NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16555 |
2adc   |
cing | 1-original | 2 | AMBER | distance | NOE | simple |
#
# 211 RC H6 211 RC H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3335,3332, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
&end
#
# 211 RC H6 211 RC H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3335,3348, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 211 RC H6 211 RC H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3335,3346, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 211 RC H6 211 RC H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3335,3329, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 211 RC H6 211 RC Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3335, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3326,3327,
&end
#
# 211 RC H5 211 RC H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3337,3348, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 211 RC H5 211 RC H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3337,3346, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 212 RU H6 212 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3366,3363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 212 RU H6 212 RU H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=3366,3378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 212 RU H6 212 RU H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3366,3376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 212 RU H6 212 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3366,3360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 212 RU H6 212 RU Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3366, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3357,3358,
&end
#
# 212 RU H6 211 RC H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3366,3348, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 212 RU H6 211 RC H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3366,3346, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 212 RU H5 212 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3368,3378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 212 RU H5 212 RU H3' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3368,3376, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 212 RU H5 212 RU H4' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3368,3360, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 212 RU H5 211 RC H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3368,3346, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 213 RC H6 213 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3396,3393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 213 RC H6 213 RC H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=3396,3409, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 213 RC H6 213 RC H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=3396,3407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 213 RC H6 213 RC H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3396,3390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 213 RC H6 213 RC Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3396, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3387,3388,
&end
#
# 213 RC H6 212 RU H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat=3396,3363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 213 RC H6 212 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3396,3360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 213 RC H5 213 RC H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3398,3393, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 213 RC H5 213 RC H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3398,3407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 213 RC H5 212 RU H1' 2.50
&rst
ixpk= 0, nxpk= 0, iat=3398,3363, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 213 RC H5 212 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3398,3360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 214 RU H6 214 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3427,3424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 214 RU H6 214 RU H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=3427,3439, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 214 RU H6 214 RU H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=3427,3437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 214 RU H6 214 RU Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3427, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3418,3419,
&end
#
# 216 RU H6 216 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3487,3484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 216 RU H6 216 RU H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=3487,3499, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 216 RU H6 216 RU H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=3487,3497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 216 RU H6 216 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3487,3481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 216 RU H6 216 RU Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3487, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3478,3479,
&end
#
# 216 RU H5 216 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3489,3499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 216 RU H5 216 RU H3' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3489,3497, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 216 RU H5 216 RU H4' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3489,3481, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 217 RC H6 217 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3517,3514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 217 RC H6 217 RC H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=3517,3530, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 217 RC H6 217 RC H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=3517,3528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 217 RC H6 216 RU H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3517,3497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 217 RC H5 217 RC H3' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3519,3528, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 217 RC H5 216 RU H1' 3.00
&rst
ixpk= 0, nxpk= 0, iat=3519,3484, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 217 RC H5 216 RU H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat=3519,3499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 217 RC H5 216 RU H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=3519,3497, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 217 RC H5 216 RU H4' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3519,3481, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 217 RC H5 216 RU Q5' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3519, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=3478,3479,
&end
#
# 217 RC H1' 218 RU Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3514, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3539,3540,
&end
#
# 217 RC Q5' 216 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3481, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3508,3509,
&end
#
# 217 RC H2' 216 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3530,3481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 218 RU H6 218 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3548,3545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 218 RU H6 218 RU H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=3548,3560, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 218 RU H6 218 RU H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=3548,3558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 218 RU H5 218 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3550,3560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 218 RU H5 218 RU H3' 7.00
&rst
ixpk= 0, nxpk= 0, iat=3550,3558, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 219 RC H6 219 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3578,3575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 219 RC H6 219 RC H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=3578,3591, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 219 RC H6 219 RC H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=3578,3589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 219 RC H5 218 RU H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3580,3558, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 219 RC H5 218 RU Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=3580, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3539,3540,
&end
#
# 220 RU H6 220 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3609,3606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 220 RU H6 220 RU H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3609,3621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 220 RU H6 220 RU H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=3609,3619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 220 RU H6 220 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3609,3603, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 220 RU H5 220 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3611,3621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 220 RU H5 220 RU H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=3611,3619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 PHE HE 32 PHE HZ 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 464, 468,
&end
#
# 32 PHE HD 32 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 462, 470,
&end
#
# 32 PHE HD 32 PHE HE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 462, 470,
igr2= 464, 468,
&end
#
# 35 PHE HE 35 PHE HD 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 522, 526,
igr2= 520, 528,
&end
#
# 38 TYR HE 38 TYR HD 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 565, 570,
igr2= 563, 572,
&end
#
# 48 PHE HD 48 PHE HE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 736, 744,
igr2= 738, 742,
&end
#
# 74 HIS HE1 74 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1125,1128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HE 107 TYR HD 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1666,1671,
igr2=1664,1673,
&end
#
# 115 PHE HD 115 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1791,1799,
&end
#
# 115 PHE HE 115 PHE HZ 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1793,1797,
&end
#
# 115 PHE HE 115 PHE HD 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1793,1797,
igr2=1791,1799,
&end
#
# 123 PHE HD 123 PHE HE 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1923,1931,
igr2=1925,1929,
&end
#
# 127 PHE HE 127 PHE HD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1995,1999,
igr2=1993,2001,
&end
#
# 151 PHE HE 151 PHE HD 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2361,2365,
igr2=2359,2367,
&end
#
# 161 PHE HD 161 PHE HZ 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2490,2498,
&end
#
# 161 PHE HE 161 PHE HZ 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2492,2496,
&end
#
# 161 PHE HE 161 PHE HD 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2492,2496,
igr2=2490,2498,
&end
#
# 163 PHE HE 163 PHE HZ 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2534,2538,
&end
#
# 163 PHE HE 163 PHE HD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2534,2538,
igr2=2532,2540,
&end
#
# 164 PHE HE 164 PHE HD 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2554,2558,
igr2=2552,2560,
&end
#
# 203 PHE HD 203 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3177, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3173,3181,
&end
#
# 203 PHE HE 203 PHE HZ 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,3177, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=3175,3179,
&end
#
# 203 PHE HE 203 PHE HD 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=3175,3179,
igr2=3173,3181,
&end
#
# 43 ARG+ HA 107 TYR HD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1664,1673,
&end
#
# 127 PHE HA 127 PHE HD 4.40
&rst
ixpk= 0, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1993,2001,
&end
#
# 203 PHE HA 203 PHE HD 4.46
&rst
ixpk= 0, nxpk= 0, iat=3167, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=3173,3181,
&end
#
# 203 PHE HN 203 PHE HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=3165,3167, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 161 PHE HD 173 ILE HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2709, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2490,2498,
&end
#
# 198 HIS HA 198 HIS HD2 5.29
&rst
ixpk= 0, nxpk= 0, iat=3080,3091, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 127 PHE HD 204 SER HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,3187, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1993,2001,
&end
#
# 134 HIS HA 134 HIS HD2 5.29
&rst
ixpk= 0, nxpk= 0, iat=2089,2100, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 164 PHE HE 171 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2680, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2554,2558,
&end
#
# 164 PHE HD 171 ALA HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2680, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2552,2560,
&end
#
# 163 PHE HA 163 PHE HD 4.48
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2532,2540,
&end
#
# 143 SER HA 163 PHE HZ 5.46
&rst
ixpk= 0, nxpk= 0, iat=2224,2536, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 197 HIS HA 198 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3063,3091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 187 ASP- HA 188 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2917,2927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 HIS HA 113 HIS HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1744,1755, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 130 SER HN 130 SER HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=2033,2035, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 48 PHE HD 49 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 736, 744,
&end
#
# 115 PHE HA 115 PHE HD 5.14
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1791,1799,
&end
#
# 137 ASN HA 137 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2136,2143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HA 74 HIS HD2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1117,1128, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 31 LEU HA 35 PHE HD 5.16
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 520, 528,
&end
#
# 31 LEU HN 31 LEU HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 155 GLY HN 155 GLY HA3 3.83
&rst
ixpk= 0, nxpk= 0, iat=2407,2410, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 158 VAL HA 175 MET HA 4.08
&rst
ixpk= 0, nxpk= 0, iat=2439,2745, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 161 PHE HD 162 LYS+ HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2490,2498,
&end
#
# 161 PHE HE 162 LYS+ HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2492,2496,
&end
#
# 71 LEU HA 74 HIS HD2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1077,1128, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 140 PRO HA 141 SER HN 5.17
&rst
ixpk= 0, nxpk= 0, iat=2191,2195, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 164 PHE HA 164 PHE HD 4.91
&rst
ixpk= 0, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2552,2560,
&end
#
# 77 HIS HA 77 HIS HD2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1175,1186, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 38 TYR HA 38 TYR HD 4.78
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 563, 572,
&end
#
# 38 TYR HN 38 TYR HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 29 GLN HA 32 PHE HD 5.29
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 462, 470,
&end
#
# 29 GLN HN 29 GLN HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 407, 409, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 118 PRO HA 119 GLY HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1857,1861, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 118 PRO HA 123 PHE HE 5.05
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1925,1929,
&end
#
# 123 PHE HA 123 PHE HD 4.63
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1923,1931,
&end
#
# 196 ASN HA 198 HIS HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat=3049,3091, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 130 SER HN 130 SER HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat=2033,2038, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 147 LEU HA 151 PHE HD 5.40
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2359,2367,
&end
#
# 120 SER HB3 123 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1925,1929,
&end
#
# 134 HIS HE1 136 SER HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat=2097,2128, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 26 VAL HA 77 HIS HE1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 365,1183, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 66 LEU HA 70 HIS HD2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1003,1071, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 34 LEU HA 37 VAL HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 495, 539, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 35 PHE HA 38 TYR HD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 563, 572,
&end
#
# 34 LEU HA 38 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 565, 570,
&end
#
# 35 PHE HA 35 PHE HD 4.93
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 520, 528,
&end
#
# 111 PRO HD3 112 LEU HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=1711,1723, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 127 PHE HD 128 PRO HD3 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1993,2001,
&end
#
# 32 PHE HA 32 PHE HD 4.93
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 462, 470,
&end
#
# 192 ASP- HA 198 HIS HD2 5.30
&rst
ixpk= 0, nxpk= 0, iat=2996,3091, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 PHE HA 48 PHE HD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 736, 744,
&end
#
# 115 PHE HZ 126 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1795,1968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HA 151 PHE HD 4.70
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2359,2367,
&end
#
# 127 PHE HD 128 PRO HD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2006, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1993,2001,
&end
#
# 69 SER HB3 70 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 182 VAL HA 203 PHE HE 4.93
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=3175,3179,
&end
#
# 182 VAL HA 203 PHE HZ 5.12
&rst
ixpk= 0, nxpk= 0, iat=2836,3177, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 164 PHE HB3 164 PHE HD 5.36
&rst
ixpk= 0, nxpk= 0, iat=2549, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2552,2560,
&end
#
# 36 GLY HA2 37 VAL HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 534, 539, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 191 HIS HB3 191 HIS HD2 5.19
&rst
ixpk= 0, nxpk= 0, iat=2982,2990, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 67 ALA HA 70 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 TYR HD 67 ALA HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 563, 572,
&end
#
# 203 PHE HB3 203 PHE HD 4.86
&rst
ixpk= 0, nxpk= 0, iat=3170, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=3173,3181,
&end
#
# 127 PHE HB3 127 PHE HD 4.65
&rst
ixpk= 0, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1993,2001,
&end
#
# 37 VAL HA 115 PHE HE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1793,1797,
&end
#
# 37 VAL HA 115 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1791,1799,
&end
#
# 37 VAL HA 115 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 541,1795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE HB3 49 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 733, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 HIS HB3 113 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1747,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HB3 35 PHE HD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 520, 528,
&end
#
# 48 PHE HB3 48 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 738, 742,
&end
#
# 48 PHE HB3 48 PHE HD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 736, 744,
&end
#
# 163 PHE HB3 163 PHE HD 4.58
&rst
ixpk= 0, nxpk= 0, iat=2529, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2532,2540,
&end
#
# 107 TYR HB3 107 TYR HD 4.89
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1664,1673,
&end
#
# 123 PHE HB3 123 PHE HD 4.65
&rst
ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1923,1931,
&end
#
# 189 HIS HB3 189 HIS HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat=2951,2959, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 38 TYR HB3 38 TYR HD 4.98
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 563, 572,
&end
#
# 144 GLU- HA 163 PHE HE 5.16
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2534,2538,
&end
#
# 144 GLU- HA 161 PHE HE 5.07
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2492,2496,
&end
#
# 62 ASN HND1 63 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 952, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HB3 74 HIS HD2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1120,1128, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 115 PHE HB3 123 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1788,1927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 PHE HB3 115 PHE HD 4.94
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1791,1799,
&end
#
# 115 PHE HB3 123 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1925,1929,
&end
#
# 123 PHE HB2 123 PHE HD 4.67
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1923,1931,
&end
#
# 77 HIS HB2 77 HIS HD2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1177,1186, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 189 HIS HB2 189 HIS HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2950,2959, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 113 HIS HB2 113 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1746,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN HB3 62 ASN HND1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 948, 952, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 164 PHE HB2 164 PHE HD 5.08
&rst
ixpk= 0, nxpk= 0, iat=2548, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2552,2560,
&end
#
# 151 PHE HB3 151 PHE HD 4.67
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2359,2367,
&end
#
# 198 HIS HB3 198 HIS HD2 5.23
&rst
ixpk= 0, nxpk= 0, iat=3083,3091, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 48 PHE HB2 48 PHE HD 4.66
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 736, 744,
&end
#
# 60 ASP- HN 60 ASP- HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 924, 928, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 62 ASN HB2 62 ASN HND1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 947, 952, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 163 PHE HB2 163 PHE HD 4.47
&rst
ixpk= 0, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2532,2540,
&end
#
# 53 ASN HA 53 ASN HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 823, 826, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 32 PHE HB2 32 PHE HD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 462, 470,
&end
#
# 88 HIS HB2 88 HIS HD2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1365,1374, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 32 PHE HB2 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1666,1671,
&end
#
# 161 PHE HB3 161 PHE HD 4.61
&rst
ixpk= 0, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=2490,2498,
&end
#
# 35 PHE HB2 35 PHE HD 5.06
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 520, 528,
&end
#
# 203 PHE HB2 203 PHE HD 4.97
&rst
ixpk= 0, nxpk= 0, iat=3169, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=3173,3181,
&end
#
# 161 PHE HB2 161 PHE HD 4.48
&rst
ixpk= 0, nxpk= 0, iat=2486, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2490,2498,
&end
#
# 115 PHE HB2 115 PHE HD 5.25
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1791,1799,
&end
#
# 175 MET HB3 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2748,2824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET HA 175 MET HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat=2745,2748, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 134 HIS HB3 134 HIS HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat=2092,2100, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 198 HIS HB2 198 HIS HD2 5.39
&rst
ixpk= 0, nxpk= 0, iat=3082,3091, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 107 TYR HB2 107 TYR HD 4.91
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1664,1673,
&end
#
# 38 TYR HD 70 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 572,
&end
#
# 53 ASN HA 53 ASN HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 823, 825, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 38 TYR HB2 38 TYR HD 5.10
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 563, 572,
&end
#
# 127 PHE HB2 127 PHE HD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1993,2001,
&end
#
# 175 MET QG 181 ALA HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2750,2751,
&end
#
# 175 MET HA 175 MET QG 5.27
&rst
ixpk= 0, nxpk= 0, iat=2745, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2750,2751,
&end
#
# 68 MET HN 68 MET HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat=1030,1035, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 32 PHE HD 41 VAL HB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 462, 470,
&end
#
# 105 LYS+ HD3 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1666,1671,
&end
#
# 175 MET HA 175 MET QE 5.09
&rst
ixpk= 0, nxpk= 0, iat=2745, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2754,2755,2756,
&end
#
# 189 HIS HE1 200 ARG+ HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat=2956,3122, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 192 ASP- HB2 198 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2998,3091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HD 33 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 462, 470,
&end
#
# 31 LEU HN 31 LEU HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 44 VAL HB 107 TYR HE 4.48
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1666,1671,
&end
#
# 66 LEU HB3 70 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1006,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HB3 35 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 528,
&end
#
# 177 SER HN 180 GLU- QB 5.26
&rst
ixpk= 0, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2813,2814,
&end
#
# 180 GLU- HN 180 GLU- QB 5.08
&rst
ixpk= 0, nxpk= 0, iat=2809, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2813,2814,
&end
#
# 32 PHE HD 33 ILE QG1 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 462, 470,
igr2= 484, 485,
&end
#
# 175 MET HA 181 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2745, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2828,2829,2830,
&end
#
# 38 TYR HD 70 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 572,
&end
#
# 70 HIS HB2 70 HIS HD2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1062,1071, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 38 TYR HE 70 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 565, 570,
&end
#
# 31 LEU HN 31 LEU HG 5.01
&rst
ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 37 VAL HB 203 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3175,3179,
&end
#
# 43 ARG+ HN 43 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 PHE HD 173 ILE HG13 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2718, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2490,2498,
&end
#
# 150 LEU HB3 151 PHE HD 5.15
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2359,2367,
&end
#
# 144 GLU- HB2 163 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2534,2538,
&end
#
# 32 PHE HE 112 LEU QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 464, 468,
igr2=1727,1728,
&end
#
# 144 GLU- HB2 161 PHE HE 5.33
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2492,2496,
&end
#
# 32 PHE HZ 112 LEU QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1727,1728,
&end
#
# 35 PHE HE 83 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 522, 526,
&end
#
# 191 HIS HD2 193 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2990, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3010,3011,
&end
#
# 189 HIS HE1 200 ARG+ HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat=2956,3118, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 160 GLY HN 174 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HB3 35 PHE HE 5.35
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 522, 526,
&end
#
# 144 GLU- HG3 161 PHE HE 5.48
&rst
ixpk= 0, nxpk= 0, iat=2241, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2492,2496,
&end
#
# 147 LEU HN 147 LEU HG 5.26
&rst
ixpk= 0, nxpk= 0, iat=2275,2282, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 151 PHE HE 184 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2361,2365,
igr2=2871,2872,2873,
&end
#
# 105 LYS+ HG3 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1666,1671,
&end
#
# 34 LEU HB2 38 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 563, 572,
&end
#
# 161 PHE HD 162 LYS+ QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2490,2498,
igr2=2506,2507,
&end
#
# 147 LEU HN 147 LEU HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=2275,2280, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 147 LEU HB3 161 PHE HE 5.21
&rst
ixpk= 0, nxpk= 0, iat=2280, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2492,2496,
&end
#
# 189 HIS HE1 200 ARG+ HG2 5.05
&rst
ixpk= 0, nxpk= 0, iat=2956,3121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 35 PHE HD 67 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 520, 528,
igr2=1024,1025,1026,
&end
#
# 35 PHE HE 67 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 522, 526,
igr2=1024,1025,1026,
&end
#
# 38 TYR HD 67 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 563, 572,
igr2=1024,1025,1026,
&end
#
# 115 PHE HZ 126 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1795,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HZ 112 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HE 205 LYS+ QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1995,1999,
igr2=3206,3207,
&end
#
# 127 PHE HD 205 LYS+ QD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1993,2001,
igr2=3206,3207,
&end
#
# 129 PRO HA 203 PHE HD 5.49
&rst
ixpk= 0, nxpk= 0, iat=2029, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=3173,3181,
&end
#
# 129 PRO HA 203 PHE HE 5.32
&rst
ixpk= 0, nxpk= 0, iat=2029, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=3175,3179,
&end
#
# 164 PHE HE 172 LEU HG 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2554,2558,
&end
#
# 164 PHE HD 172 LEU HG 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2552,2560,
&end
#
# 134 HIS HD2 172 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2100,2695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HG 38 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 565, 570,
&end
#
# 105 LYS+ HB3 107 TYR HE 4.86
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1666,1671,
&end
#
# 144 GLU- HG2 163 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2532,2540,
&end
#
# 150 LEU HG 151 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2361,2365,
&end
#
# 164 PHE HE 172 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2693, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2554,2558,
&end
#
# 31 LEU HB2 35 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 528,
&end
#
# 38 TYR HD 71 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 572,
&end
#
# 35 PHE HE 71 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 522, 526,
&end
#
# 182 VAL QG2 203 PHE HE 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2844,2845,2846,
igr2=3175,3179,
&end
#
# 182 VAL QG2 203 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2844,2845,2846,
igr2=3173,3181,
&end
#
# 182 VAL QG2 203 PHE HZ 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,3177, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2844,2845,2846,
&end
#
# 74 HIS HD2 182 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2844,2845,2846,
&end
#
# 44 VAL QG2 107 TYR HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 662, 663, 664,
igr2=1664,1673,
&end
#
# 44 VAL QG2 107 TYR HE 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 662, 663, 664,
igr2=1666,1671,
&end
#
# 161 PHE HD 173 ILE HB 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2490,2498,
&end
#
# 127 PHE HD 205 LYS+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1993,2001,
&end
#
# 127 PHE HE 205 LYS+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1995,1999,
&end
#
# 16 LEU HG 35 PHE HE 4.05
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 522, 526,
&end
#
# 16 LEU HG 35 PHE HD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 520, 528,
&end
#
# 138 ILE QG2 163 PHE HE 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=2154,2155,2156,
igr2=2534,2538,
&end
#
# 138 ILE QG2 163 PHE HZ 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2154,2155,2156,
&end
#
# 191 HIS HD2 193 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat=2990, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=3019,3020,3021,
&end
#
# 151 PHE HZ 201 VAL QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=3148,3149,3150,
&end
#
# 16 LEU QD2 35 PHE HE 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 211, 212, 213,
igr2= 522, 526,
&end
#
# 66 LEU QD2 70 HIS HE1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1014,1015,1016,
&end
#
# 74 HIS HD2 182 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2840,2841,2842,
&end
#
# 38 TYR HD 66 LEU QD2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 563, 572,
igr2=1014,1015,1016,
&end
#
# 66 LEU QD2 70 HIS HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1014,1015,1016,
&end
#
# 34 LEU QD2 38 TYR HE 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 506, 507, 508,
igr2= 565, 570,
&end
#
# 182 VAL QG1 203 PHE HE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=2840,2841,2842,
igr2=3175,3179,
&end
#
# 182 VAL QG1 203 PHE HZ 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,3177, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2840,2841,2842,
&end
#
# 191 HIS HD2 193 LEU QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat=2990, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=3015,3016,3017,
&end
#
# 34 LEU QD2 38 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 506, 507, 508,
igr2= 563, 572,
&end
#
# 133 LEU QD2 203 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2081,2082,2083,
igr2=3173,3181,
&end
#
# 164 PHE HE 172 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2554,2558,
igr2=2701,2702,2703,
&end
#
# 134 HIS HD2 172 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2701,2702,2703,
&end
#
# 152 SER HN 158 VAL QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat=2371, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2447,2448,2449,
&end
#
# 24 GLU- HN 26 VAL QG1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 369, 370, 371,
&end
#
# 205 LYS+ HN 205 LYS+ QG 4.72
&rst
ixpk= 0, nxpk= 0, iat=3196, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=3203,3204,
&end
#
# 66 LEU QD1 70 HIS HD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1010,1011,1012,
&end
#
# 127 PHE HE 205 LYS+ QG 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1995,1999,
igr2=3203,3204,
&end
#
# 41 VAL QG1 107 TYR HD 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 601, 602, 603,
igr2=1664,1673,
&end
#
# 32 PHE HD 41 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 462, 470,
igr2= 601, 602, 603,
&end
#
# 32 PHE HZ 112 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1736,1737,1738,
&end
#
# 41 VAL QG1 107 TYR HE 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 601, 602, 603,
igr2=1666,1671,
&end
#
# 32 PHE HE 112 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 464, 468,
igr2=1736,1737,1738,
&end
#
# 147 LEU QD2 151 PHE HE 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2288,2289,2290,
igr2=2361,2365,
&end
#
# 147 LEU QD2 161 PHE HE 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2288,2289,2290,
igr2=2492,2496,
&end
#
# 147 LEU QD2 161 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2288,2289,2290,
&end
#
# 149 VAL QG1 153 SER HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2322,2323,2324,
&end
#
# 33 ILE QG2 189 HIS HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 480, 481, 482,
&end
#
# 133 LEU QD1 203 PHE HD 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2077,2078,2079,
igr2=3173,3181,
&end
#
# 161 PHE HD 173 ILE HG12 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2490,2498,
&end
#
# 147 LEU HN 147 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2284,2285,2286,
&end
#
# 147 LEU QD1 163 PHE HZ 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2284,2285,2286,
&end
#
# 147 LEU QD1 161 PHE HE 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2284,2285,2286,
igr2=2492,2496,
&end
#
# 147 LEU QD1 161 PHE HZ 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2284,2285,2286,
&end
#
# 34 LEU QD1 74 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 502, 503, 504,
&end
#
# 37 VAL QG2 203 PHE HE 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 549, 550, 551,
igr2=3175,3179,
&end
#
# 38 TYR HE 126 ILE QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 565, 570,
igr2=1972,1973,1974,
&end
#
# 38 TYR HD 126 ILE QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 563, 572,
igr2=1972,1973,1974,
&end
#
# 18 VAL QG1 35 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 242, 243, 244,
igr2= 520, 528,
&end
#
# 18 VAL QG1 35 PHE HE 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 242, 243, 244,
igr2= 522, 526,
&end
#
# 138 ILE QD1 163 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2161,2162,2163,
&end
#
# 138 ILE QD1 163 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2161,2162,2163,
igr2=2532,2540,
&end
#
# 138 ILE QD1 163 PHE HE 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=2161,2162,2163,
igr2=2534,2538,
&end
#
# 163 PHE HD 171 ALA QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2532,2540,
igr2=2682,2683,2684,
&end
#
# 161 PHE HZ 171 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2682,2683,2684,
&end
#
# 164 PHE HD 171 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=2552,2560,
igr2=2682,2683,2684,
&end
#
# 71 LEU QD2 74 HIS HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1088,1089,1090,
&end
#
# 38 TYR HE 71 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 565, 570,
igr2=1088,1089,1090,
&end
#
# 35 PHE HD 56 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 520, 528,
igr2= 874, 875, 876,
&end
#
# 123 PHE HE 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1925,1929,
igr2=1979,1980,1981,
&end
#
# 123 PHE HD 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1923,1931,
igr2=1979,1980,1981,
&end
#
# 31 LEU QD1 35 PHE HE 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 444, 445, 446,
igr2= 522, 526,
&end
#
# 138 ILE QG1 163 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2158,2159,
igr2=2534,2538,
&end
#
# 135 LEU QD1 151 PHE HE 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=2113,2114,2115,
igr2=2361,2365,
&end
#
# 135 LEU QD1 161 PHE HE 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=2113,2114,2115,
igr2=2492,2496,
&end
#
# 150 LEU QD2 191 HIS HD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2990, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2345,2346,2347,
&end
#
# 161 PHE HE 163 PHE HD 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2492,2496,
igr2=2532,2540,
&end
#
# 161 PHE HZ 163 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2532,2540,
&end
#
# 161 PHE HZ 163 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2534,2538,
&end
#
# 161 PHE HZ 163 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=2494,2536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 PHE HD 172 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2552,2560,
&end
#
# 35 PHE HN 35 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 522, 526,
&end
#
# 164 PHE HE 172 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2554,2558,
&end
#
# 120 SER HN 123 PHE HD 5.16
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1923,1931,
&end
#
# 161 PHE HE 163 PHE HE 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2492,2496,
igr2=2534,2538,
&end
#
# 115 PHE HD 123 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1791,1799,
igr2=1925,1929,
&end
#
# 32 PHE HE 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 464, 468,
igr2=1666,1671,
&end
#
# 32 PHE HE 107 TYR HD 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 464, 468,
igr2=1664,1673,
&end
#
# 17 LEU HN 85 LEU HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 217,1311, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 28 PRO HA 32 PHE HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 403, 454, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 16 LEU HN 16 LEU HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 198, 203, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 16 LEU HB3 56 VAL HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 203, 864, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 16 LEU HN 16 LEU HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 16 LEU HG 17 LEU HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 205, 217, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 17 LEU HN 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 858, 859, 860,
&end
#
# 17 LEU HN 17 LEU HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 217, 221, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 133 LEU QD1 202 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2077,2078,2079,
&end
#
# 17 LEU QD2 19 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 79 LYS+ HB2 81 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HN 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 151 PHE HN 173 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2720,2721,2722,
&end
#
# 188 LEU QD2 191 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 151 PHE HD 173 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2359,2367,
igr2=2720,2721,2722,
&end
#
# 37 VAL QG1 203 PHE HD 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 545, 546, 547,
igr2=3173,3181,
&end
#
# 151 PHE HD 188 LEU QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=2359,2367,
igr2=2936,2937,2938,
&end
#
# 150 LEU QD1 191 HIS HD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2990, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2341,2342,2343,
&end
#
# 185 LEU QD2 203 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3177, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD2 189 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 161 PHE HD 173 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2490,2498,
igr2=2720,2721,2722,
&end
#
# 151 PHE HE 173 ILE QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2361,2365,
igr2=2713,2714,2715,
&end
#
# 161 PHE HE 173 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2492,2496,
igr2=2720,2721,2722,
&end
#
# 37 VAL HN 37 VAL QG1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 545, 546, 547,
&end
#
# 37 VAL QG1 203 PHE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 545, 546, 547,
&end
#
# 38 TYR HD 71 LEU QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 563, 572,
igr2=1084,1085,1086,
&end
#
# 38 TYR HE 71 LEU QD1 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 565, 570,
igr2=1084,1085,1086,
&end
#
# 71 LEU QD1 74 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1085,1086,
&end
#
# 185 LEU QD1 203 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3177, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 151 PHE HE 188 LEU QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=2361,2365,
igr2=2936,2937,2938,
&end
#
# 13 ASN HB2 13 ASN HND2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 161, 167, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 13 ASN HB3 13 ASN HND2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 162, 167, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 13 ASN HB3 13 ASN HND1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 13 ASN HB2 13 ASN HND1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 161, 166, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 13 ASN HA 14 SER HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 159, 171, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 SER HN 14 SER HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 171, 173, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 15 VAL HN 15 VAL QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 188, 189, 190,
&end
#
# 15 VAL QG2 16 LEU HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 192, 193, 194,
&end
#
# 16 LEU HA 16 LEU QD2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 211, 212, 213,
&end
#
# 17 LEU HN 17 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU QD1 17 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 207, 208, 209,
&end
#
# 19 SER HN 19 SER HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 252, 257, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 19 SER HN 19 SER HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 252, 256, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 20 ASN HN 20 ASN HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 263, 265, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 20 ASN HB3 20 ASN HND2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 20 ASN HA 21 LEU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 265, 277, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 22 ASN HN 22 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 296, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HA 22 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HA 22 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HA 23 PRO HD3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 298, 312, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 22 ASN HA 23 PRO HD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 298, 311, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 24 GLU- HN 24 GLU- HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 25 ARG+ HA 26 VAL HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 341, 363, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 26 VAL HN 26 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 369, 370, 371,
&end
#
# 26 VAL HA 27 THR HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 365, 379, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 26 VAL QG2 27 THR HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 373, 374, 375,
&end
#
# 29 GLN HA 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HN 31 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HN 31 LEU QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 448, 449, 450,
&end
#
# 32 PHE HD 32 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 462, 470,
&end
#
# 33 ILE HN 33 ILE QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 480, 481, 482,
&end
#
# 34 LEU HA 35 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 495, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HN 37 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 549, 550, 551,
&end
#
# 37 VAL HA 37 VAL QG1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 545, 546, 547,
&end
#
# 37 VAL HA 37 VAL QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 549, 550, 551,
&end
#
# 37 VAL QG2 38 TYR HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 549, 550, 551,
&end
#
# 40 ASP- HA 41 VAL HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 585, 595, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 41 VAL HA 42 GLN HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 597, 611, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 43 ARG+ QB 43 ARG+ HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 632, 633,
&end
#
# 43 ARG+ QB 43 ARG+ HD3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 632, 633,
&end
#
# 44 VAL HA 45 LYS+ HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 654, 668, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 46 ILE HN 46 ILE HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 690, 692, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 46 ILE HA 47 LEU HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 692, 709, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 47 LEU HN 47 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 722, 723, 724,
&end
#
# 47 LEU HA 48 PHE HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 711, 728, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 91 VAL HN 91 VAL QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1419,1420,1421,
&end
#
# 54 ALA HN 54 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 839, 840, 841,
&end
#
# 53 ASN HB3 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 826, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HA 53 ASN HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 808, 821, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 51 LYS+ HN 51 LYS+ HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 784, 786, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 50 LYS+ HN 50 LYS+ HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 762, 764, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 46 ILE HA 55 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ALA QB 55 LEU HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 839, 840, 841,
&end
#
# 55 LEU HA 55 LEU QD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 858, 859, 860,
&end
#
# 55 LEU QD2 56 VAL HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 858, 859, 860,
&end
#
# 56 VAL HN 56 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 870, 871, 872,
&end
#
# 56 VAL HN 56 VAL HB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 864, 868, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 57 GLN HN 57 GLN HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 58 MET HN 58 MET HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 897, 899, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 62 ASN HN 62 ASN HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 62 ASN HB2 63 GLN HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 947, 957, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 65 GLN HN 65 GLN QG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 991, 992,
&end
#
# 65 GLN QG 65 GLN HNE2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 991, 992,
&end
#
# 66 LEU HA 66 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1010,1011,1012,
&end
#
# 66 LEU HA 67 ALA HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1003,1020, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 67 ALA HN 67 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1024,1025,1026,
&end
#
# 68 MET HN 68 MET QE 5.03
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1041,1042,1043,
&end
#
# 68 MET HB2 69 SER HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1034,1047, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 70 HIS HB3 70 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1063,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HB2 72 ASN HND1 5.42
&rst
ixpk= 0, nxpk= 0, iat=1098,1103, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 73 GLY HA2 74 HIS HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 74 HIS HN 74 HIS HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 74 HIS HB2 74 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1119,1128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HG 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU QD1 77 HIS HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1163,1164,1165,
&end
#
# 79 LYS+ HN 80 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1197,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 ILE HN 81 ILE HA 5.25
&rst
ixpk= 0, nxpk= 0, iat=1233,1235, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 81 ILE QG2 82 ARG+ HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1239,1240,1241,
&end
#
# 20 ASN HB2 82 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 267,1252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HB3 82 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 268,1252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG+ HA 82 ARG+ QD 5.47
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1262,1263,
&end
#
# 82 ARG+ HA 83 ILE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1254,1276, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 82 ARG+ HB3 83 ILE HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1257,1276, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 82 ARG+ HG3 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HA 83 ILE QG2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1282,1283,1284,
&end
#
# 84 THR HN 84 THR HB 5.38
&rst
ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 83 ILE QG2 84 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1282,1283,1284,
&end
#
# 84 THR HA 84 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1301,1302,1303,
&end
#
# 84 THR HN 84 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1301,1302,1303,
&end
#
# 84 THR QG2 85 LEU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1301,1302,1303,
&end
#
# 85 LEU QB 86 SER HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1313,1314,
&end
#
# 89 GLN HN 89 GLN HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=1378,1380, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 90 ASN QB 91 VAL HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1399,1400,
&end
#
# 91 VAL HN 91 VAL HB 5.22
&rst
ixpk= 0, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 91 VAL HB 92 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1413,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HN 92 GLN HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1425,1429, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 92 GLN HN 92 GLN HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 92 GLN HN 92 GLN HG2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 91 VAL QG2 92 GLN HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1419,1420,1421,
&end
#
# 92 GLN HA 93 LEU HN 4.19
&rst
ixpk= 0, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 92 GLN HG3 93 LEU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1433,1442, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 92 GLN HB3 93 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1430,1442, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 93 LEU HN 93 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1451,1452,1453,
&end
#
# 95 ARG+ QG 96 GLU- HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1482,1483,
&end
#
# 95 ARG+ HN 95 ARG+ HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1475,1479, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 95 ARG+ HN 95 ARG+ HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat=1475,1480, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 94 PRO HB3 95 ARG+ HN 5.07
&rst
ixpk= 0, nxpk= 0, iat=1469,1475, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 98 GLN HB3 99 GLU- HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1526,1538, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 101 GLN HN 101 GLN HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=1565,1567, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 101 GLN HN 101 GLN QB 5.27
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1569,1570,
&end
#
# 104 THR HA 105 LYS+ HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=1610,1622, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 104 THR QG2 105 LYS+ HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1614,1615,1616,
&end
#
# 105 LYS+ HA 106 ASP- HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=1624,1644, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 110 SER HN 110 SER HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 112 LEU HN 112 LEU HG 4.73
&rst
ixpk= 0, nxpk= 0, iat=1723,1730, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 119 GLY HN 119 GLY HA2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1861,1863, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 125 ASN HN 125 ASN HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1952,1954, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 125 ASN HN 125 ASN HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat=1952,1957, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 126 ILE HN 126 ILE HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1966,1968, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 126 ILE HN 126 ILE QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1972,1973,1974,
&end
#
# 126 ILE HN 126 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1966,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HA 127 PHE HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=1968,1985, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 126 ILE QG2 127 PHE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1972,1973,1974,
&end
#
# 127 PHE HN 128 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985,2006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HN 130 SER HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat=2033,2037, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 133 LEU HN 133 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HN 135 LEU HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=2104,2106, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 135 LEU HN 135 LEU QD2 5.46
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2117,2118,2119,
&end
#
# 135 LEU HA 135 LEU QD2 5.08
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2117,2118,2119,
&end
#
# 135 LEU HA 135 LEU QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2113,2114,2115,
&end
#
# 135 LEU HA 136 SER HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=2106,2123, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 136 SER HA 136 SER HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat=2125,2128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 135 LEU QD2 136 SER HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2117,2118,2119,
&end
#
# 136 SER HB3 137 ASN HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=2128,2134, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 137 ASN HN 137 ASN HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=2134,2136, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 141 SER HN 141 SER HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat=2195,2199, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 141 SER HN 141 SER HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat=2195,2200, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 141 SER HN 141 SER HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=2195,2197, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 140 PRO HB3 141 SER HN 5.42
&rst
ixpk= 0, nxpk= 0, iat=2189,2195, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 142 VAL HN 142 VAL HB 4.56
&rst
ixpk= 0, nxpk= 0, iat=2206,2210, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 143 SER HA 144 GLU- HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=2224,2233, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 145 GLU- HN 145 GLU- HA 4.34
&rst
ixpk= 0, nxpk= 0, iat=2248,2250, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 144 GLU- HB2 145 GLU- HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=2237,2248, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 144 GLU- HB3 145 GLU- HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=2238,2248, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 146 ASP- HN 146 ASP- HA 4.47
&rst
ixpk= 0, nxpk= 0, iat=2263,2265, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 145 GLU- HG3 146 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2256,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 GLU- HG2 146 ASP- HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=2255,2263, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 146 ASP- HA 147 LEU HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=2265,2275, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 147 LEU HA 148 LYS+ HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=2277,2294, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 147 LEU HB2 148 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2279,2294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HN 149 VAL HA 4.61
&rst
ixpk= 0, nxpk= 0, iat=2316,2318, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 149 VAL HN 149 VAL HB 4.26
&rst
ixpk= 0, nxpk= 0, iat=2316,2320, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 149 VAL HN 149 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2326,2327,2328,
&end
#
# 150 LEU HN 150 LEU HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=2332,2334, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 149 VAL HA 150 LEU HN 5.25
&rst
ixpk= 0, nxpk= 0, iat=2318,2332, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 150 LEU HN 150 LEU HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat=2332,2336, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 150 LEU HN 150 LEU QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2341,2342,2343,
&end
#
# 152 SER HB2 153 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2375,2382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 153 SER HA 154 ASN HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=2384,2393, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 156 GLY HA3 157 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=2417,2421, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 158 VAL QG1 159 LYS+ HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=2443,2444,2445,
&end
#
# 157 VAL QG1 158 VAL HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2437, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2427,2428,2429,
&end
#
# 158 VAL HA 159 LYS+ HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=2439,2453, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 159 LYS+ HB3 160 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2458,2475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HB2 160 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2457,2475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HG3 160 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2461,2475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HN 162 LYS+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502,2510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HA 163 PHE HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=2504,2524, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 162 LYS+ HG2 163 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2509,2524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HG3 163 PHE HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=2510,2524, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 168 ARG+ HA 169 LYS+ HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=2617,2639, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 168 ARG+ HN 168 ARG+ HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2615,2617, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 171 ALA HN 171 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat=2678, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2682,2683,2684,
&end
#
# 134 HIS HA 173 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU QD2 173 ILE HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2701,2702,2703,
&end
#
# 177 SER HA 177 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2769,2771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 177 SER HA 177 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2769,2772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 177 SER HA 178 VAL HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=2769,2778, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 178 VAL HN 178 VAL QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat=2778, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2788,2789,2790,
&end
#
# 178 VAL HA 178 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=2780, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2788,2789,2790,
&end
#
# 178 VAL HA 178 VAL QG1 4.54
&rst
ixpk= 0, nxpk= 0, iat=2780, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2784,2785,2786,
&end
#
# 178 VAL HB 179 GLU- HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=2782,2794, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 179 GLU- HN 179 GLU- HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat=2794,2799, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 179 GLU- HN 179 GLU- HG3 5.36
&rst
ixpk= 0, nxpk= 0, iat=2794,2802, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 180 GLU- HN 180 GLU- HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2809,2811, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 180 GLU- HA 181 ALA HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=2811,2824, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 181 ALA HN 181 ALA HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=2824,2826, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 181 ALA HN 181 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2828,2829,2830,
&end
#
# 180 GLU- QB 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2813,2814,
&end
#
# 182 VAL HN 182 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2844,2845,2846,
&end
#
# 182 VAL QG2 183 GLN HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2850, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2844,2845,2846,
&end
#
# 183 GLN HA 184 ALA HN 5.28
&rst
ixpk= 0, nxpk= 0, iat=2852,2867, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 184 ALA HN 184 ALA HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=2867,2869, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 182 VAL HA 185 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2836,2877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 184 ALA HA 185 LEU HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=2869,2877, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 185 LEU HN 185 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2890,2891,2892,
&end
#
# 183 GLN HA 186 ILE HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=2852,2896, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 185 LEU HG 186 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2884,2896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 186 ILE HA 187 ASP- HN 5.41
&rst
ixpk= 0, nxpk= 0, iat=2898,2915, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 184 ALA HA 187 ASP- HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=2869,2915, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 188 LEU HN 188 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2927,2931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU HN 188 LEU QD2 5.22
&rst
ixpk= 0, nxpk= 0, iat=2927, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2940,2941,2942,
&end
#
# 189 HIS HN 189 HIS HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=2946,2948, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 190 ASN HN 190 ASN HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=2963,2965, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 190 ASN HA 191 HIS HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=2965,2977, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 192 ASP- HA 193 LEU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=2996,3006, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 193 LEU HN 193 LEU HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=3006,3008, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 193 LEU HA 194 GLY HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=3008,3025, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 196 ASN HB2 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3051,3061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU QD1 200 ARG+ HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,3114, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=3104,3105,3106,
&end
#
# 199 LEU HA 200 ARG+ HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=3097,3114, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 200 ARG+ HA 201 VAL HN 5.06
&rst
ixpk= 0, nxpk= 0, iat=3116,3138, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 202 SER HA 203 PHE HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=3156,3165, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 202 SER HB3 203 PHE HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=3159,3165, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 185 LEU QD1 203 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2886,2887,2888,
igr2=3175,3179,
&end
#
# 203 PHE HB3 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3170,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 207 THR HB 208 ILE HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=3233,3243, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 208 ILE HN 208 ILE HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=3243,3245, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 208 ILE HN 208 ILE HB 4.10
&rst
ixpk= 0, nxpk= 0, iat=3243,3247, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 207 THR QG2 208 ILE HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,3243, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=3235,3236,3237,
&end
#
# 53 ASN HB3 53 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HB3 49 ASN HND1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 753, 757, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 138 ILE HA 138 ILE HB 5.14
&rst
ixpk= 0, nxpk= 0, iat=2150,2152, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 138 ILE HA 138 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2154,2155,2156,
&end
#
# 138 ILE HA 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2161,2162,2163,
&end
#
# 138 ILE QD1 138 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2161,2162,2163,
igr2=2158,2159,
&end
#
# 138 ILE HA 138 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2158,2159,
&end
#
# 9 ALA HA 9 ALA QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 127, 128, 129,
&end
#
# 9 ALA QB 10 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 127, 128, 129,
&end
#
# 11 ALA QB 11 ALA HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 144, 145, 146,
&end
#
# 11 ALA QB 12 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 144, 145, 146,
igr2= 152, 153,
&end
#
# 12 GLY QA 13 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 152, 153,
&end
#
# 13 ASN HA 13 ASN HB2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 159, 161, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 13 ASN HA 13 ASN HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 159, 162, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 14 SER HA 14 SER HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 173, 176, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 14 SER HA 14 SER HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 173, 175, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 14 SER HA 64 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 978, 979, 980,
&end
#
# 14 SER HB2 15 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HB3 14 SER HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 176, 175, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 14 SER HB3 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 13 ASN HA 15 VAL HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 159, 182, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 15 VAL HB 15 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 188, 189, 190,
&end
#
# 15 VAL QG1 57 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 15 VAL HA 15 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 188, 189, 190,
&end
#
# 15 VAL QG1 57 GLN HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 188, 189, 190,
&end
#
# 15 VAL QG1 57 GLN HG3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 188, 189, 190,
&end
#
# 15 VAL QG1 57 GLN HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 188, 189, 190,
&end
#
# 15 VAL QG1 86 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 15 VAL QG1 86 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 15 VAL QG2 56 VAL HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 192, 193, 194,
&end
#
# 15 VAL HB 15 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 192, 193, 194,
&end
#
# 16 LEU HA 16 LEU QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 207, 208, 209,
&end
#
# 16 LEU HA 16 LEU HG 5.27
&rst
ixpk= 0, nxpk= 0, iat= 200, 205, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 16 LEU HA 16 LEU HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 200, 203, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 16 LEU HA 16 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HB3 16 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 207, 208, 209,
&end
#
# 16 LEU HB2 16 LEU QD1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 207, 208, 209,
&end
#
# 16 LEU HB2 16 LEU QD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 211, 212, 213,
&end
#
# 16 LEU HB3 16 LEU QD2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 211, 212, 213,
&end
#
# 16 LEU HB3 16 LEU HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 203, 202, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 17 LEU HA 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HA 17 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 226, 227, 228,
&end
#
# 17 LEU HA 17 LEU HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 219, 221, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 17 LEU HB2 17 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 230, 231, 232,
&end
#
# 17 LEU QD1 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 17 LEU QD2 17 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 230, 231, 232,
igr2= 226, 227, 228,
&end
#
# 17 LEU HB2 17 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 226, 227, 228,
&end
#
# 17 LEU QD1 84 THR QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 226, 227, 228,
igr2=1301,1302,1303,
&end
#
# 17 LEU HB3 17 LEU QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 226, 227, 228,
&end
#
# 17 LEU HG 17 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 226, 227, 228,
&end
#
# 17 LEU HA 17 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HG 17 LEU QD2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 230, 231, 232,
&end
#
# 17 LEU HA 17 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HN 17 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HG 18 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HA 83 ILE HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 238,1278, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 18 VAL HA 18 VAL QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 246, 247, 248,
&end
#
# 18 VAL HA 83 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1289,1290,1291,
&end
#
# 18 VAL HA 83 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1282,1283,1284,
&end
#
# 18 VAL HB 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HA 18 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HB 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 18 VAL HA 18 VAL QG1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 242, 243, 244,
&end
#
# 18 VAL QG2 18 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 246, 247, 248,
igr2= 242, 243, 244,
&end
#
# 18 VAL HB 18 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 242, 243, 244,
&end
#
# 18 VAL HB 18 VAL QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 246, 247, 248,
&end
#
# 19 SER HA 53 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HA 53 ASN HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 254, 823, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 19 SER HA 19 SER HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 254, 256, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 19 SER HA 19 SER HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 254, 257, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 19 SER HA 53 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL QG2 19 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 246, 247, 248,
&end
#
# 19 SER HB3 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HA 19 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU QD2 19 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 19 SER HB2 82 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256,1259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HA 20 ASN HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 265, 268, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 20 ASN HA 20 ASN HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 265, 267, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 20 ASN HB3 81 ILE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 268,1235, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 20 ASN HB2 81 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 267,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HB3 20 ASN HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 268, 267, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 21 LEU QD1 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 19 SER HA 21 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 286, 287, 288,
&end
#
# 21 LEU QD1 54 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 21 LEU HA 21 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 286, 287, 288,
&end
#
# 23 PRO HD3 23 PRO HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 312, 311, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 23 PRO HG2 23 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PRO HG2 23 PRO HD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 314, 311, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 23 PRO HG3 23 PRO HD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 315, 311, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 ASN HB2 23 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HA 24 GLU- HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 326, 329, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 24 GLU- HA 24 GLU- HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 326, 328, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 24 GLU- HA 24 GLU- HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 326, 332, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 23 PRO HD2 24 GLU- HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 311, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HB3 24 GLU- HG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 24 GLU- HN 25 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HA 25 ARG+ HD2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 25 ARG+ HA 25 ARG+ HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 341, 344, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 25 ARG+ HA 25 ARG+ HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 25 ARG+ HB2 25 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB2 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB2 25 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB3 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 344, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB3 25 ARG+ HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 344, 347, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 25 ARG+ HA 25 ARG+ HG2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 24 GLU- HB2 25 ARG+ HG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 328, 346, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 24 GLU- HB3 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 329, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HB3 25 ARG+ HG3 5.44
&rst
ixpk= 0, nxpk= 0, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 25 ARG+ HA 25 ARG+ HD3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 22 ASN HND1 25 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HND2 25 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB3 25 ARG+ HD3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 25 ARG+ HB3 25 ARG+ HD2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 25 ARG+ HG2 25 ARG+ HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 346, 349, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 25 ARG+ HG3 25 ARG+ HD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 25 ARG+ HG3 25 ARG+ HD3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 347, 350, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 25 ARG+ HG2 25 ARG+ HD3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 26 VAL HA 26 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 369, 370, 371,
&end
#
# 26 VAL HA 26 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 21 LEU QD1 26 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 22 ASN HN 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 369, 370, 371,
&end
#
# 25 ARG+ HN 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 369, 370, 371,
&end
#
# 23 PRO HA 26 VAL QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 369, 370, 371,
&end
#
# 26 VAL HB 26 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 369, 370, 371,
&end
#
# 23 PRO HB2 26 VAL QG1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 369, 370, 371,
&end
#
# 21 LEU QD1 26 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 286, 287, 288,
igr2= 369, 370, 371,
&end
#
# 26 VAL QG2 26 VAL QG1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 373, 374, 375,
igr2= 369, 370, 371,
&end
#
# 26 VAL QG2 77 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 26 VAL HA 26 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 373, 374, 375,
&end
#
# 26 VAL HB 26 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 373, 374, 375,
&end
#
# 21 LEU QD1 26 VAL QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 286, 287, 288,
igr2= 373, 374, 375,
&end
#
# 26 VAL QG2 27 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 27 THR HN 30 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR HN 30 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR HA 28 PRO HD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 381, 394, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 27 THR QG2 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 27 THR HA 27 THR QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 385, 386, 387,
&end
#
# 27 THR HB 27 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 385, 386, 387,
&end
#
# 27 THR QG2 28 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 28 PRO HD3 28 PRO HG3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 395, 398, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 29 GLN HA 29 GLN HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 29 GLN HA 29 GLN HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 409, 412, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 28 PRO HD3 28 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR QG2 28 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 27 THR QG2 28 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 28 PRO HG2 28 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PRO HG3 28 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 398, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PRO HG2 28 PRO HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 397, 394, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 29 GLN HA 32 PHE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLN HA 29 GLN HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 409, 415, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 GLN HA 29 GLN HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 409, 414, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 29 GLN HB3 29 GLN HG3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 412, 415, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 29 GLN HB2 29 GLN HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 29 GLN HB2 29 GLN HG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 411, 414, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 GLN HB3 29 GLN HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 412, 414, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 30 SER HA 30 SER HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 426, 428, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 LEU HA 31 LEU HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 437, 439, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 31 LEU HA 31 LEU HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 437, 440, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 31 LEU HB2 31 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 448, 449, 450,
&end
#
# 31 LEU HB2 31 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 439, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HB2 31 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 439, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HB3 31 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 440, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HA 31 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 444, 445, 446,
&end
#
# 31 LEU HB3 31 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 444, 445, 446,
&end
#
# 31 LEU HB2 31 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 444, 445, 446,
&end
#
# 31 LEU HG 31 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 444, 445, 446,
&end
#
# 31 LEU QD2 31 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 448, 449, 450,
igr2= 444, 445, 446,
&end
#
# 31 LEU QD2 35 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 448, 449, 450,
igr2= 520, 528,
&end
#
# 31 LEU QD2 35 PHE HE 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 448, 449, 450,
igr2= 522, 526,
&end
#
# 31 LEU HA 31 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 448, 449, 450,
&end
#
# 31 LEU HB3 31 LEU QD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 448, 449, 450,
&end
#
# 32 PHE HA 32 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 456, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HA 32 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HA 32 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 456, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HB3 107 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 32 PHE HB3 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1666,1671,
&end
#
# 33 ILE HA 33 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 476, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HA 33 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 484, 485,
&end
#
# 33 ILE HA 33 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 480, 481, 482,
&end
#
# 33 ILE QG2 33 ILE HB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 480, 481, 482,
&end
#
# 32 PHE HD 33 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 462, 470,
igr2= 480, 481, 482,
&end
#
# 33 ILE QG2 189 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 480, 481, 482,
&end
#
# 33 ILE QG2 33 ILE QG1 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 480, 481, 482,
igr2= 484, 485,
&end
#
# 34 LEU HA 34 LEU HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 495, 497, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 34 LEU HB3 34 LEU QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 506, 507, 508,
&end
#
# 34 LEU HB2 34 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 506, 507, 508,
&end
#
# 34 LEU HB2 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1084,1085,1086,
&end
#
# 34 LEU HB3 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1084,1085,1086,
&end
#
# 34 LEU HA 34 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 502, 503, 504,
&end
#
# 34 LEU HB3 34 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 502, 503, 504,
&end
#
# 34 LEU HB2 34 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 502, 503, 504,
&end
#
# 34 LEU QD1 35 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 502, 503, 504,
igr2= 522, 526,
&end
#
# 34 LEU HA 34 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 506, 507, 508,
&end
#
# 34 LEU QD2 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 506, 507, 508,
igr2=1084,1085,1086,
&end
#
# 35 PHE HA 35 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 522, 526,
&end
#
# 35 PHE HA 35 PHE HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 514, 517, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 35 PHE HA 35 PHE HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 514, 516, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 35 PHE HA 71 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1084,1085,1086,
&end
#
# 35 PHE HA 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 35 PHE HB3 35 PHE HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 517, 516, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 35 PHE HD 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 520, 528,
igr2= 908, 909, 910,
&end
#
# 35 PHE HD 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 520, 528,
igr2=1084,1085,1086,
&end
#
# 35 PHE HE 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522, 526,
igr2=1084,1085,1086,
&end
#
# 35 PHE HE 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522, 526,
igr2= 870, 871, 872,
&end
#
# 36 GLY HA2 36 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 534, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HA 37 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 541, 543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HA 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2886,2887,2888,
&end
#
# 37 VAL QG1 38 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 545, 546, 547,
igr2= 563, 572,
&end
#
# 37 VAL QG1 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 545, 546, 547,
igr2=2886,2887,2888,
&end
#
# 37 VAL HB 37 VAL QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 545, 546, 547,
&end
#
# 37 VAL QG2 38 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 549, 550, 551,
igr2= 565, 570,
&end
#
# 34 LEU HA 37 VAL QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 549, 550, 551,
&end
#
# 37 VAL QG2 185 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 549, 550, 551,
igr2=2886,2887,2888,
&end
#
# 37 VAL QG1 37 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 545, 546, 547,
igr2= 549, 550, 551,
&end
#
# 38 TYR HA 38 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 565, 570,
&end
#
# 38 TYR HA 38 TYR HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 557, 560, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 38 TYR HA 38 TYR HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 557, 559, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 38 TYR HA 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1979,1980,1981,
&end
#
# 37 VAL QG1 38 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 545, 546, 547,
&end
#
# 38 TYR HE 38 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 565, 570,
&end
#
# 38 TYR HB3 67 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1024,1025,1026,
&end
#
# 38 TYR HD 66 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 563, 572,
igr2=1010,1011,1012,
&end
#
# 39 GLY HN 58 MET QE 5.24
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 908, 909, 910,
&end
#
# 39 GLY HN 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1024,1025,1026,
&end
#
# 39 GLY HA3 39 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 579, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP- HN 59 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 40 ASP- HA 40 ASP- HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 585, 588, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 40 ASP- HB3 42 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 588, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP- HB2 42 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP- HA 40 ASP- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP- HB2 40 ASP- HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 587, 588, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 41 VAL HA 41 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 41 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 601, 602, 603,
&end
#
# 41 VAL HB 41 VAL QG1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 601, 602, 603,
&end
#
# 42 GLN HA 42 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 613, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HB3 42 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HB3 42 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HA 42 GLN HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 613, 616, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 42 GLN HB3 42 GLN HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 616, 615, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 42 GLN HA 42 GLN HG3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 613, 619, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 42 GLN HA 42 GLN HG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 613, 618, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 42 GLN HNE1 59 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 918, 919, 920,
&end
#
# 40 ASP- HB2 42 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 43 ARG+ HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 597, 628, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 43 ARG+ HA 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1666,1671,
&end
#
# 43 ARG+ HA 43 ARG+ HG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 43 ARG+ HA 43 ARG+ QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 632, 633,
&end
#
# 43 ARG+ HA 44 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 662, 663, 664,
&end
#
# 43 ARG+ QB 106 ASP- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 632, 633,
&end
#
# 43 ARG+ HD2 43 ARG+ HD3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 638, 639, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 44 VAL HA 56 VAL HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 654, 866, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 44 VAL HA 44 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 658, 659, 660,
&end
#
# 44 VAL HA 44 VAL HB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 44 VAL HA 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 44 VAL HB 107 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 44 VAL QG2 44 VAL HB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 662, 663, 664,
&end
#
# 44 VAL QG1 44 VAL HB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 658, 659, 660,
&end
#
# 44 VAL QG1 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 658, 659, 660,
igr2=1666,1671,
&end
#
# 45 LYS+ HA 104 THR HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 670,1610, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 45 LYS+ HA 45 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 670, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HA 45 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ HA 45 LYS+ HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 670, 672, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 45 LYS+ HA 45 LYS+ HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 670, 673, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 45 LYS+ HB3 45 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 673, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ HB2 45 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 672, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HA 54 ALA HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 692, 837, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 46 ILE HA 46 ILE HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 692, 694, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 46 ILE HA 46 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HA 46 ILE HG12 5.05
&rst
ixpk= 0, nxpk= 0, iat= 692, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 46 ILE HA 46 ILE QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 696, 697, 698,
&end
#
# 46 ILE HA 46 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 703, 704, 705,
&end
#
# 46 ILE QG2 54 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 696, 697, 698,
&end
#
# 46 ILE HB 46 ILE QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 696, 697, 698,
&end
#
# 46 ILE QG2 46 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= 696, 697, 698,
igr2= 703, 704, 705,
&end
#
# 45 LYS+ HA 46 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 703, 704, 705,
&end
#
# 46 ILE QD1 46 ILE HG12 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 703, 704, 705,
&end
#
# 46 ILE QD1 46 ILE HG13 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 703, 704, 705,
&end
#
# 47 LEU HA 47 LEU HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 711, 714, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 47 LEU HA 47 LEU HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 711, 713, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 47 LEU HB2 53 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 713, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HB3 53 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 714, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HA 47 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 718, 719, 720,
&end
#
# 47 LEU QD1 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 718, 719, 720,
&end
#
# 47 LEU HB3 47 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 718, 719, 720,
&end
#
# 47 LEU HB2 47 LEU QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 718, 719, 720,
&end
#
# 47 LEU QD1 53 ASN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 718, 719, 720,
&end
#
# 47 LEU QD1 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 718, 719, 720,
&end
#
# 47 LEU QD2 55 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 722, 723, 724,
&end
#
# 47 LEU QD2 48 PHE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 722, 723, 724,
&end
#
# 47 LEU QD2 54 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 722, 723, 724,
&end
#
# 47 LEU HA 47 LEU QD2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 722, 723, 724,
&end
#
# 47 LEU HB2 47 LEU QD2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 722, 723, 724,
&end
#
# 48 PHE HN 48 PHE HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 728, 730, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 48 PHE HA 48 PHE HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 730, 733, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 PHE HA 48 PHE HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 730, 732, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 48 PHE HB2 48 PHE HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 732, 733, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 48 PHE HE 48 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 738, 742,
&end
#
# 48 PHE HN 48 PHE HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 728, 732, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 163 PHE HB2 164 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2528,2544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 163 PHE HB3 164 PHE HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=2529,2544, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 49 ASN HN 49 ASN HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 49 ASN HN 49 ASN HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 748, 753, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 49 ASN HB2 49 ASN HND2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 752, 758, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 49 ASN HA 49 ASN HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 750, 752, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 49 ASN HA 49 ASN HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 750, 753, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 49 ASN HN 49 ASN HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 748, 750, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 49 ASN HA 50 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS+ HN 51 LYS+ HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 51 LYS+ HN 51 LYS+ HG3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 51 LYS+ HN 51 LYS+ HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 784, 791, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 52 GLU- HN 52 GLU- HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 806, 808, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 52 GLU- HA 52 GLU- HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 808, 810, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 22 ASN HA 52 GLU- HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PRO HD2 52 GLU- HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 311, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PRO HD3 52 GLU- HG3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 312, 814, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 23 PRO HD3 52 GLU- HG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 312, 813, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 21 LEU QD1 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 53 ASN HA 54 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 839, 840, 841,
&end
#
# 47 LEU QD1 53 ASN HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 718, 719, 720,
&end
#
# 47 LEU HN 54 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 709, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ALA HA 54 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 839, 840, 841,
&end
#
# 47 LEU QD1 54 ALA HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 718, 719, 720,
&end
#
# 46 ILE HA 54 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 839, 840, 841,
&end
#
# 54 ALA QB 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 839, 840, 841,
igr2= 870, 871, 872,
&end
#
# 18 VAL HN 55 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HN 55 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HA 55 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HA 55 LEU HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 847, 850, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 55 LEU HA 55 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 854, 855, 856,
&end
#
# 55 LEU HA 55 LEU HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 15 VAL QG2 55 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 193, 194,
&end
#
# 55 LEU HA 55 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HN 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 858, 859, 860,
&end
#
# 18 VAL HN 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 858, 859, 860,
&end
#
# 17 LEU HA 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 858, 859, 860,
&end
#
# 55 LEU HB3 55 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 858, 859, 860,
&end
#
# 56 VAL HA 56 VAL HB 5.25
&rst
ixpk= 0, nxpk= 0, iat= 866, 868, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 45 LYS+ HN 56 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HN 56 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HB3 56 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 203, 868, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 35 PHE HD 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 520, 528,
igr2= 870, 871, 872,
&end
#
# 18 VAL HN 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 16 LEU HN 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 44 VAL HA 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 56 VAL HA 56 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 870, 871, 872,
&end
#
# 56 VAL QG2 56 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 874, 875, 876,
igr2= 870, 871, 872,
&end
#
# 44 VAL QG2 56 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 662, 663, 664,
igr2= 870, 871, 872,
&end
#
# 56 VAL HB 56 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 870, 871, 872,
&end
#
# 16 LEU HB3 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 55 LEU HA 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 35 PHE HE 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522, 526,
igr2= 874, 875, 876,
&end
#
# 56 VAL HA 56 VAL QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 874, 875, 876,
&end
#
# 35 PHE HB3 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 35 PHE HB2 56 VAL QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 874, 875, 876,
&end
#
# 56 VAL HB 56 VAL QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 874, 875, 876,
&end
#
# 16 LEU HB3 56 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 874, 875, 876,
&end
#
# 16 LEU HB2 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 42 GLN HN 58 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL QG2 57 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 193, 194,
&end
#
# 57 GLN HA 57 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HA 57 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HB3 57 GLN HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 885, 887, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 57 GLN HB2 57 GLN HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 884, 887, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 GLN HA 57 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HA 57 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL QG2 57 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 193, 194,
&end
#
# 58 MET HN 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 41 VAL HA 58 MET HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 597, 899, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 58 MET HA 58 MET QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 901, 902,
&end
#
# 58 MET HA 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 58 MET HA 58 MET QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 904, 905,
&end
#
# 56 VAL QG2 58 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 38 TYR HN 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 35 PHE HE 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522, 526,
igr2= 908, 909, 910,
&end
#
# 38 TYR HD 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 563, 572,
igr2= 908, 909, 910,
&end
#
# 58 MET QE 67 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 908, 909, 910,
&end
#
# 35 PHE HA 58 MET QE 5.31
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 908, 909, 910,
&end
#
# 58 MET QE 64 ALA HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 908, 909, 910,
&end
#
# 39 GLY HA2 58 MET QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 908, 909, 910,
&end
#
# 38 TYR HB3 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 58 MET QG 58 MET QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 904, 905,
igr2= 908, 909, 910,
&end
#
# 58 MET QB 58 MET QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 901, 902,
igr2= 908, 909, 910,
&end
#
# 35 PHE HB2 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 35 PHE HB3 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 58 MET QE 67 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 908, 909, 910,
igr2=1024,1025,1026,
&end
#
# 56 VAL QG2 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 874, 875, 876,
igr2= 908, 909, 910,
&end
#
# 59 ALA QB 59 ALA HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 918, 919, 920,
&end
#
# 59 ALA QB 60 ASP- HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 918, 919, 920,
&end
#
# 58 MET HA 59 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 40 ASP- HB2 59 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 40 ASP- HB3 59 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 918, 919, 920,
&end
#
# 14 SER HB3 60 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 176, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLY HN 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 14 SER HA 61 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 173, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HA 61 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 173, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLY HA2 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 61 GLY HA3 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 62 ASN HA 62 ASN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 62 ASN HA 62 ASN HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 945, 948, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 62 ASN HB2 63 GLN HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 947, 959, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 63 GLN HA 63 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 959, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HA 63 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 959, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HG2 63 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HB2 63 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 961, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ALA HA 67 ALA HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 976,1020, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 64 ALA QB 64 ALA HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 978, 979, 980,
&end
#
# 14 SER HN 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 15 VAL HN 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 14 SER HB2 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 58 MET QG 64 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= 904, 905,
igr2= 978, 979, 980,
&end
#
# 58 MET QB 64 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 901, 902,
igr2= 978, 979, 980,
&end
#
# 64 ALA QB 68 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 978, 979, 980,
igr2=1041,1042,1043,
&end
#
# 58 MET QE 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 908, 909, 910,
igr2= 978, 979, 980,
&end
#
# 16 LEU QD2 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 211, 212, 213,
igr2= 978, 979, 980,
&end
#
# 16 LEU QD1 64 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 207, 208, 209,
igr2= 978, 979, 980,
&end
#
# 64 ALA QB 85 LEU QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 978, 979, 980,
igr2=1318,1319,1320,
&end
#
# 65 GLN HN 68 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1041,1042,1043,
&end
#
# 65 GLN HA 68 MET QE 4.34
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1041,1042,1043,
&end
#
# 65 GLN HA 65 GLN QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 988, 989,
&end
#
# 65 GLN HA 65 GLN QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 991, 992,
&end
#
# 16 LEU QD1 65 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 207, 208, 209,
&end
#
# 65 GLN HA 68 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 986,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HA 68 MET HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 986,1034, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 65 GLN QB 65 GLN QG 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 988, 989,
igr2= 991, 992,
&end
#
# 65 GLN HNE2 68 MET QE 5.38
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1041,1042,1043,
&end
#
# 66 LEU HA 69 SER HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1003,1052, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 66 LEU HA 66 LEU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat=1003,1006, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 66 LEU HA 66 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1014,1015,1016,
&end
#
# 66 LEU HA 66 LEU HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1003,1005, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 66 LEU HB3 66 LEU HG 4.81
&rst
ixpk= 0, nxpk= 0, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 66 LEU HB3 66 LEU QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1010,1011,1012,
&end
#
# 66 LEU HB2 66 LEU QD2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1014,1015,1016,
&end
#
# 66 LEU HB2 66 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1010,1011,1012,
&end
#
# 66 LEU HB2 66 LEU HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat=1005,1006, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 38 TYR HD 66 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 572,
&end
#
# 66 LEU HG 66 LEU QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1014,1015,1016,
&end
#
# 38 TYR HB3 66 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1014,1015,1016,
&end
#
# 38 TYR HB2 66 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1014,1015,1016,
&end
#
# 66 LEU HG 66 LEU QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1010,1011,1012,
&end
#
# 38 TYR HB3 67 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 TYR HE 67 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 565, 570,
&end
#
# 38 TYR HB3 67 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 TYR HB2 67 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA HA 67 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1024,1025,1026,
&end
#
# 67 ALA HA 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1084,1085,1086,
&end
#
# 38 TYR HB2 67 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1024,1025,1026,
&end
#
# 64 ALA HA 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1024,1025,1026,
&end
#
# 67 ALA QB 71 LEU QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1024,1025,1026,
igr2=1084,1085,1086,
&end
#
# 16 LEU QD1 67 ALA QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 207, 208, 209,
igr2=1024,1025,1026,
&end
#
# 35 PHE HA 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1024,1025,1026,
&end
#
# 16 LEU QD1 68 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 207, 208, 209,
&end
#
# 68 MET HA 68 MET HG3 5.36
&rst
ixpk= 0, nxpk= 0, iat=1032,1038, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 68 MET HA 68 MET HG2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1032,1037, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 68 MET HA 68 MET HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat=1032,1035, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 68 MET HA 83 ILE QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1282,1283,1284,
&end
#
# 68 MET HA 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1032,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET HA 68 MET HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1032,1034, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 68 MET QE 84 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 68 MET QE 84 THR HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1041,1042,1043,
&end
#
# 68 MET QE 85 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 68 MET QE 85 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1041,1042,1043,
igr2=1318,1319,1320,
&end
#
# 68 MET QE 85 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1041,1042,1043,
igr2=1322,1323,1324,
&end
#
# 69 SER HA 69 SER HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1049,1051, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 69 SER HA 72 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HA 72 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HA 69 SER HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1049,1052, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 66 LEU HA 69 SER HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1003,1051, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 66 LEU QD1 69 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1010,1011,1012,
&end
#
# 70 HIS HA 70 HIS HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1060,1062, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 70 HIS HA 70 HIS HB3 5.43
&rst
ixpk= 0, nxpk= 0, iat=1060,1063, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 67 ALA HA 70 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA HA 70 HIS HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1022,1062, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 70 HIS HE1 128 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1068,2006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HE1 128 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1068,2010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HA 74 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1077,1120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HA 74 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1077,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HA 71 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HA 71 LEU HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat=1077,1080, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 71 LEU HB2 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 71 LEU HA 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1084,1085,1086,
&end
#
# 71 LEU HB3 71 LEU QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1084,1085,1086,
&end
#
# 71 LEU HG 71 LEU QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1084,1085,1086,
&end
#
# 71 LEU QD2 71 LEU QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1088,1089,1090,
igr2=1084,1085,1086,
&end
#
# 71 LEU HB2 71 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1084,1085,1086,
&end
#
# 34 LEU QD1 71 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 502, 503, 504,
igr2=1084,1085,1086,
&end
#
# 35 PHE HE 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522, 526,
igr2=1088,1089,1090,
&end
#
# 38 TYR HD 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 563, 572,
igr2=1088,1089,1090,
&end
#
# 71 LEU HA 71 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1088,1089,1090,
&end
#
# 71 LEU QD2 74 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 71 LEU QD2 74 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 71 LEU HB3 71 LEU QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1088,1089,1090,
&end
#
# 34 LEU QD2 71 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 506, 507, 508,
igr2=1088,1089,1090,
&end
#
# 72 ASN HA 73 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1096,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HA 83 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1289,1290,1291,
&end
#
# 72 ASN HA 83 ILE QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1282,1283,1284,
&end
#
# 72 ASN HA 72 ASN HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1096,1099, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 72 ASN HA 72 ASN HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1096,1098, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 72 ASN HB2 83 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1282,1283,1284,
&end
#
# 72 ASN HB2 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1098,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLY HA2 73 GLY HA3 4.21
&rst
ixpk= 0, nxpk= 0, iat=1110,1111, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 73 GLY HA3 80 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1111,1226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HN 81 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HA 74 HIS HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat=1117,1119, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 74 HIS HA 74 HIS HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat=1117,1120, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 76 LEU QD1 77 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1164,1165,
&end
#
# 76 LEU QD2 77 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1167,1168,1169,
&end
#
# 26 VAL QG1 77 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 369, 370, 371,
&end
#
# 26 VAL HB 77 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 367,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HA 76 LEU HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1156,1158, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 76 LEU HA 76 LEU HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat=1156,1159, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 76 LEU HB2 76 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1163,1164,1165,
&end
#
# 76 LEU HB2 76 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1167,1168,1169,
&end
#
# 76 LEU QD1 77 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1164,1165,
&end
#
# 76 LEU QD1 77 HIS HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1163,1164,1165,
&end
#
# 76 LEU HB3 76 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1163,1164,1165,
&end
#
# 76 LEU HG 76 LEU QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1163,1164,1165,
&end
#
# 76 LEU QD2 76 LEU QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1167,1168,1169,
igr2=1163,1164,1165,
&end
#
# 76 LEU QD2 77 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1167,1168,1169,
&end
#
# 76 LEU HB3 76 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1167,1168,1169,
&end
#
# 76 LEU HG 76 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1167,1168,1169,
&end
#
# 77 HIS HA 77 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1175,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 HIS HA 77 HIS HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1175,1177, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 25 ARG+ HG3 77 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HG2 77 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 346,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB2 77 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HG3 77 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB2 77 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS+ HA 79 LYS+ HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat=1199,1202, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 79 LYS+ HA 79 LYS+ HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1199,1201, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 79 LYS+ HA 79 LYS+ HG2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1199,1204, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 79 LYS+ HA 79 LYS+ QD 5.25
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1207,1208,
&end
#
# 79 LYS+ HA 80 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1199,1220, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 79 LYS+ HB2 80 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS+ HB3 80 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1202,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS+ HB2 79 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS+ HB3 79 LYS+ HE2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1202,1210, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 79 LYS+ HB2 79 LYS+ HG3 5.47
&rst
ixpk= 0, nxpk= 0, iat=1201,1205, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 79 LYS+ HB2 79 LYS+ HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat=1201,1204, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 79 LYS+ HB3 79 LYS+ HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1202,1204, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 79 LYS+ HB3 79 LYS+ HG3 5.34
&rst
ixpk= 0, nxpk= 0, iat=1202,1205, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 79 LYS+ HA 79 LYS+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1199,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS+ HG2 79 LYS+ HE2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1204,1210, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 79 LYS+ HG3 79 LYS+ HE2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1205,1210, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 20 ASN HND1 79 LYS+ HE2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 272,1210, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 79 LYS+ HA 79 LYS+ HE2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1199,1210, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 79 LYS+ HE2 80 PRO HD2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1210,1220, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 80 PRO QG 80 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1223,1224,
&end
#
# 80 PRO HB2 80 PRO HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1226,1229, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 80 PRO HA 80 PRO HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1229,1227, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 80 PRO QG 80 PRO HD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1223,1224,
&end
#
# 80 PRO HD2 81 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1246,1247,1248,
&end
#
# 81 ILE HA 81 ILE HB 5.08
&rst
ixpk= 0, nxpk= 0, iat=1235,1237, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 81 ILE HB 81 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1246,1247,1248,
&end
#
# 81 ILE HN 81 ILE HG12 5.23
&rst
ixpk= 0, nxpk= 0, iat=1233,1243, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 81 ILE QD1 81 ILE HG13 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1246,1247,1248,
&end
#
# 81 ILE QD1 81 ILE HG12 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1246,1247,1248,
&end
#
# 81 ILE HB 81 ILE HG13 5.08
&rst
ixpk= 0, nxpk= 0, iat=1237,1244, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 81 ILE HB 81 ILE HG12 4.38
&rst
ixpk= 0, nxpk= 0, iat=1237,1243, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 81 ILE HA 81 ILE QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1239,1240,1241,
&end
#
# 20 ASN HB3 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 20 ASN HB2 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 81 ILE HB 81 ILE QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1239,1240,1241,
&end
#
# 81 ILE QG2 81 ILE HG13 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1239,1240,1241,
&end
#
# 81 ILE QG2 81 ILE HG12 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1239,1240,1241,
&end
#
# 81 ILE QG2 81 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1239,1240,1241,
igr2=1246,1247,1248,
&end
#
# 72 ASN HA 82 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1096,1254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 ILE HB 82 ARG+ HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 82 ARG+ HA 82 ARG+ HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1254,1257, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 82 ARG+ HA 82 ARG+ HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1254,1256, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 82 ARG+ HB2 82 ARG+ QD 5.25
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1262,1263,
&end
#
# 82 ARG+ HB3 82 ARG+ QD 5.16
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1262,1263,
&end
#
# 19 SER HB2 82 ARG+ HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 256,1256, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 19 SER HB2 82 ARG+ HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 256,1257, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 82 ARG+ HG2 82 ARG+ QD 3.97
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1262,1263,
&end
#
# 82 ARG+ HG3 82 ARG+ QD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1262,1263,
&end
#
# 19 SER HN 83 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252,1278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HA 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1278,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HA 83 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1289,1290,1291,
&end
#
# 83 ILE HA 83 ILE HG12 4.94
&rst
ixpk= 0, nxpk= 0, iat=1278,1286, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 83 ILE HA 84 THR QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1301,1302,1303,
&end
#
# 68 MET HG3 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1038,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET HG2 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1037,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HA 83 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1278,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR HA 84 THR HB 4.31
&rst
ixpk= 0, nxpk= 0, iat=1297,1299, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 84 THR HA 85 LEU QB 4.98
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1313,1314,
&end
#
# 84 THR HB 84 THR QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1301,1302,1303,
&end
#
# 17 LEU QD2 84 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 17 LEU HN 84 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1301,1302,1303,
&end
#
# 83 ILE HN 84 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1301,1302,1303,
&end
#
# 82 ARG+ QD 84 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=1262,1263,
igr2=1301,1302,1303,
&end
#
# 17 LEU QD2 84 THR QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr1= 230, 231, 232,
igr2=1301,1302,1303,
&end
#
# 68 MET QE 85 LEU HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1041,1042,1043,
&end
#
# 85 LEU HA 85 LEU QB 4.40
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1313,1314,
&end
#
# 68 MET QE 85 LEU QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1041,1042,1043,
igr2=1313,1314,
&end
#
# 85 LEU QD1 86 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1318,1319,1320,
&end
#
# 17 LEU HN 85 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1318,1319,1320,
&end
#
# 16 LEU HA 85 LEU QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1318,1319,1320,
&end
#
# 85 LEU HA 85 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1318,1319,1320,
&end
#
# 85 LEU HG 85 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1318,1319,1320,
&end
#
# 85 LEU QB 85 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1313,1314,
igr2=1318,1319,1320,
&end
#
# 65 GLN QG 85 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 991, 992,
igr2=1318,1319,1320,
&end
#
# 85 LEU HG 85 LEU QD2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1322,1323,1324,
&end
#
# 85 LEU QB 85 LEU QD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1313,1314,
igr2=1322,1323,1324,
&end
#
# 15 VAL QG2 86 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 193, 194,
&end
#
# 15 VAL QG2 86 SER HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 192, 193, 194,
&end
#
# 87 LYS+ HA 87 LYS+ HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1341,1343, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 87 LYS+ HB2 87 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1352,1353,
&end
#
# 87 LYS+ HB3 87 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1352,1353,
&end
#
# 87 LYS+ HB3 87 LYS+ HD2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1344,1349, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 87 LYS+ HB3 87 LYS+ HD3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1344,1350, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 87 LYS+ HB2 87 LYS+ HD3 5.46
&rst
ixpk= 0, nxpk= 0, iat=1343,1350, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 87 LYS+ HB2 87 LYS+ HD2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1343,1349, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 87 LYS+ HA 87 LYS+ QE 5.46
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1352,1353,
&end
#
# 87 LYS+ HA 87 LYS+ HD2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1341,1349, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 87 LYS+ HA 87 LYS+ HD3 5.23
&rst
ixpk= 0, nxpk= 0, iat=1341,1350, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 87 LYS+ HA 87 LYS+ HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1341,1344, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 87 LYS+ HD2 87 LYS+ QE 4.85
&rst
ixpk= 0, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1352,1353,
&end
#
# 87 LYS+ HD3 87 LYS+ QE 4.90
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1352,1353,
&end
#
# 89 GLN HA 90 ASN HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1380,1395, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 89 GLN HA 89 GLN QG 4.17
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1385,1386,
&end
#
# 89 GLN HA 89 GLN HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1380,1382, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 89 GLN HA 89 GLN HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1380,1383, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 89 GLN HB3 89 GLN QG 4.17
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1385,1386,
&end
#
# 89 GLN HB2 89 GLN QG 4.21
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1385,1386,
&end
#
# 124 GLN HB3 124 GLN HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1940,1942, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 15 VAL QG1 90 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 57 GLN HNE2 90 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1399,1400,
&end
#
# 57 GLN HNE1 90 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1399,1400,
&end
#
# 15 VAL QG1 90 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 188, 189, 190,
igr2=1399,1400,
&end
#
# 90 ASN QB 91 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1399,1400,
igr2=1415,1416,1417,
&end
#
# 90 ASN QB 91 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1399,1400,
igr2=1419,1420,1421,
&end
#
# 157 VAL HB 176 GLY HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=2425,2760, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 91 VAL HA 91 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1415,1416,1417,
&end
#
# 91 VAL HA 91 VAL QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1419,1420,1421,
&end
#
# 91 VAL HA 91 VAL HB 5.48
&rst
ixpk= 0, nxpk= 0, iat=1411,1413, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 91 VAL HA 92 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1411,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HA 92 GLN HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1411,1429, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 91 VAL QG2 91 VAL HB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1419,1420,1421,
&end
#
# 92 GLN HA 92 GLN HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1427,1430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 92 GLN HB3 92 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1430,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HA 92 GLN HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat=1427,1429, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 92 GLN HB3 92 GLN HG3 4.44
&rst
ixpk= 0, nxpk= 0, iat=1430,1433, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 92 GLN HB3 92 GLN HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1430,1432, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 92 GLN HB2 92 GLN HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat=1429,1433, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 92 GLN HB2 92 GLN HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1429,1432, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 93 LEU HN 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 93 LEU HA 104 THR QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1614,1615,1616,
&end
#
# 93 LEU HA 93 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1444,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HA 93 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1444,1447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HB3 94 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1447,1462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HB3 94 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1447,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HB3 93 LEU QD2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1455,1456,1457,
&end
#
# 93 LEU HB2 93 LEU QD2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1455,1456,1457,
&end
#
# 93 LEU HB2 93 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1446,1449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HB3 93 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1447,1449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HG2 93 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1432,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HG2 93 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1432,1447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HB3 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 93 LEU HB2 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 93 LEU QD1 94 PRO HD2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1451,1452,1453,
&end
#
# 93 LEU QD1 94 PRO HD3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1451,1452,1453,
&end
#
# 93 LEU HA 93 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1451,1452,1453,
&end
#
# 93 LEU QD1 104 THR QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1451,1452,1453,
igr2=1614,1615,1616,
&end
#
# 93 LEU HB2 93 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1451,1452,1453,
&end
#
# 93 LEU HB3 93 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1451,1452,1453,
&end
#
# 93 LEU QD1 106 ASP- HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1451,1452,1453,
&end
#
# 93 LEU QD1 106 ASP- HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1451,1452,1453,
&end
#
# 93 LEU QD1 106 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1451,1452,1453,
&end
#
# 93 LEU HA 93 LEU QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1455,1456,1457,
&end
#
# 93 LEU QD2 106 ASP- HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1455,1456,1457,
&end
#
# 93 LEU QD2 106 ASP- HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1455,1456,1457,
&end
#
# 93 LEU QD2 106 ASP- HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1455,1456,1457,
&end
#
# 93 LEU QD1 106 ASP- HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1451,1452,1453,
&end
#
# 93 LEU QD2 104 THR QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1455,1456,1457,
igr2=1614,1615,1616,
&end
#
# 93 LEU QD2 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1455,1456,1457,
&end
#
# 93 LEU QD1 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1451,1452,1453,
&end
#
# 94 PRO HD2 94 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1462,1471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO HD3 94 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1463,1471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO HA 94 PRO HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1471,1469, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 94 PRO HA 94 PRO HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1471,1468, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 94 PRO HA 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 94 PRO HB2 95 ARG+ HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=1468,1475, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 94 PRO HD2 94 PRO HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1462,1468, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 94 PRO HG2 95 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1465,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO HG3 95 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1466,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HA 94 PRO HD3 4.71
&rst
ixpk= 0, nxpk= 0, iat=1444,1463, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 93 LEU HA 94 PRO HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1444,1462, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 94 PRO HG2 94 PRO HD3 4.38
&rst
ixpk= 0, nxpk= 0, iat=1465,1463, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 94 PRO HG3 94 PRO HD3 4.86
&rst
ixpk= 0, nxpk= 0, iat=1466,1463, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 93 LEU HB2 94 PRO HD2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1446,1462, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 93 LEU HB2 94 PRO HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1446,1463, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 93 LEU QD2 94 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1455,1456,1457,
&end
#
# 93 LEU QD2 94 PRO HD3 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1455,1456,1457,
&end
#
# 94 PRO HD2 104 THR QG2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1614,1615,1616,
&end
#
# 94 PRO HD3 104 THR QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1614,1615,1616,
&end
#
# 94 PRO HD2 104 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1462,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 PRO HD3 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1463,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ARG+ HA 95 ARG+ HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1477,1480, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 ARG+ HA 95 ARG+ HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 95 ARG+ HB2 95 ARG+ QD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1485,1486,
&end
#
# 95 ARG+ HA 95 ARG+ QD 5.24
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1485,1486,
&end
#
# 95 ARG+ HB3 95 ARG+ QD 4.19
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1485,1486,
&end
#
# 96 GLU- HA 96 GLU- QB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1503,1504,
&end
#
# 96 GLU- HA 96 GLU- QG 4.44
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1506,1507,
&end
#
# 96 GLU- QB 96 GLU- QG 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1503,1504,
igr2=1506,1507,
&end
#
# 97 GLY HA3 97 GLY HA2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1517,1516, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 96 GLU- QG 97 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1506,1507,
&end
#
# 96 GLU- QB 97 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1503,1504,
&end
#
# 96 GLU- QB 97 GLY HA2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1503,1504,
&end
#
# 96 GLU- QG 97 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1506,1507,
&end
#
# 96 GLU- HA 98 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1501,1521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HA 98 GLN HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 98 GLN HA 98 GLN QG 4.03
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1528,1529,
&end
#
# 98 GLN HB2 99 GLU- HN 5.24
&rst
ixpk= 0, nxpk= 0, iat=1525,1538, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 98 GLN HA 98 GLN HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat=1523,1526, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 95 ARG+ QD 98 GLN HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1485,1486,
&end
#
# 95 ARG+ QD 98 GLN HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1485,1486,
&end
#
# 95 ARG+ QD 98 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1485,1486,
igr2=1528,1529,
&end
#
# 98 GLN HB2 98 GLN QG 3.63
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1528,1529,
&end
#
# 99 GLU- HA 99 GLU- QG 3.88
&rst
ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1545,1546,
&end
#
# 99 GLU- HA 99 GLU- HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat=1540,1543, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 99 GLU- HB2 100 ASP- HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1542,1553, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 99 GLU- HB2 99 GLU- QG 3.24
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1545,1546,
&end
#
# 99 GLU- HB3 99 GLU- QG 3.58
&rst
ixpk= 0, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1545,1546,
&end
#
# 99 GLU- QG 100 ASP- HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1545,1546,
&end
#
# 101 GLN HA 101 GLN QG 3.87
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1572,1573,
&end
#
# 101 GLN HA 101 GLN QB 4.11
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1569,1570,
&end
#
# 101 GLN QB 102 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1569,1570,
&end
#
# 102 GLY HA3 103 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1598,1599,1600,
&end
#
# 103 LEU HA 103 LEU HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1591,1594, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 103 LEU HA 103 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1602,1603,1604,
&end
#
# 103 LEU HA 103 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1591,1593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 LEU HB3 103 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1598,1599,1600,
&end
#
# 103 LEU HB3 103 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1602,1603,1604,
&end
#
# 103 LEU HB2 103 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1602,1603,1604,
&end
#
# 103 LEU HB2 103 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat=1593,1596, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 103 LEU HB3 103 LEU HG 4.83
&rst
ixpk= 0, nxpk= 0, iat=1594,1596, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 103 LEU HA 103 LEU HG 5.03
&rst
ixpk= 0, nxpk= 0, iat=1591,1596, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 103 LEU HA 103 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1598,1599,1600,
&end
#
# 103 LEU HG 103 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1598,1599,1600,
&end
#
# 103 LEU HG 103 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1602,1603,1604,
&end
#
# 104 THR HA 104 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1614,1615,1616,
&end
#
# 104 THR HA 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1610,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HA 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1444,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO HB2 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1468,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO HG2 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1465,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO HG3 104 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1466,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ HA 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 104 THR HB 104 THR QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ HE2 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 94 PRO HG3 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ QD 104 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 678, 679,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ HB2 104 THR QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1614,1615,1616,
&end
#
# 94 PRO HB2 104 THR QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1614,1615,1616,
&end
#
# 105 LYS+ HB2 107 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1666,1671,
&end
#
# 105 LYS+ HB3 107 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 105 LYS+ HA 105 LYS+ HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1624,1626, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 105 LYS+ HA 105 LYS+ HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1624,1627, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 105 LYS+ HA 105 LYS+ HE3 5.33
&rst
ixpk= 0, nxpk= 0, iat=1624,1636, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 105 LYS+ HB2 105 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1626,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB2 105 LYS+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1626,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB2 105 LYS+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1626,1632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB2 105 LYS+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1626,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB2 105 LYS+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1626,1629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB3 105 LYS+ HG2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1627,1629, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 105 LYS+ HB3 105 LYS+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1627,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB3 105 LYS+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1627,1632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB3 105 LYS+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1627,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HB3 105 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1627,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HE3 106 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1636,1644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HD3 105 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1633,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HG2 105 LYS+ HE3 4.29
&rst
ixpk= 0, nxpk= 0, iat=1629,1636, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 93 LEU QD2 106 ASP- HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1455,1456,1457,
&end
#
# 106 ASP- HA 107 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 43 ARG+ HA 106 ASP- HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 630,1646, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 109 ASN HA 109 ASN HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1686,1689, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 106 ASP- HA 106 ASP- HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1646,1649, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 106 ASP- HA 106 ASP- HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 107 TYR HN 108 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1679,1680,
&end
#
# 93 LEU QD1 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1451,1452,1453,
&end
#
# 107 TYR HA 107 TYR HD 5.35
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1664,1673,
&end
#
# 32 PHE HE 107 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 464, 468,
&end
#
# 32 PHE HE 107 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 464, 468,
&end
#
# 107 TYR HA 107 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1658,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HA 107 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1658,1661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HB2 107 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1660,1661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HD 110 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1673,
&end
#
# 110 SER HB3 110 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1703,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HB3 110 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1661,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HB2 110 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1660,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HA 108 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1679,1680,
&end
#
# 109 ASN HA 109 ASN HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1686,1688, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 108 GLY QA 109 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1679,1680,
&end
#
# 109 ASN HB2 109 ASN HB3 3.25
&rst
ixpk= 0, nxpk= 0, iat=1688,1689, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 110 SER HA 110 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1700,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HA 110 SER HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1700,1703, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 110 SER HA 111 PRO HD2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1700,1710, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 110 SER HA 111 PRO HD3 4.51
&rst
ixpk= 0, nxpk= 0, iat=1700,1711, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 112 LEU HA 112 LEU QB 4.24
&rst
ixpk= 0, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1727,1728,
&end
#
# 112 LEU HA 112 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1732,1733,1734,
&end
#
# 112 LEU HA 112 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1736,1737,1738,
&end
#
# 112 LEU QB 112 LEU HG 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1727,1728,
&end
#
# 112 LEU QD1 190 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2973, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1732,1733,1734,
&end
#
# 32 PHE HE 112 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 464, 468,
igr2=1732,1733,1734,
&end
#
# 112 LEU QD1 190 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1732,1733,1734,
&end
#
# 112 LEU QB 112 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1727,1728,
igr2=1732,1733,1734,
&end
#
# 112 LEU QD1 190 ASN HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2967, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD2 112 LEU QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1736,1737,1738,
igr2=1732,1733,1734,
&end
#
# 112 LEU HG 112 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1732,1733,1734,
&end
#
# 112 LEU QD2 190 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2973, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1736,1737,1738,
&end
#
# 112 LEU QB 112 LEU QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1727,1728,
igr2=1736,1737,1738,
&end
#
# 112 LEU HG 112 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1736,1737,1738,
&end
#
# 113 HIS HA 113 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1744,1747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 PHE HA 115 PHE HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1785,1788, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 115 PHE HA 115 PHE HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1785,1787, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 115 PHE HB2 115 PHE HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat=1787,1788, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 118 PRO HA 118 PRO HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1857,1855, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 118 PRO HA 118 PRO HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1857,1854, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 118 PRO HD2 118 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1848,1857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 SER HA 120 SER HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat=1870,1873, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 123 PHE HA 123 PHE HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat=1917,1920, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 123 PHE HB2 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1979,1980,1981,
&end
#
# 123 PHE HB3 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1979,1980,1981,
&end
#
# 124 GLN HA 124 GLN HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1937,1939, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 124 GLN HA 124 GLN HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1937,1940, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 124 GLN HB2 124 GLN HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1939,1942, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 124 GLN HG3 125 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1943,1952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HA 124 GLN HG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1937,1942, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 124 GLN HB3 124 GLN HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1940,1943, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 124 GLN HB2 124 GLN HG3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1939,1943, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 125 ASN HB3 125 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1957,1962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HB2 125 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1956,1962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HA 125 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1954,1957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HB3 125 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1957,1956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HA 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1979,1980,1981,
&end
#
# 151 PHE HA 188 LEU QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2936,2937,2938,
&end
#
# 151 PHE HA 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 126 ILE HA 126 ILE QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1972,1973,1974,
&end
#
# 126 ILE HA 126 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1968,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HA 184 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2871,2872,2873,
&end
#
# 126 ILE HB 126 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1979,1980,1981,
&end
#
# 126 ILE HB 126 ILE HG12 5.03
&rst
ixpk= 0, nxpk= 0, iat=1970,1976, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 126 ILE QG2 126 ILE QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1972,1973,1974,
igr2=1979,1980,1981,
&end
#
# 126 ILE HB 126 ILE QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1972,1973,1974,
&end
#
# 126 ILE QG2 126 ILE HG12 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1972,1973,1974,
&end
#
# 38 TYR HB2 126 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1972,1973,1974,
&end
#
# 38 TYR HB3 126 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1972,1973,1974,
&end
#
# 38 TYR HA 126 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1972,1973,1974,
&end
#
# 37 VAL QG1 126 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 545, 546, 547,
igr2=1972,1973,1974,
&end
#
# 123 PHE HA 126 ILE QD1 5.38
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1979,1980,1981,
&end
#
# 123 PHE HA 123 PHE HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1917,1919, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 123 PHE HA 126 ILE HG12 5.16
&rst
ixpk= 0, nxpk= 0, iat=1917,1976, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 28 PRO HA 31 LEU QD1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 444, 445, 446,
&end
#
# 28 PRO HA 29 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 403, 407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PRO HA 31 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 403, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PRO HB2 28 PRO HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 400, 403, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 28 PRO HG3 28 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PRO HG2 28 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PRO HA 31 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 448, 449, 450,
&end
#
# 28 PRO HA 31 LEU HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 403, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 123 PHE HA 126 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1917,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE QD1 126 ILE HG13 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1979,1980,1981,
&end
#
# 126 ILE QD1 126 ILE HG12 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1979,1980,1981,
&end
#
# 127 PHE HA 127 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1995,1999,
&end
#
# 127 PHE HA 127 PHE HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1987,1989, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 127 PHE HA 128 PRO HD3 5.06
&rst
ixpk= 0, nxpk= 0, iat=1987,2007, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 127 PHE HA 128 PRO HD2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1987,2006, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 127 PHE HA 127 PHE HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat=1987,1990, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 127 PHE HA 128 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1987,2010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HE 127 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1995,1999,
&end
#
# 127 PHE HE 127 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1995,1999,
&end
#
# 127 PHE HB2 128 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1989,2006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HB2 128 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1989,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HB3 127 PHE HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1990,1989, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 127 PHE HD 205 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1993,2001,
igr2=3209,3210,
&end
#
# 127 PHE HD 205 LYS+ QG 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1993,2001,
igr2=3203,3204,
&end
#
# 127 PHE HB3 128 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1990,2006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HD 128 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1993,2001,
&end
#
# 129 PRO QG 203 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2023,2024,
igr2=3175,3179,
&end
#
# 129 PRO HB2 129 PRO HA 4.84
&rst
ixpk= 0, nxpk= 0, iat=2026,2029, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 129 PRO HB3 129 PRO HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2027,2029, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 129 PRO QG 129 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2023,2024,
&end
#
# 129 PRO HD2 129 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2020,2029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 PRO HD2 129 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2020,2026, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 PRO HD2 129 PRO QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2023,2024,
&end
#
# 130 SER HN 178 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2784,2785,2786,
&end
#
# 130 SER HA 131 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2048,2049,2050,
&end
#
# 130 SER HA 130 SER HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat=2035,2038, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 130 SER HA 130 SER HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat=2035,2037, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 130 SER HA 178 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2788,2789,2790,
&end
#
# 130 SER HB3 131 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2048,2049,2050,
&end
#
# 131 ALA HA 131 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2048,2049,2050,
&end
#
# 131 ALA HA 181 ALA QB 4.61
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2828,2829,2830,
&end
#
# 131 ALA HA 178 VAL HA 4.65
&rst
ixpk= 0, nxpk= 0, iat=2046,2780, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 131 ALA HA 178 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2788,2789,2790,
&end
#
# 131 ALA HA 178 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2784,2785,2786,
&end
#
# 131 ALA QB 132 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 178 VAL HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2780, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 177 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2769, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 175 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2747, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 175 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2748, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2734, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2733, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 181 ALA QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1=2048,2049,2050,
igr2=2828,2829,2830,
&end
#
# 131 ALA QB 178 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=2048,2049,2050,
igr2=2788,2789,2790,
&end
#
# 131 ALA QB 178 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2048,2049,2050,
igr2=2784,2785,2786,
&end
#
# 132 THR HA 174 GLN HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=2056,2728, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 132 THR HA 132 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2056,2058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HA 174 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2056,2730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HA 132 THR QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2060,2061,2062,
&end
#
# 130 SER HB3 132 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2038,2058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HB2 132 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2037,2058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HB 204 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2058,3190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HB 132 THR QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2060,2061,2062,
&end
#
# 133 LEU HA 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2070,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HA 133 LEU QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2081,2082,2083,
&end
#
# 133 LEU HA 133 LEU HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat=2070,2073, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 133 LEU HA 133 LEU QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2077,2078,2079,
&end
#
# 133 LEU HA 133 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2070,2072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HB2 133 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2081,2082,2083,
&end
#
# 133 LEU HB2 133 LEU QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2077,2078,2079,
&end
#
# 133 LEU HB3 133 LEU QD2 5.49
&rst
ixpk= 0, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2081,2082,2083,
&end
#
# 132 THR HA 133 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2081,2082,2083,
&end
#
# 133 LEU HA 134 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2070,2089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HA 134 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HA 172 LEU QD2 5.10
&rst
ixpk= 0, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2701,2702,2703,
&end
#
# 134 HIS HB2 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 134 HIS HD2 172 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2697,2698,2699,
&end
#
# 134 HIS HE1 136 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2097,2127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HN 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 135 LEU HN 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 135 LEU HA 135 LEU HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat=2106,2109, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 135 LEU HA 135 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2106,2108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HA 135 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2106,2111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HA 201 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=3148,3149,3150,
&end
#
# 135 LEU HA 201 VAL QG1 5.28
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=3144,3145,3146,
&end
#
# 135 LEU HA 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 135 LEU HB3 135 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2117,2118,2119,
&end
#
# 135 LEU HB2 135 LEU QD2 5.46
&rst
ixpk= 0, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2117,2118,2119,
&end
#
# 135 LEU HB2 135 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2108,2111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HA 135 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HG 135 LEU QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2113,2114,2115,
&end
#
# 135 LEU HG 135 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2117,2118,2119,
&end
#
# 135 LEU HG 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 135 LEU QD1 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2678, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2113,2114,2115,
&end
#
# 135 LEU QD1 173 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2113,2114,2115,
&end
#
# 135 LEU QD1 172 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2688, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2113,2114,2115,
&end
#
# 135 LEU QD1 151 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2113,2114,2115,
igr2=2359,2367,
&end
#
# 135 LEU QD1 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2113,2114,2115,
igr2=2490,2498,
&end
#
# 135 LEU QD1 161 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2113,2114,2115,
&end
#
# 135 LEU QD1 171 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2680, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2113,2114,2115,
&end
#
# 135 LEU HB3 135 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2113,2114,2115,
&end
#
# 135 LEU HB2 135 LEU QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2113,2114,2115,
&end
#
# 135 LEU QD2 135 LEU QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2117,2118,2119,
igr2=2113,2114,2115,
&end
#
# 135 LEU QD1 173 ILE QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2113,2114,2115,
igr2=2713,2714,2715,
&end
#
# 135 LEU QD2 201 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,3140, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2117,2118,2119,
&end
#
# 136 SER HN 201 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,3140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HN 200 ARG+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,3119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 170 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 170 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2161,2162,2163,
&end
#
# 136 SER HA 170 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 170 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 136 SER HB3 136 SER HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat=2128,2127, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 137 ASN HA 137 ASN HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat=2136,2139, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 137 ASN HA 137 ASN HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat=2136,2138, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 137 ASN HB3 200 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2139,3114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB2 200 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2138,3114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB3 200 ARG+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2139,3119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE HN 138 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2148, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2158,2159,
&end
#
# 138 ILE HA 139 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2150,2168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE HN 138 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2148,2150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE HB 138 ILE QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2161,2162,2163,
&end
#
# 138 ILE HB 138 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2158,2159,
&end
#
# 138 ILE QG2 163 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2154,2155,2156,
igr2=2532,2540,
&end
#
# 138 ILE QG2 139 PRO HD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2154,2155,2156,
&end
#
# 138 ILE QG2 138 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2154,2155,2156,
igr2=2161,2162,2163,
&end
#
# 135 LEU QD2 138 ILE QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2117,2118,2119,
igr2=2161,2162,2163,
&end
#
# 135 LEU QD1 138 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2113,2114,2115,
igr2=2161,2162,2163,
&end
#
# 138 ILE QG2 139 PRO HD3 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2154,2155,2156,
&end
#
# 138 ILE QG2 142 VAL HB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2154,2155,2156,
&end
#
# 138 ILE HB 138 ILE QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2154,2155,2156,
&end
#
# 140 PRO HA 140 PRO HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2191,2188, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 140 PRO HA 140 PRO HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=2191,2189, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 139 PRO HB2 139 PRO HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=2174,2177, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 139 PRO HB3 139 PRO HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=2175,2177, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 139 PRO HA 140 PRO HD3 4.99
&rst
ixpk= 0, nxpk= 0, iat=2177,2183, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 139 PRO HG2 139 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2171,2174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PRO HD2 139 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2168,2171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 SER HA 141 SER HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat=2197,2199, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 141 SER HA 141 SER HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat=2197,2200, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 142 VAL HA 146 ASP- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2208,2268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 VAL HA 146 ASP- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2208,2267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 VAL HA 142 VAL HB 4.55
&rst
ixpk= 0, nxpk= 0, iat=2208,2210, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 142 VAL QG2 142 VAL HB 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2216,2217,2218,
&end
#
# 142 VAL HA 142 VAL QG1 4.30
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2212,2213,2214,
&end
#
# 142 VAL HA 142 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2216,2217,2218,
&end
#
# 143 SER HA 143 SER HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat=2224,2227, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 143 SER HA 143 SER HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat=2224,2226, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 144 GLU- HA 147 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235,2275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HA 161 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235,2494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HA 144 GLU- HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat=2235,2238, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 144 GLU- HA 144 GLU- HG2 5.27
&rst
ixpk= 0, nxpk= 0, iat=2235,2240, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 144 GLU- HA 144 GLU- HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat=2235,2237, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 144 GLU- HA 144 GLU- HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat=2235,2241, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 144 GLU- HB3 144 GLU- HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=2238,2240, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 144 GLU- HB3 144 GLU- HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat=2238,2241, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 144 GLU- HG2 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2490,2498,
&end
#
# 144 GLU- HG3 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2490,2498,
&end
#
# 144 GLU- HG3 145 GLU- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2241,2250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 GLU- HA 147 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2250,2275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 GLU- HA 145 GLU- HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat=2250,2253, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 145 GLU- HA 145 GLU- HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat=2250,2252, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 148 LYS+ HA 148 LYS+ HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat=2296,2298, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 148 LYS+ HA 148 LYS+ HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat=2296,2299, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 148 LYS+ HA 148 LYS+ HD2 5.04
&rst
ixpk= 0, nxpk= 0, iat=2296,2304, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 148 LYS+ HA 148 LYS+ HD3 5.07
&rst
ixpk= 0, nxpk= 0, iat=2296,2305, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 148 LYS+ HA 148 LYS+ QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2301,2302,
&end
#
# 146 ASP- HA 146 ASP- HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat=2265,2268, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 146 ASP- HA 146 ASP- HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat=2265,2267, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 146 ASP- HB3 146 ASP- HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat=2268,2267, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 146 ASP- HB2 147 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2288,2289,2290,
&end
#
# 147 LEU HA 150 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2277,2332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 LEU HA 147 LEU HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat=2277,2279, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 147 LEU HA 147 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2288,2289,2290,
&end
#
# 147 LEU HA 150 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2341,2342,2343,
&end
#
# 147 LEU HA 150 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2345,2346,2347,
&end
#
# 147 LEU HA 147 LEU HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat=2277,2280, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 147 LEU HA 150 LEU HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat=2277,2336, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 147 LEU HA 150 LEU HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=2277,2337, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 147 LEU HB3 148 LYS+ HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2280,2294, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 147 LEU HB2 147 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2279,2282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 LEU HB2 147 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2288,2289,2290,
&end
#
# 148 LYS+ HA 148 LYS+ HE3 5.23
&rst
ixpk= 0, nxpk= 0, iat=2296,2308, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 148 LYS+ HD2 148 LYS+ HE2 4.63
&rst
ixpk= 0, nxpk= 0, iat=2304,2307, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 148 LYS+ HD3 148 LYS+ HE2 4.67
&rst
ixpk= 0, nxpk= 0, iat=2305,2307, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 148 LYS+ HD3 148 LYS+ HE3 4.50
&rst
ixpk= 0, nxpk= 0, iat=2305,2308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 LYS+ HD2 148 LYS+ HE3 4.44
&rst
ixpk= 0, nxpk= 0, iat=2304,2308, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 149 VAL HA 152 SER HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat=2318,2376, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 148 LYS+ HB3 149 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2299,2318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HA 149 VAL HB 4.65
&rst
ixpk= 0, nxpk= 0, iat=2318,2320, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 149 VAL HA 149 VAL QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2326,2327,2328,
&end
#
# 149 VAL HA 149 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2322,2323,2324,
&end
#
# 148 LYS+ HB2 149 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2298,2318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ASP- HA 149 VAL HB 4.47
&rst
ixpk= 0, nxpk= 0, iat=2265,2320, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 149 VAL HB 149 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2322,2323,2324,
&end
#
# 149 VAL HB 149 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2326,2327,2328,
&end
#
# 150 LEU HA 150 LEU QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2341,2342,2343,
&end
#
# 150 LEU HA 150 LEU QD2 5.04
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2345,2346,2347,
&end
#
# 150 LEU HA 150 LEU HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat=2334,2337, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 150 LEU HA 150 LEU HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=2334,2336, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 150 LEU HB3 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 150 LEU HB3 150 LEU QD2 4.51
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2345,2346,2347,
&end
#
# 150 LEU HB3 150 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2341,2342,2343,
&end
#
# 150 LEU HB3 150 LEU HG 4.73
&rst
ixpk= 0, nxpk= 0, iat=2337,2339, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 150 LEU HB2 188 LEU QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2936,2937,2938,
&end
#
# 150 LEU HB2 188 LEU QD2 5.30
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2940,2941,2942,
&end
#
# 150 LEU HB2 150 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2341,2342,2343,
&end
#
# 150 LEU HB2 150 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2345,2346,2347,
&end
#
# 150 LEU HA 150 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2334,2339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU HG 188 LEU QD1 5.23
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2936,2937,2938,
&end
#
# 150 LEU HG 188 LEU QD2 5.06
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=2940,2941,2942,
&end
#
# 150 LEU HG 150 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2341,2342,2343,
&end
#
# 150 LEU HG 150 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2345,2346,2347,
&end
#
# 147 LEU HN 150 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2341,2342,2343,
&end
#
# 150 LEU QD1 151 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2341,2342,2343,
igr2=2361,2365,
&end
#
# 150 LEU QD1 188 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2341,2342,2343,
igr2=2940,2941,2942,
&end
#
# 150 LEU QD2 151 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2345,2346,2347,
igr2=2359,2367,
&end
#
# 150 LEU QD2 151 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2345,2346,2347,
igr2=2361,2365,
&end
#
# 150 LEU QD2 191 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2982, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2345,2346,2347,
&end
#
# 150 LEU QD2 191 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2981, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2345,2346,2347,
&end
#
# 150 LEU QD2 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2345,2346,2347,
igr2=2936,2937,2938,
&end
#
# 150 LEU QD2 188 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2345,2346,2347,
igr2=2940,2941,2942,
&end
#
# 151 PHE HN 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 151 PHE HA 151 PHE HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat=2353,2356, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 151 PHE HD 151 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2359,2367,
&end
#
# 151 PHE HD 184 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=2359,2367,
igr2=2871,2872,2873,
&end
#
# 150 LEU HG 151 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2359,2367,
&end
#
# 135 LEU QD2 151 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2117,2118,2119,
igr2=2359,2367,
&end
#
# 151 PHE HD 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2359,2367,
igr2=2940,2941,2942,
&end
#
# 151 PHE HD 175 MET QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=2359,2367,
igr2=2754,2755,2756,
&end
#
# 151 PHE HE 188 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2932, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2361,2365,
&end
#
# 150 LEU HB2 151 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2361,2365,
&end
#
# 150 LEU HB3 151 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2361,2365,
&end
#
# 151 PHE HE 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2361,2365,
igr2=2754,2755,2756,
&end
#
# 147 LEU HA 151 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2361,2365,
&end
#
# 152 SER HN 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2371, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 152 SER HA 152 SER HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat=2373,2375, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 152 SER HA 152 SER HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat=2373,2376, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 152 SER HA 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 152 SER HA 158 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2447,2448,2449,
&end
#
# 152 SER HB3 158 VAL QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=2376, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2447,2448,2449,
&end
#
# 152 SER HB2 158 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=2375, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2447,2448,2449,
&end
#
# 152 SER HB2 158 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2375, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2443,2444,2445,
&end
#
# 153 SER HA 153 SER QB 3.80
&rst
ixpk= 0, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2386,2387,
&end
#
# 153 SER QB 154 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2386,2387,
&end
#
# 154 ASN HA 154 ASN HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat=2395,2397, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 154 ASN HA 154 ASN HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=2395,2398, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 154 ASN HB2 154 ASN HND2 5.06
&rst
ixpk= 0, nxpk= 0, iat=2397,2403, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 154 ASN HB3 154 ASN HND2 5.11
&rst
ixpk= 0, nxpk= 0, iat=2398,2403, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 153 SER QB 154 ASN HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2398, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2386,2387,
&end
#
# 160 GLY HA3 161 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2478,2486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 SER QB 154 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2386,2387,
&end
#
# 154 ASN HB2 154 ASN HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat=2397,2398, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 155 GLY HA2 155 GLY HA3 3.81
&rst
ixpk= 0, nxpk= 0, iat=2409,2410, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 156 GLY HA2 157 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2431,2432,2433,
&end
#
# 156 GLY HA2 175 MET QE 4.98
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2754,2755,2756,
&end
#
# 156 GLY HA3 175 MET QE 4.89
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2754,2755,2756,
&end
#
# 156 GLY HA3 180 GLU- QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2816,2817,
&end
#
# 157 VAL HN 175 MET QE 4.99
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2754,2755,2756,
&end
#
# 157 VAL HA 157 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat=2423, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2427,2428,2429,
&end
#
# 157 VAL HA 157 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat=2423, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2431,2432,2433,
&end
#
# 157 VAL HA 157 VAL HB 4.63
&rst
ixpk= 0, nxpk= 0, iat=2423,2425, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 157 VAL HB 176 GLY HA2 5.32
&rst
ixpk= 0, nxpk= 0, iat=2425,2762, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 157 VAL HB 176 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2425,2763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 157 VAL HB 157 VAL QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat=2425, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2427,2428,2429,
&end
#
# 157 VAL HB 157 VAL QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat=2425, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2431,2432,2433,
&end
#
# 157 VAL QG1 176 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2427,2428,2429,
&end
#
# 157 VAL QG1 176 GLY HA2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2762, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2427,2428,2429,
&end
#
# 157 VAL HN 157 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2431,2432,2433,
&end
#
# 157 VAL QG2 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2431,2432,2433,
&end
#
# 157 VAL QG2 176 GLY HA2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2762, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2431,2432,2433,
&end
#
# 157 VAL QG2 176 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2431,2432,2433,
&end
#
# 158 VAL HA 158 VAL QG1 4.99
&rst
ixpk= 0, nxpk= 0, iat=2439, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2443,2444,2445,
&end
#
# 158 VAL HB 158 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2443,2444,2445,
&end
#
# 158 VAL QG1 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2443,2444,2445,
igr2=2490,2498,
&end
#
# 158 VAL QG1 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2443,2444,2445,
&end
#
# 158 VAL QG1 173 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2443,2444,2445,
igr2=2720,2721,2722,
&end
#
# 173 ILE QG2 173 ILE HG12 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2713,2714,2715,
&end
#
# 158 VAL HB 158 VAL QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2447,2448,2449,
&end
#
# 158 VAL HA 158 VAL QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2439, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2447,2448,2449,
&end
#
# 158 VAL QG2 173 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=2447,2448,2449,
igr2=2720,2721,2722,
&end
#
# 159 LYS+ HA 159 LYS+ QD 3.77
&rst
ixpk= 0, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2463,2464,
&end
#
# 159 LYS+ HA 159 LYS+ HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=2455,2458, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 159 LYS+ HA 159 LYS+ HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat=2455,2457, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 159 LYS+ HA 159 LYS+ HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat=2455,2461, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 159 LYS+ HA 159 LYS+ HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=2455,2460, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 159 LYS+ HB3 174 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2458,2734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HB2 174 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2457,2733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HB2 174 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2457,2734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HB3 159 LYS+ HE2 5.48
&rst
ixpk= 0, nxpk= 0, iat=2458,2466, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 159 LYS+ HB2 174 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2457,2738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HG2 176 GLY HA2 5.47
&rst
ixpk= 0, nxpk= 0, iat=2460,2762, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 159 LYS+ HG2 176 GLY HA3 5.45
&rst
ixpk= 0, nxpk= 0, iat=2460,2763, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 159 LYS+ HG3 176 GLY HA3 4.94
&rst
ixpk= 0, nxpk= 0, iat=2461,2763, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 159 LYS+ HG3 176 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2461,2762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HG2 159 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2460,2467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HG2 159 LYS+ HE2 4.88
&rst
ixpk= 0, nxpk= 0, iat=2460,2466, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 159 LYS+ HG3 159 LYS+ HE3 3.94
&rst
ixpk= 0, nxpk= 0, iat=2461,2467, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 159 LYS+ HB3 159 LYS+ HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=2458,2460, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 159 LYS+ HG2 159 LYS+ QD 4.53
&rst
ixpk= 0, nxpk= 0, iat=2460, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2463,2464,
&end
#
# 159 LYS+ QD 176 GLY HA2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2762, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2463,2464,
&end
#
# 159 LYS+ QD 159 LYS+ HE2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2466, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2463,2464,
&end
#
# 159 LYS+ QD 159 LYS+ HE3 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=2463,2464,
&end
#
# 160 GLY HA2 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2477, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 158 VAL QG1 160 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2478, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2443,2444,2445,
&end
#
# 158 VAL QG1 160 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2477, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2443,2444,2445,
&end
#
# 160 GLY HA2 174 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2477,2730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLY HA3 160 GLY HA2 4.25
&rst
ixpk= 0, nxpk= 0, iat=2478,2477, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 160 GLY HA2 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2477, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 161 PHE HN 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 161 PHE HA 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2490,2498,
&end
#
# 161 PHE HA 161 PHE HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat=2484,2486, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 161 PHE HA 161 PHE HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat=2484,2487, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 161 PHE HD 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2490,2498,
igr2=2713,2714,2715,
&end
#
# 161 PHE HD 171 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=2490,2498,
igr2=2682,2683,2684,
&end
#
# 161 PHE HE 171 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=2492,2496,
igr2=2682,2683,2684,
&end
#
# 144 GLU- HG2 161 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2492,2496,
&end
#
# 144 GLU- HB3 161 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2492,2496,
&end
#
# 147 LEU HA 147 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2284,2285,2286,
&end
#
# 147 LEU QD1 148 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2284,2285,2286,
&end
#
# 144 GLU- HA 147 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2284,2285,2286,
&end
#
# 199 LEU HA 199 LEU QD2 5.44
&rst
ixpk= 0, nxpk= 0, iat=3097, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=3108,3109,3110,
&end
#
# 199 LEU HB2 199 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=3099, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=3108,3109,3110,
&end
#
# 162 LYS+ HN 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 162 LYS+ HA 162 LYS+ QB 3.76
&rst
ixpk= 0, nxpk= 0, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2506,2507,
&end
#
# 162 LYS+ QB 162 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2506,2507,
&end
#
# 162 LYS+ QB 162 LYS+ HE2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2506,2507,
&end
#
# 162 LYS+ HG2 162 LYS+ HE2 4.94
&rst
ixpk= 0, nxpk= 0, iat=2509,2515, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 162 LYS+ QB 162 LYS+ HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2509, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2506,2507,
&end
#
# 162 LYS+ QB 162 LYS+ HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2510, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2506,2507,
&end
#
# 162 LYS+ QB 208 ILE QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2506,2507,
igr2=3249,3250,3251,
&end
#
# 162 LYS+ HG3 162 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2510,2515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HG3 162 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2510,2516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HA 162 LYS+ HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat=2504,2510, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 163 PHE HN 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 163 PHE HA 163 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2526,2528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 163 PHE HA 163 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2526,2529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 163 PHE HB3 164 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2529,2546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 163 PHE HB2 164 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2528,2546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 163 PHE HE 171 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=2534,2538,
igr2=2682,2683,2684,
&end
#
# 147 LEU QD1 163 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2284,2285,2286,
igr2=2534,2538,
&end
#
# 164 PHE HA 164 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2546,2549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 PHE HA 164 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2546,2548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 PHE HD 172 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2552,2560,
igr2=2697,2698,2699,
&end
#
# 169 LYS+ HN 169 LYS+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2649,2650,
&end
#
# 169 LYS+ HN 169 LYS+ QG 5.38
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2646,2647,
&end
#
# 169 LYS+ QG 169 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2646,2647,
&end
#
# 169 LYS+ HA 169 LYS+ QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2646,2647,
&end
#
# 169 LYS+ QB 169 LYS+ QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2643,2644,
igr2=2646,2647,
&end
#
# 169 LYS+ QG 169 LYS+ HE2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2652, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2646,2647,
&end
#
# 170 MET HA 170 MET HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat=2663,2666, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 170 MET HA 170 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2663,2665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HA 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2663, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 170 MET HA 170 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2663,2669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HA 170 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2663,2668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HA 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2663, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 170 MET HB2 170 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2665,2669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HB3 170 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2666,2669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HB3 170 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2666,2668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HB2 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2665, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 167 ASP- HB3 170 MET QE 5.08
&rst
ixpk= 0, nxpk= 0, iat=2608, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2672,2673,2674,
&end
#
# 170 MET HG3 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2669, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 170 MET HG2 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 136 SER HB3 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 167 ASP- HB2 170 MET QE 5.03
&rst
ixpk= 0, nxpk= 0, iat=2607, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2672,2673,2674,
&end
#
# 164 PHE HB3 171 ALA HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=2549,2680, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 171 ALA HA 171 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat=2680, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2682,2683,2684,
&end
#
# 163 PHE HZ 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2536, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 162 LYS+ HA 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 163 PHE HB3 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2529, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 163 PHE HB2 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 134 HIS HA 172 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU HA 172 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=2690, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2701,2702,2703,
&end
#
# 172 LEU HA 172 LEU HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat=2690,2693, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 172 LEU HA 172 LEU HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat=2690,2692, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 172 LEU HA 172 LEU HG 5.38
&rst
ixpk= 0, nxpk= 0, iat=2690,2695, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 172 LEU HB2 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 172 LEU HB3 172 LEU HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat=2693,2692, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 172 LEU HB3 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2693, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 172 LEU HB3 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2693, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 172 LEU HB2 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 172 LEU HB3 208 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2693,3247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HA 172 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 PHE HD 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2552,2560,
igr2=2701,2702,2703,
&end
#
# 134 HIS HB3 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 164 PHE HE 172 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2554,2558,
igr2=2697,2698,2699,
&end
#
# 172 LEU HA 172 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2697,2698,2699,
&end
#
# 172 LEU QD1 206 SER HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,3222, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2697,2698,2699,
&end
#
# 172 LEU QD1 206 SER HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,3223, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2697,2698,2699,
&end
#
# 134 HIS HA 172 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2697,2698,2699,
&end
#
# 172 LEU HB3 172 LEU QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=2693, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2697,2698,2699,
&end
#
# 172 LEU QD2 172 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2701,2702,2703,
igr2=2697,2698,2699,
&end
#
# 172 LEU HB2 172 LEU QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2697,2698,2699,
&end
#
# 172 LEU QD1 208 ILE QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=2697,2698,2699,
igr2=3249,3250,3251,
&end
#
# 172 LEU QD2 206 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2701,2702,2703,
&end
#
# 133 LEU HN 173 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 PHE HE 173 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2492,2496,
&end
#
# 173 ILE HA 173 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2709,2711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 ILE HB 173 ILE HG12 5.14
&rst
ixpk= 0, nxpk= 0, iat=2711,2717, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 173 ILE HB 173 ILE HG13 5.06
&rst
ixpk= 0, nxpk= 0, iat=2711,2718, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 173 ILE QD1 173 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2718, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2720,2721,2722,
&end
#
# 173 ILE HG12 173 ILE HG13 4.64
&rst
ixpk= 0, nxpk= 0, iat=2717,2718, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 173 ILE HG12 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2717,2726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 ILE HN 173 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=2707,2717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HN 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 172 LEU HA 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 133 LEU QD2 173 ILE QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2081,2082,2083,
igr2=2713,2714,2715,
&end
#
# 173 ILE HB 173 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=2711, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2713,2714,2715,
&end
#
# 133 LEU HG 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 151 PHE HB2 173 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2720,2721,2722,
&end
#
# 151 PHE HB3 173 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2720,2721,2722,
&end
#
# 148 LYS+ HA 151 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2296,2355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 VAL QG1 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2443,2444,2445,
&end
#
# 132 THR QG2 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2060,2061,2062,
&end
#
# 133 LEU HN 174 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HA 174 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2728,2734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HA 174 GLN HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat=2728,2733, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 174 GLN HA 174 GLN HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat=2728,2730, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 174 GLN HA 174 GLN HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=2728,2731, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 132 THR QG2 174 GLN HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2728, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2060,2061,2062,
&end
#
# 160 GLY HN 174 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLY HN 174 GLN HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat=2475,2734, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 132 THR HA 174 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2056,2733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG2 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2733, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 174 GLN HG3 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2734, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 173 ILE QG2 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2743, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2713,2714,2715,
&end
#
# 175 MET HA 176 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2745,2762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET HA 175 MET HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat=2745,2747, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 158 VAL QG2 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2447,2448,2449,
&end
#
# 175 MET HB3 175 MET QE 4.47
&rst
ixpk= 0, nxpk= 0, iat=2748, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2754,2755,2756,
&end
#
# 151 PHE HB3 175 MET QE 5.21
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2754,2755,2756,
&end
#
# 175 MET QE 184 ALA QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=2754,2755,2756,
igr2=2871,2872,2873,
&end
#
# 159 LYS+ QD 176 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2463,2464,
&end
#
# 178 VAL HA 178 VAL HB 4.90
&rst
ixpk= 0, nxpk= 0, iat=2780,2782, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 178 VAL HA 181 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=2780, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2828,2829,2830,
&end
#
# 132 THR HN 178 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2788,2789,2790,
&end
#
# 178 VAL HB 178 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=2782, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2788,2789,2790,
&end
#
# 179 GLU- HA 179 GLU- HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat=2796,2802, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 179 GLU- HA 179 GLU- HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=2796,2801, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 179 GLU- HA 179 GLU- HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat=2796,2798, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 179 GLU- HA 179 GLU- HB3 4.44
&rst
ixpk= 0, nxpk= 0, iat=2796,2799, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 179 GLU- HB3 179 GLU- HG3 4.39
&rst
ixpk= 0, nxpk= 0, iat=2799,2802, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 179 GLU- HB2 179 GLU- HG3 4.48
&rst
ixpk= 0, nxpk= 0, iat=2798,2802, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 180 GLU- HA 180 GLU- QG 4.42
&rst
ixpk= 0, nxpk= 0, iat=2811, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2816,2817,
&end
#
# 180 GLU- HA 183 GLN QB 4.39
&rst
ixpk= 0, nxpk= 0, iat=2811, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2854,2855,
&end
#
# 156 GLY HA2 180 GLU- QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2816,2817,
&end
#
# 131 ALA QB 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 181 ALA QB 182 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2834, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2828,2829,2830,
&end
#
# 181 ALA QB 203 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2828,2829,2830,
igr2=3175,3179,
&end
#
# 181 ALA QB 181 ALA HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2826, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2828,2829,2830,
&end
#
# 181 ALA QB 182 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2836, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2828,2829,2830,
&end
#
# 181 ALA QB 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2828,2829,2830,
igr2=2886,2887,2888,
&end
#
# 133 LEU HG 181 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2828,2829,2830,
&end
#
# 175 MET HB3 181 ALA QB 4.93
&rst
ixpk= 0, nxpk= 0, iat=2748, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2828,2829,2830,
&end
#
# 181 ALA QB 184 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2828,2829,2830,
igr2=2871,2872,2873,
&end
#
# 133 LEU QD1 181 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=2077,2078,2079,
igr2=2828,2829,2830,
&end
#
# 182 VAL HA 185 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2836,2881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 182 VAL HA 182 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2840,2841,2842,
&end
#
# 182 VAL HA 185 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2836,2882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 182 VAL HA 185 LEU QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2886,2887,2888,
&end
#
# 182 VAL HA 182 VAL QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2844,2845,2846,
&end
#
# 182 VAL HA 182 VAL HB 4.81
&rst
ixpk= 0, nxpk= 0, iat=2836,2838, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 182 VAL QG1 182 VAL HB 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2838, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2840,2841,2842,
&end
#
# 182 VAL HB 182 VAL QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2838, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2844,2845,2846,
&end
#
# 183 GLN HA 185 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2852,2877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HA 183 GLN HG3 5.04
&rst
ixpk= 0, nxpk= 0, iat=2852,2858, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 182 VAL QG1 183 GLN HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2852, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=2840,2841,2842,
&end
#
# 183 GLN HA 186 ILE QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat=2852, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2909,2910,2911,
&end
#
# 183 GLN HA 183 GLN QB 4.40
&rst
ixpk= 0, nxpk= 0, iat=2852, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2854,2855,
&end
#
# 183 GLN HA 186 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2852, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2902,2903,2904,
&end
#
# 183 GLN QB 183 GLN HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2857, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2854,2855,
&end
#
# 183 GLN HA 183 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2852,2857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HNE1 186 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2862, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2902,2903,2904,
&end
#
# 184 ALA QB 184 ALA HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2869, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2871,2872,2873,
&end
#
# 184 ALA HA 187 ASP- HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat=2869,2920, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 184 ALA HA 187 ASP- HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat=2869,2919, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 184 ALA HA 185 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2869,2879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 184 ALA QB 186 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2871,2872,2873,
&end
#
# 181 ALA HA 184 ALA QB 5.25
&rst
ixpk= 0, nxpk= 0, iat=2826, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2871,2872,2873,
&end
#
# 184 ALA QB 187 ASP- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2920, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2871,2872,2873,
&end
#
# 184 ALA QB 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2871,2872,2873,
igr2=2940,2941,2942,
&end
#
# 184 ALA QB 188 LEU QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=2871,2872,2873,
igr2=2936,2937,2938,
&end
#
# 151 PHE HB3 184 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2871,2872,2873,
&end
#
# 175 MET QG 184 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=2750,2751,
igr2=2871,2872,2873,
&end
#
# 184 ALA QB 187 ASP- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2871,2872,2873,
&end
#
# 185 LEU HA 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2886,2887,2888,
&end
#
# 185 LEU HA 185 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2890,2891,2892,
&end
#
# 185 LEU HA 185 LEU HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat=2879,2881, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 185 LEU HA 185 LEU HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=2879,2882, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 185 LEU HA 201 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=3144,3145,3146,
&end
#
# 184 ALA QB 185 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2871,2872,2873,
&end
#
# 185 LEU HB2 185 LEU HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat=2881,2882, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 185 LEU HB2 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2881, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2886,2887,2888,
&end
#
# 185 LEU HB3 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2882, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2886,2887,2888,
&end
#
# 185 LEU HB2 185 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2881,2884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 185 LEU HN 185 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2877,2884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 185 LEU HB3 185 LEU HG 4.97
&rst
ixpk= 0, nxpk= 0, iat=2882,2884, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 185 LEU QD1 185 LEU HG 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2884, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD2 203 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2890,2891,2892,
igr2=3175,3179,
&end
#
# 185 LEU QD2 189 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD2 189 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2950, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 34 LEU HA 185 LEU QD2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=2890,2891,2892,
&end
#
# 33 ILE HA 185 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2890,2891,2892,
&end
#
# 185 LEU HB3 185 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=2882, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=2890,2891,2892,
&end
#
# 185 LEU HB2 185 LEU QD2 5.15
&rst
ixpk= 0, nxpk= 0, iat=2881, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2890,2891,2892,
&end
#
# 185 LEU HG 185 LEU QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat=2884, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2890,2891,2892,
&end
#
# 185 LEU QD1 185 LEU QD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=2886,2887,2888,
igr2=2890,2891,2892,
&end
#
# 33 ILE QG2 185 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 480, 481, 482,
igr2=2890,2891,2892,
&end
#
# 185 LEU QD2 186 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2890,2891,2892,
igr2=2902,2903,2904,
&end
#
# 37 VAL QG2 185 LEU QD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 549, 550, 551,
igr2=2890,2891,2892,
&end
#
# 185 LEU QD1 202 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD1 203 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2886,2887,2888,
igr2=3173,3181,
&end
#
# 37 VAL HN 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2886,2887,2888,
&end
#
# 185 LEU QD1 202 SER HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,3156, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD1 201 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3142, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD1 201 VAL QG1 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=2886,2887,2888,
igr2=3144,3145,3146,
&end
#
# 186 ILE HA 186 ILE HB 5.21
&rst
ixpk= 0, nxpk= 0, iat=2898,2900, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 186 ILE HA 186 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=2898, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2902,2903,2904,
&end
#
# 33 ILE QG2 186 ILE HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2898, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 480, 481, 482,
&end
#
# 185 LEU HG 186 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2884,2898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 185 LEU QD2 186 ILE HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2898, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2890,2891,2892,
&end
#
# 186 ILE HB 186 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat=2900, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2909,2910,2911,
&end
#
# 186 ILE QG2 186 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=2902,2903,2904,
igr2=2909,2910,2911,
&end
#
# 183 GLN HG3 186 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2858, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2909,2910,2911,
&end
#
# 31 LEU HN 186 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2902,2903,2904,
&end
#
# 30 SER HB3 186 ILE QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2902,2903,2904,
&end
#
# 30 SER HB2 186 ILE QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2902,2903,2904,
&end
#
# 186 ILE HB 186 ILE QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=2900, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2902,2903,2904,
&end
#
# 187 ASP- HA 187 ASP- HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat=2917,2920, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 187 ASP- HA 187 ASP- HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat=2917,2919, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 187 ASP- HB2 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2919, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 187 ASP- HB2 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2919, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 187 ASP- HB3 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2920, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 188 LEU HA 188 LEU HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat=2929,2931, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 188 LEU HA 188 LEU HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=2929,2932, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 188 LEU HB3 188 LEU HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat=2932,2931, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 188 LEU HB2 188 LEU HG 5.40
&rst
ixpk= 0, nxpk= 0, iat=2931,2934, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 188 LEU HA 188 LEU QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat=2929, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2936,2937,2938,
&end
#
# 184 ALA HA 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2869, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 150 LEU HA 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 151 PHE HB2 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2355, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 151 PHE HB3 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 188 LEU HB2 188 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=2931, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2936,2937,2938,
&end
#
# 188 LEU HB3 188 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=2932, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2936,2937,2938,
&end
#
# 188 LEU HG 188 LEU QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=2934, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2936,2937,2938,
&end
#
# 188 LEU QD1 199 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=2936,2937,2938,
igr2=3104,3105,3106,
&end
#
# 188 LEU QD1 188 LEU QD2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2936,2937,2938,
igr2=2940,2941,2942,
&end
#
# 150 LEU HN 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 151 PHE HE 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2361,2365,
igr2=2940,2941,2942,
&end
#
# 188 LEU QD2 191 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2990, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 188 LEU HA 188 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat=2929, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2940,2941,2942,
&end
#
# 184 ALA HA 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2869, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 188 LEU QD2 191 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2982, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 150 LEU HA 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 188 LEU QD2 191 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2981, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 150 LEU HB3 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 188 LEU HB2 188 LEU QD2 4.60
&rst
ixpk= 0, nxpk= 0, iat=2931, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2940,2941,2942,
&end
#
# 188 LEU HB3 188 LEU QD2 4.85
&rst
ixpk= 0, nxpk= 0, iat=2932, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2940,2941,2942,
&end
#
# 188 LEU HG 188 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat=2934, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2940,2941,2942,
&end
#
# 188 LEU QD2 199 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2940,2941,2942,
igr2=3104,3105,3106,
&end
#
# 189 HIS HN 201 VAL QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat=2946, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=3148,3149,3150,
&end
#
# 189 HIS HN 201 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2946, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3144,3145,3146,
&end
#
# 189 HIS HA 189 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2948,2951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HA 189 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2948,2950, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HE1 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2956,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HE1 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2956,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HB3 190 ASN HND2 5.41
&rst
ixpk= 0, nxpk= 0, iat=2968,2973, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 190 ASN HA 190 ASN HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=2965,2968, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 190 ASN HA 190 ASN HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat=2965,2967, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 190 ASN HB3 190 ASN HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat=2968,2967, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 191 HIS HA 191 HIS HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat=2979,2982, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 191 HIS HA 191 HIS HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat=2979,2981, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 188 LEU HA 191 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2929,2982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU HA 191 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2929,2981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HB3 191 HIS HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat=2982,2981, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 191 HIS HD2 193 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2990,3008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HB2 191 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2981,2990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HA 194 GLY HN 4.85
&rst
ixpk= 0, nxpk= 0, iat=2996,3025, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 192 ASP- HA 198 HIS HA 5.04
&rst
ixpk= 0, nxpk= 0, iat=2996,3080, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 192 ASP- HA 192 ASP- HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat=2996,2999, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 192 ASP- HA 192 ASP- HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat=2996,2998, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 192 ASP- HA 193 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3010,3011,
&end
#
# 192 ASP- HA 193 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3015,3016,3017,
&end
#
# 192 ASP- HB3 194 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2999,3025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 193 LEU HA 193 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=3008, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3010,3011,
&end
#
# 193 LEU QB 193 LEU QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=3010,3011,
igr2=3015,3016,3017,
&end
#
# 193 LEU HA 193 LEU QD2 5.28
&rst
ixpk= 0, nxpk= 0, iat=3008, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=3019,3020,3021,
&end
#
# 193 LEU QB 193 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=3010,3011,
igr2=3019,3020,3021,
&end
#
# 193 LEU HN 193 LEU QD1 5.38
&rst
ixpk= 0, nxpk= 0, iat=3006, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=3015,3016,3017,
&end
#
# 193 LEU HA 193 LEU QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat=3008, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=3015,3016,3017,
&end
#
# 191 HIS HB2 193 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2981, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3015,3016,3017,
&end
#
# 191 HIS HB3 193 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=2982, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3015,3016,3017,
&end
#
# 194 GLY HA3 194 GLY HA2 4.12
&rst
ixpk= 0, nxpk= 0, iat=3028,3027, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 194 GLY HA3 195 GLU- QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=3028, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3039,3040,
&end
#
# 194 GLY HN 195 GLU- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 195 GLU- HA 195 GLU- QG 4.14
&rst
ixpk= 0, nxpk= 0, iat=3034, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=3039,3040,
&end
#
# 195 GLU- QB 195 GLU- QG 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=3036,3037,
igr2=3039,3040,
&end
#
# 196 ASN HA 196 ASN HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat=3049,3051, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 196 ASN HA 196 ASN HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat=3049,3052, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 197 HIS HB3 197 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3066,3074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 197 HIS HA 197 HIS HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat=3063,3066, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 198 HIS HA 198 HIS HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat=3080,3082, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 198 HIS HA 198 HIS HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat=3080,3083, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 190 ASN HA 198 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2965,3083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HA 198 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2965,3082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HA 199 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3097,3099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HA 199 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3097,3100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HB3 199 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=3100,3102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HB3 199 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3100, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3108,3109,3110,
&end
#
# 199 LEU HB2 199 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat=3099, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=3104,3105,3106,
&end
#
# 199 LEU HA 199 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=3097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3104,3105,3106,
&end
#
# 199 LEU HB3 199 LEU QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat=3100, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=3104,3105,3106,
&end
#
# 199 LEU HG 199 LEU QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat=3102, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=3104,3105,3106,
&end
#
# 189 HIS HE1 200 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2956,3116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HA 200 ARG+ HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat=3116,3118, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 200 ARG+ HA 200 ARG+ HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=3116,3119, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 200 ARG+ HA 200 ARG+ HG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=3116,3121, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 200 ARG+ HG3 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3122,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HA 200 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3116,3122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HA 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3116,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HA 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3116,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HN 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3114,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HN 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3114,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB2 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2138,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB2 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2138,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB3 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2139,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB3 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2139,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HG3 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3122,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HG3 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3122,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HND1 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2143,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HND2 200 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2144,3124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HND2 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2144,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HA 201 VAL HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=2106,3140, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 185 LEU HN 201 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2877,3142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL HA 201 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=3140,3142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 202 SER HA 202 SER HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat=3156,3158, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 202 SER HA 202 SER HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat=3156,3159, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 134 HIS HB2 202 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2091,3159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HN 203 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087,3167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 203 PHE HA 203 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3167,3169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU QD1 203 PHE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,3167, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2077,2078,2079,
&end
#
# 203 PHE HB2 203 PHE HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat=3169,3170, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 133 LEU QD1 203 PHE HE 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=2077,2078,2079,
igr2=3175,3179,
&end
#
# 182 VAL HB 203 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3175,3179,
&end
#
# 133 LEU QD1 204 SER HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2077,2078,2079,
&end
#
# 127 PHE HE 204 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1995,1999,
&end
#
# 204 SER HA 204 SER HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat=3187,3190, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 204 SER HA 204 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3187,3189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 204 SER HB3 204 SER HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat=3190,3189, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 134 HIS HB3 204 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2092,3189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HB3 204 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2092,3190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 205 LYS+ HA 205 LYS+ HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat=3198,3201, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 205 LYS+ HA 205 LYS+ HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat=3198,3200, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 205 LYS+ HB2 205 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=3200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3209,3210,
&end
#
# 205 LYS+ HB3 205 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=3201, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3209,3210,
&end
#
# 127 PHE HD 205 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1993,2001,
&end
#
# 127 PHE HE 205 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1995,1999,
&end
#
# 205 LYS+ HB3 205 LYS+ QD 4.88
&rst
ixpk= 0, nxpk= 0, iat=3201, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=3206,3207,
&end
#
# 205 LYS+ HB2 205 LYS+ QG 4.25
&rst
ixpk= 0, nxpk= 0, iat=3200, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=3203,3204,
&end
#
# 205 LYS+ HB3 205 LYS+ QG 4.33
&rst
ixpk= 0, nxpk= 0, iat=3201, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=3203,3204,
&end
#
# 205 LYS+ QG 205 LYS+ QE 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3203,3204,
igr2=3209,3210,
&end
#
# 205 LYS+ HA 205 LYS+ QD 5.36
&rst
ixpk= 0, nxpk= 0, iat=3198, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=3206,3207,
&end
#
# 205 LYS+ QD 205 LYS+ QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=3206,3207,
igr2=3209,3210,
&end
#
# 205 LYS+ QG 205 LYS+ QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=3203,3204,
igr2=3206,3207,
&end
#
# 205 LYS+ HB2 205 LYS+ QD 4.33
&rst
ixpk= 0, nxpk= 0, iat=3200, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=3206,3207,
&end
#
# 132 THR QG2 206 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3218, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2060,2061,2062,
&end
#
# 206 SER HA 206 SER HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=3220,3223, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 206 SER HA 206 SER HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat=3220,3222, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 206 SER HA 207 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3235,3236,3237,
&end
#
# 207 THR HA 207 THR HB 3.99
&rst
ixpk= 0, nxpk= 0, iat=3231,3233, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 207 THR QG2 207 THR HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,3233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=3235,3236,3237,
&end
#
# 207 THR HA 208 ILE HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=3231,3245, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 162 LYS+ HE3 208 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2516,3245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 208 ILE HA 208 ILE HB 4.26
&rst
ixpk= 0, nxpk= 0, iat=3245,3247, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 208 ILE HA 208 ILE QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=3245, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=3249,3250,3251,
&end
#
# 208 ILE HA 208 ILE HG13 4.91
&rst
ixpk= 0, nxpk= 0, iat=3245,3254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 208 ILE HB 208 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat=3247, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=3256,3257,3258,
&end
#
# 208 ILE HB 208 ILE HG12 5.09
&rst
ixpk= 0, nxpk= 0, iat=3247,3253, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 208 ILE QD1 208 ILE HG12 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,3253, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=3256,3257,3258,
&end
#
# 208 ILE QD1 208 ILE HG13 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,3254, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=3256,3257,3258,
&end
#
# 160 GLY HN 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 162 LYS+ HA 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 160 GLY HA3 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 162 LYS+ HE3 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 162 LYS+ HE2 208 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2515, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3249,3250,3251,
&end
#
# 208 ILE QG2 208 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=3249,3250,3251,
igr2=3256,3257,3258,
&end
#
# 208 ILE HB 208 ILE QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=3247, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=3249,3250,3251,
&end
#
# 16 LEU HN 56 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 874, 875, 876,
&end
#
# 56 VAL QG2 57 GLN HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 874, 875, 876,
&end
#
# 127 PHE HE 205 LYS+ QE 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1995,1999,
igr2=3209,3210,
&end
#
# 47 LEU HN 54 ALA QB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 839, 840, 841,
&end
#
# 101 GLN HA 102 GLY HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1567,1582, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 112 LEU HN 112 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1736,1737,1738,
&end
#
# 103 LEU HN 103 LEU HA 4.84
&rst
ixpk= 0, nxpk= 0, iat=1589,1591, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 136 SER HA 136 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 LYS+ HB2 149 VAL HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=2298,2316, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 132 THR QG2 133 LEU HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2060,2061,2062,
&end
#
# 17 LEU QD2 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 44 VAL QG2 56 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= 662, 663, 664,
igr2= 874, 875, 876,
&end
#
# 17 LEU QD2 19 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 203 PHE HA 203 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3167,3170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HB3 128 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1990,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HA 52 GLU- HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 808, 813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 LEU HB3 34 LEU HG 4.83
&rst
ixpk= 0, nxpk= 0, iat= 498, 500, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 26 VAL QG1 27 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 369, 370, 371,
&end
#
# 27 THR QG2 29 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 195 GLU- HA 195 GLU- QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=3034, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=3036,3037,
&end
#
# 28 PRO HA 28 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 403, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HG3 33 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 29 GLN HG2 33 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 33 ILE QG2 186 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 480, 481, 482,
&end
#
# 17 LEU HB2 17 LEU HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 221, 222, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 107 TYR HD 110 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1673,
&end
#
# 43 ARG+ HA 93 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1451,1452,1453,
&end
#
# 43 ARG+ QB 93 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 632, 633,
igr2=1451,1452,1453,
&end
#
# 43 ARG+ HD3 93 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1451,1452,1453,
&end
#
# 43 ARG+ HD2 93 LEU QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1451,1452,1453,
&end
#
# 44 VAL HN 93 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1451,1452,1453,
&end
#
# 201 VAL HA 201 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat=3140, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=3144,3145,3146,
&end
#
# 161 PHE HA 208 ILE QG2 5.24
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=3249,3250,3251,
&end
#
# 125 ASN HN 126 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HN 105 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1608,1624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HN 52 GLU- HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 806, 811, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 52 GLU- HA 52 GLU- HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 808, 811, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 LEU QD2 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 66 LEU HB3 66 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1014,1015,1016,
&end
#
# 133 LEU HB2 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 44 VAL QG2 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 662, 663, 664,
&end
#
# 39 GLY HA3 58 MET QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 908, 909, 910,
&end
#
# 34 LEU HA 34 LEU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 495, 498, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 15 VAL QG1 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 188, 189, 190,
igr2= 978, 979, 980,
&end
#
# 38 TYR HB3 66 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HB 83 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1282,1283,1284,
&end
#
# 16 LEU QD2 68 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 211, 212, 213,
&end
#
# 16 LEU QD1 68 MET QE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 207, 208, 209,
igr2=1041,1042,1043,
&end
#
# 141 SER HB3 141 SER HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat=2200,2199, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 74 HIS HA 75 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1117,1137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU QD1 74 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 502, 503, 504,
&end
#
# 34 LEU QD1 74 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 502, 503, 504,
&end
#
# 140 PRO HB3 140 PRO HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat=2189,2188, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 80 PRO HA 81 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1229,1237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HA 81 ILE QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1239,1240,1241,
&end
#
# 18 VAL QG2 83 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 246, 247, 248,
&end
#
# 18 VAL QG1 83 ILE HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 242, 243, 244,
&end
#
# 82 ARG+ HA 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1254,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU QD2 35 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 211, 212, 213,
igr2= 520, 528,
&end
#
# 17 LEU HB3 84 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1301,1302,1303,
&end
#
# 65 GLN HNE2 85 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 37 VAL QG2 37 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 549, 550, 551,
&end
#
# 94 PRO HD2 94 PRO HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1462,1465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 PRO HD3 23 PRO HG3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 312, 315, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 94 PRO HD2 94 PRO HG3 4.89
&rst
ixpk= 0, nxpk= 0, iat=1462,1466, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 95 ARG+ HA 95 ARG+ QG 3.73
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1482,1483,
&end
#
# 95 ARG+ QG 95 ARG+ QD 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1482,1483,
igr2=1485,1486,
&end
#
# 89 GLN HB3 89 GLN HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat=1383,1382, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 126 ILE HA 126 ILE HG12 4.49
&rst
ixpk= 0, nxpk= 0, iat=1968,1976, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 PHE HZ 110 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLY QA 109 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1679,1680,
&end
#
# 32 PHE HZ 110 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN QB 101 GLN QG 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1569,1570,
igr2=1572,1573,
&end
#
# 126 ILE HA 126 ILE HB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1968,1970, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 123 PHE HD 126 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1923,1931,
&end
#
# 46 ILE HG13 46 ILE HG12 4.75
&rst
ixpk= 0, nxpk= 0, iat= 701, 700, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 129 PRO HA 130 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2029,2037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ALA QB 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 133 LEU HA 133 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2070,2075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HA 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HA 134 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 171 ALA QB 172 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2690, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2682,2683,2684,
&end
#
# 135 LEU HB3 138 ILE QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2161,2162,2163,
&end
#
# 134 HIS HA 135 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2113,2114,2115,
&end
#
# 135 LEU QD2 151 PHE HZ 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2117,2118,2119,
&end
#
# 136 SER HA 170 MET HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=2125,2663, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 135 LEU HB2 136 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2108,2125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HB3 170 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2128,2668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PRO HD3 139 PRO HD2 5.13
&rst
ixpk= 0, nxpk= 0, iat=2169,2168, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 138 ILE QG2 138 ILE QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=2154,2155,2156,
igr2=2158,2159,
&end
#
# 135 LEU QD1 173 ILE HB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2113,2114,2115,
&end
#
# 135 LEU QD2 201 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2117,2118,2119,
igr2=3148,3149,3150,
&end
#
# 139 PRO HD2 139 PRO HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat=2168,2174, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 23 PRO HB2 23 PRO HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 317, 320, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 177 SER HN 177 SER HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=2767,2769, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 144 GLU- HA 147 LEU HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat=2235,2279, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 142 VAL QG2 146 ASP- HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2216,2217,2218,
&end
#
# 144 GLU- HA 147 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2288,2289,2290,
&end
#
# 142 VAL QG1 146 ASP- HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2212,2213,2214,
&end
#
# 142 VAL QG1 146 ASP- HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2212,2213,2214,
&end
#
# 150 LEU HB2 151 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2359,2367,
&end
#
# 27 THR HA 28 PRO HD3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 381, 395, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 173 ILE HA 173 ILE HG12 4.99
&rst
ixpk= 0, nxpk= 0, iat=2709,2717, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 149 VAL QG1 152 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2322,2323,2324,
&end
#
# 158 VAL QG1 161 PHE HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2486, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2443,2444,2445,
&end
#
# 159 LYS+ HG3 159 LYS+ HE2 4.13
&rst
ixpk= 0, nxpk= 0, iat=2461,2466, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 151 PHE HD 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2359,2367,
igr2=2713,2714,2715,
&end
#
# 159 LYS+ HB2 160 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2457,2477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HB2 160 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2457,2478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR HA 28 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 381, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 ILE HA 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2709, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 147 LEU QD1 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2284,2285,2286,
igr2=2490,2498,
&end
#
# 161 PHE HA 162 LYS+ QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2506,2507,
&end
#
# 162 LYS+ HE2 172 LEU QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat=2515, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2697,2698,2699,
&end
#
# 162 LYS+ HE3 172 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2697,2698,2699,
&end
#
# 172 LEU QD1 208 ILE HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,3245, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2697,2698,2699,
&end
#
# 172 LEU HG 172 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=2695, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2697,2698,2699,
&end
#
# 133 LEU HB3 173 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2073,2711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 ILE QD1 173 ILE HG12 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2720,2721,2722,
&end
#
# 173 ILE QG2 173 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2718, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2713,2714,2715,
&end
#
# 133 LEU HB3 173 ILE QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2713,2714,2715,
&end
#
# 161 PHE HB3 173 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2720,2721,2722,
&end
#
# 161 PHE HB3 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 161 PHE HB2 173 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2486, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2720,2721,2722,
&end
#
# 173 ILE QG2 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2713,2714,2715,
igr2=2754,2755,2756,
&end
#
# 158 VAL HB 173 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2720,2721,2722,
&end
#
# 159 LYS+ HN 174 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG2 208 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=2733,3253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 157 VAL QG1 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2427,2428,2429,
&end
#
# 158 VAL HN 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 182 VAL HA 186 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2909,2910,2911,
&end
#
# 37 VAL HN 185 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2890,2891,2892,
&end
#
# 34 LEU HA 185 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2886,2887,2888,
&end
#
# 30 SER HA 186 ILE QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2902,2903,2904,
&end
#
# 30 SER HB2 31 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 448, 449, 450,
&end
#
# 151 PHE HN 188 LEU QD2 5.44
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2940,2941,2942,
&end
#
# 33 ILE QG2 189 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2950, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 480, 481, 482,
&end
#
# 112 LEU QD2 190 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2972, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1736,1737,1738,
&end
#
# 191 HIS HB3 199 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2982, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3108,3109,3110,
&end
#
# 191 HIS HB2 199 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2981, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3108,3109,3110,
&end
#
# 189 HIS HN 200 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2946,3116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HND1 200 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2143,3125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HB2 202 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2091,3158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HA 204 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2070,3189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HB 204 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2058,3189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR QG2 208 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3245, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2060,2061,2062,
&end
#
# 208 ILE QG2 208 ILE HG13 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,3254, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=3249,3250,3251,
&end
#
# 64 ALA QB 65 GLN HNE2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 978, 979, 980,
&end
#
# 112 LEU QD1 190 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2972, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1732,1733,1734,
&end
#
# 202 SER HB3 202 SER HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat=3159,3158, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 129 PRO HA 203 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2029,3167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE HN 47 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 722, 723, 724,
&end
#
# 132 THR QG2 208 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3253, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2060,2061,2062,
&end
#
# 17 LEU QD2 18 VAL HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 230, 231, 232,
&end
#
# 45 LYS+ HA 46 ILE HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 670, 690, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 179 GLU- HA 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2796,2824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG+ HA 82 ARG+ HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1254,1259, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 27 THR QG2 29 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 33 ILE QG2 34 LEU HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 480, 481, 482,
&end
#
# 22 ASN HND1 25 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE HB3 49 ASN HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 733, 748, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 22 ASN HA 24 GLU- HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL QG2 56 VAL HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 662, 663, 664,
&end
#
# 56 VAL QG2 57 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 56 VAL QG2 57 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 108 GLY QA 109 ASN HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1679,1680,
&end
#
# 35 PHE HA 67 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA QB 68 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1024,1025,1026,
&end
#
# 34 LEU HA 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 73 GLY HA3 81 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1111,1237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 GLY HA2 105 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1584,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HB2 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2161,2162,2163,
&end
#
# 167 ASP- HB2 168 ARG+ HN 5.17
&rst
ixpk= 0, nxpk= 0, iat=2607,2615, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 167 ASP- HB3 168 ARG+ HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=2608,2615, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 173 ILE QG2 174 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2713,2714,2715,
&end
#
# 159 LYS+ QD 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2463,2464,
&end
#
# 181 ALA QB 185 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2877, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2828,2829,2830,
&end
#
# 34 LEU QD2 185 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 506, 507, 508,
igr2=2890,2891,2892,
&end
#
# 33 ILE QD1 189 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 487, 488, 489,
&end
#
# 133 LEU HA 204 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2070,3190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HN 16 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 207, 208, 209,
&end
#
# 109 ASN HN 109 ASN HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat=1684,1689, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 35 PHE HB2 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1024,1025,1026,
&end
#
# 16 LEU QD2 68 MET QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 211, 212, 213,
igr2=1041,1042,1043,
&end
#
# 76 LEU HB2 186 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2909,2910,2911,
&end
#
# 70 HIS HE1 126 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1972,1973,1974,
&end
#
# 146 ASP- HB3 147 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2288,2289,2290,
&end
#
# 144 GLU- HG2 161 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2240,2486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HG3 161 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2241,2486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 VAL QG2 146 ASP- HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2216,2217,2218,
&end
#
# 148 LYS+ HB2 148 LYS+ HE3 4.76
&rst
ixpk= 0, nxpk= 0, iat=2298,2308, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 149 VAL QG1 153 SER QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=2322,2323,2324,
igr2=2386,2387,
&end
#
# 147 LEU QD2 150 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=2288,2289,2290,
igr2=2341,2342,2343,
&end
#
# 156 GLY HA3 157 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2431,2432,2433,
&end
#
# 162 LYS+ QB 208 ILE QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2506,2507,
igr2=3256,3257,3258,
&end
#
# 76 LEU HB3 186 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2909,2910,2911,
&end
#
# 112 LEU QD2 190 ASN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2967, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1736,1737,1738,
&end
#
# 21 LEU HN 21 LEU HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 277, 279, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 42 GLN HG3 43 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 619, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ARG+ HN 82 ARG+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1262,1263,
&end
#
# 82 ARG+ HG2 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1259,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 186 ILE QG2 187 ASP- HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2915, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2902,2903,2904,
&end
#
# 70 HIS HD2 126 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1972,1973,1974,
&end
#
# 15 VAL QG1 91 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 16 LEU QD2 17 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 211, 212, 213,
igr2= 226, 227, 228,
&end
#
# 17 LEU HA 17 LEU QD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 230, 231, 232,
&end
#
# 18 VAL QG2 35 PHE HE 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 246, 247, 248,
igr2= 522, 526,
&end
#
# 18 VAL QG2 35 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 246, 247, 248,
igr2= 520, 528,
&end
#
# 19 SER HB2 21 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 290, 291, 292,
&end
#
# 22 ASN HA 79 LYS+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1207,1208,
&end
#
# 22 ASN HA 79 LYS+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HA 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 326, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HB2 24 GLU- HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 25 ARG+ HB2 25 ARG+ HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 343, 349, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 31 LEU HA 34 LEU HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 437, 498, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 31 LEU QD1 56 VAL QG1 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 444, 445, 446,
igr2= 870, 871, 872,
&end
#
# 35 PHE HA 38 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 565, 570,
&end
#
# 38 TYR HN 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1024,1025,1026,
&end
#
# 41 VAL HA 42 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ QB 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 632, 633,
&end
#
# 46 ILE HN 47 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 722, 723, 724,
&end
#
# 46 ILE QD1 103 LEU HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 703, 704, 705,
&end
#
# 28 PRO HG3 46 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 703, 704, 705,
&end
#
# 28 PRO HG2 46 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 703, 704, 705,
&end
#
# 47 LEU QD1 55 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 718, 719, 720,
&end
#
# 47 LEU QD2 53 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 722, 723, 724,
&end
#
# 151 PHE HA 187 ASP- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2353,2920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PRO HD2 24 GLU- HG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 311, 331, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 55 LEU HA 56 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 847, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HA 56 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 200, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HN 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 62 ASN HB3 65 GLN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 988, 989,
&end
#
# 62 ASN HB2 65 GLN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 988, 989,
&end
#
# 13 ASN HB2 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 62 ASN HA 65 GLN QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 988, 989,
&end
#
# 64 ALA QB 65 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 978, 979, 980,
igr2= 991, 992,
&end
#
# 38 TYR HA 67 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA QB 71 LEU QD2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1024,1025,1026,
igr2=1088,1089,1090,
&end
#
# 16 LEU HG 68 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 205,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HD 71 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 520, 528,
&end
#
# 70 HIS HE1 128 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1068,2007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HB3 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1099,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HB3 83 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1282,1283,1284,
&end
#
# 73 GLY HN 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 73 GLY HA2 80 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1110,1226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU QD2 74 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 76 LEU QD1 81 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1163,1164,1165,
igr2=1246,1247,1248,
&end
#
# 76 LEU QD1 81 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1164,1165,
&end
#
# 79 LYS+ HG3 80 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1205,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 81 ILE QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1239,1240,1241,
&end
#
# 20 ASN HND1 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 76 LEU QD1 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1163,1164,1165,
igr2=1239,1240,1241,
&end
#
# 17 LEU QD2 84 THR HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 230, 231, 232,
&end
#
# 186 ILE HN 187 ASP- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2896,2920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HA 92 GLN HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1427,1433, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 102 GLY HA3 105 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1585,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 LEU HB2 103 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1598,1599,1600,
&end
#
# 94 PRO HG2 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 105 LYS+ HB3 106 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1627,1644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HA 106 ASP- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HA 106 ASP- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU HA 112 LEU HG 4.68
&rst
ixpk= 0, nxpk= 0, iat=1725,1730, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 118 PRO HA 123 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1923,1931,
&end
#
# 120 SER HB3 123 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1923,1931,
&end
#
# 115 PHE HZ 126 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1972,1973,1974,
&end
#
# 123 PHE HA 126 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1917,1966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HB2 131 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2048,2049,2050,
&end
#
# 131 ALA HA 181 ALA HN 5.44
&rst
ixpk= 0, nxpk= 0, iat=2046,2824, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 136 SER HB2 170 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2127,2668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE QG2 142 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2154,2155,2156,
&end
#
# 138 ILE QD1 163 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2526, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2161,2162,2163,
&end
#
# 140 PRO HD3 140 PRO HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat=2183,2189, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 139 PRO HD2 139 PRO HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat=2168,2175, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 144 GLU- HA 163 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235,2536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HA 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2490,2498,
&end
#
# 145 GLU- HA 145 GLU- HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=2250,2255, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 145 GLU- HA 145 GLU- HG3 4.79
&rst
ixpk= 0, nxpk= 0, iat=2250,2256, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 145 GLU- HG2 149 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2326,2327,2328,
&end
#
# 145 GLU- HG3 149 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2326,2327,2328,
&end
#
# 148 LYS+ HB3 148 LYS+ HE3 4.88
&rst
ixpk= 0, nxpk= 0, iat=2299,2308, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 148 LYS+ HB3 148 LYS+ HE2 4.81
&rst
ixpk= 0, nxpk= 0, iat=2299,2307, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 146 ASP- HA 149 VAL HN 4.76
&rst
ixpk= 0, nxpk= 0, iat=2265,2316, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 149 VAL HA 152 SER HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat=2318,2375, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 149 VAL HB 153 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2320,2382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HND1 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU QD1 151 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2341,2342,2343,
igr2=2359,2367,
&end
#
# 150 LEU QD2 188 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2927, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2345,2346,2347,
&end
#
# 151 PHE HA 173 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2720,2721,2722,
&end
#
# 151 PHE HD 158 VAL QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1=2359,2367,
igr2=2447,2448,2449,
&end
#
# 152 SER HN 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2371, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 158 VAL QG1 161 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2484, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2443,2444,2445,
&end
#
# 151 PHE HN 152 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2351,2375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HA 155 GLY HA2 5.43
&rst
ixpk= 0, nxpk= 0, iat=2395,2409, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 153 SER HA 154 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2384,2397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 VAL HA 160 GLY HN 5.49
&rst
ixpk= 0, nxpk= 0, iat=2439,2475, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 161 PHE HA 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 162 LYS+ HG2 162 LYS+ HE3 4.66
&rst
ixpk= 0, nxpk= 0, iat=2509,2516, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 162 LYS+ HE2 208 ILE HA 5.19
&rst
ixpk= 0, nxpk= 0, iat=2515,3245, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 170 MET HB3 170 MET QE 4.98
&rst
ixpk= 0, nxpk= 0, iat=2666, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2672,2673,2674,
&end
#
# 164 PHE HD 170 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2552,2560,
&end
#
# 164 PHE HB3 170 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2549,2663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 PHE HE 170 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2554,2558,
&end
#
# 164 PHE HD 170 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2552,2560,
&end
#
# 164 PHE HD 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2552,2560,
igr2=2672,2673,2674,
&end
#
# 164 PHE HB3 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2549, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 164 PHE HB2 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2548, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 161 PHE HE 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2492,2496,
igr2=2713,2714,2715,
&end
#
# 145 GLU- HA 148 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2250,2307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 ILE QG2 181 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2826, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2713,2714,2715,
&end
#
# 159 LYS+ HN 174 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG3 208 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=2734,3253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET HA 176 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2745,2763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET QE 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2754,2755,2756,
&end
#
# 175 MET QE 177 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2754,2755,2756,
&end
#
# 181 ALA QB 203 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2828,2829,2830,
igr2=3173,3181,
&end
#
# 133 LEU HA 181 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2828,2829,2830,
&end
#
# 173 ILE QG2 181 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2713,2714,2715,
igr2=2828,2829,2830,
&end
#
# 175 MET QG 181 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2750,2751,
igr2=2828,2829,2830,
&end
#
# 182 VAL HA 185 LEU QD2 5.48
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2890,2891,2892,
&end
#
# 179 GLU- HA 182 VAL HB 4.95
&rst
ixpk= 0, nxpk= 0, iat=2796,2838, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 183 GLN HA 186 ILE HB 4.80
&rst
ixpk= 0, nxpk= 0, iat=2852,2900, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 185 LEU HA 185 LEU HG 5.11
&rst
ixpk= 0, nxpk= 0, iat=2879,2884, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 34 LEU HN 185 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2890,2891,2892,
&end
#
# 185 LEU QD2 186 ILE QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2890,2891,2892,
igr2=2909,2910,2911,
&end
#
# 185 LEU QD2 201 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3142, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 186 ILE HA 186 ILE QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat=2898, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2909,2910,2911,
&end
#
# 183 GLN HNE2 186 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2863, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2902,2903,2904,
&end
#
# 183 GLN HG3 186 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2858, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2902,2903,2904,
&end
#
# 76 LEU HB3 186 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2902,2903,2904,
&end
#
# 76 LEU QD1 186 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1163,1164,1165,
igr2=2902,2903,2904,
&end
#
# 187 ASP- HB3 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2920, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 187 ASP- HB2 188 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2919,2929, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU QD2 191 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2979, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 112 LEU QD2 190 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1736,1737,1738,
&end
#
# 192 ASP- HA 199 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3108,3109,3110,
&end
#
# 193 LEU HN 198 HIS HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=3006,3080, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 195 GLU- HA 196 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3034,3049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PRO HD3 197 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2169,3065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 PRO HD3 197 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2169,3066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HA 199 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3104,3105,3106,
&end
#
# 134 HIS HB3 202 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2092,3158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL QG1 203 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=3144,3145,3146,
igr2=3173,3181,
&end
#
# 130 SER HB3 178 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2788,2789,2790,
&end
#
# 130 SER HB2 178 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2788,2789,2790,
&end
#
# 132 THR QG2 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2060,2061,2062,
&end
#
# 134 HIS HB3 204 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2092,3187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR QG2 204 SER HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,3189, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2060,2061,2062,
&end
#
# 132 THR QG2 204 SER HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,3190, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2060,2061,2062,
&end
#
# 205 LYS+ HA 205 LYS+ QG 4.45
&rst
ixpk= 0, nxpk= 0, iat=3198, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=3203,3204,
&end
#
# 207 THR HB 208 ILE HB 5.33
&rst
ixpk= 0, nxpk= 0, iat=3233,3247, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 207 THR HB 208 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3233,3245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 208 ILE HA 208 ILE HG12 5.13
&rst
ixpk= 0, nxpk= 0, iat=3245,3253, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 168 ARG+ HA 170 MET QE 5.45
&rst
ixpk= 0, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2672,2673,2674,
&end
#
# 9 ALA HN 9 ALA HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 123, 125, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 9 ALA HN 9 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 127, 128, 129,
&end
#
# 9 ALA HA 10 GLY HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 125, 133, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 10 GLY HN 10 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ALA QB 10 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 127, 128, 129,
&end
#
# 11 ALA HN 11 ALA HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 140, 142, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 10 GLY HA2 11 ALA HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 135, 140, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 11 ALA HN 11 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 144, 145, 146,
&end
#
# 12 GLY HN 13 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 150, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ALA HA 12 GLY HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 142, 150, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 12 GLY HN 12 GLY QA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 152, 153,
&end
#
# 11 ALA QB 12 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 144, 145, 146,
&end
#
# 12 GLY QA 13 ASN HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 152, 153,
&end
#
# 13 ASN HN 13 ASN HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 157, 159, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 13 ASN HN 13 ASN HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 157, 162, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 13 ASN HN 13 ASN HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 157, 161, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 13 ASN HND1 13 ASN HND2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 166, 167, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 ASN HA 13 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HA 13 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HB3 14 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 162, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HB2 14 SER HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 161, 171, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 14 SER HN 14 SER HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 171, 176, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 14 SER HN 14 SER HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 171, 175, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 14 SER HN 15 VAL HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 171, 182, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 SER HA 15 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 173, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HB3 15 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 176, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL HN 15 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 15 VAL HN 15 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 15 VAL HN 16 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL HA 16 LEU HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 184, 198, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 15 VAL HB 16 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 186, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL QG1 16 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 16 LEU HN 16 LEU HG 5.36
&rst
ixpk= 0, nxpk= 0, iat= 198, 205, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 16 LEU HN 16 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 213,
&end
#
# 17 LEU HN 18 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HA 17 LEU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 200, 217, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 17 LEU HN 17 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU QD2 17 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 211, 212, 213,
&end
#
# 16 LEU HB3 17 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 203, 217, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 LEU HB2 17 LEU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 202, 217, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 17 LEU HN 17 LEU QD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 230, 231, 232,
&end
#
# 17 LEU HN 17 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 226, 227, 228,
&end
#
# 17 LEU HA 18 VAL HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 219, 236, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 18 VAL HN 18 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HB2 18 VAL HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 221, 236, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 17 LEU QD1 18 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 18 VAL HN 18 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 242, 243, 244,
&end
#
# 18 VAL HN 18 VAL HB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 18 VAL HN 18 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 246, 247, 248,
&end
#
# 18 VAL HN 19 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HA 19 SER HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 238, 252, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 19 SER HN 19 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HB 19 SER HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 18 VAL QG2 19 SER HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 246, 247, 248,
&end
#
# 18 VAL QG1 19 SER HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 242, 243, 244,
&end
#
# 19 SER HN 20 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HN 21 LEU HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 263, 277, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 19 SER HA 20 ASN HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 254, 263, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 19 SER HB3 20 ASN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 257, 263, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 19 SER HB2 20 ASN HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 20 ASN HN 20 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HN 20 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND2 20 ASN HND1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 273, 272, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 ASN HA 20 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HB3 20 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HB2 20 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HB2 20 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 267, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HA 20 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 22 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 21 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 281, 282,
&end
#
# 21 LEU HN 21 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 290, 291, 292,
&end
#
# 21 LEU HA 22 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 279, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HN 22 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 296, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HN 22 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 296, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU QD1 22 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 21 LEU QD2 22 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 22 ASN HND2 22 ASN HND1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 306, 305, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 22 ASN HA 22 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HA 22 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB2 22 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB3 22 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB3 22 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB2 22 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HN 25 ARG+ HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 24 GLU- HN 24 GLU- HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= 324, 326, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 PRO HA 24 GLU- HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 23 PRO HD3 24 GLU- HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 312, 324, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 23 PRO HD2 24 GLU- HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 311, 324, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 24 GLU- HN 24 GLU- HG3 4.49
&rst
ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 24 GLU- HN 24 GLU- HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 324, 331, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 24 GLU- HN 24 GLU- HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 324, 328, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 ARG+ HN 26 VAL HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 339, 363, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 24 GLU- HA 25 ARG+ HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 326, 339, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 25 ARG+ HN 25 ARG+ HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 339, 341, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 24 GLU- HG3 25 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HG2 25 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 331, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HB3 25 ARG+ HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 329, 339, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 24 GLU- HB2 25 ARG+ HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 328, 339, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 25 ARG+ HN 25 ARG+ HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 25 ARG+ HN 25 ARG+ HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 25 ARG+ HN 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 25 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 25 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 25 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HN 26 VAL HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 26 VAL HN 26 VAL HB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 ARG+ HG3 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HG2 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 346, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HB2 26 VAL HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 25 ARG+ HB3 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 344, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HN 26 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 373, 374, 375,
&end
#
# 26 VAL HN 27 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR HN 27 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HB 27 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 367, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL QG1 27 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 369, 370, 371,
&end
#
# 27 THR HN 27 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 385, 386, 387,
&end
#
# 28 PRO HD2 29 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HN 29 GLN HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 29 GLN HN 29 GLN HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 29 GLN HN 29 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HN 29 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PRO HB2 29 GLN HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 GLN HNE1 29 GLN HNE2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 419, 420, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 29 GLN HA 29 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HA 29 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HG3 29 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HG2 29 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HB2 29 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 411, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HB2 29 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HG2 29 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HG3 29 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HN 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER HN 31 LEU HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 424, 435, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 29 GLN HG3 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HG2 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HB3 30 SER HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 GLN HB2 30 SER HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 411, 424, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 30 SER HN 30 SER HB3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 30 SER HN 30 SER HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 30 SER HN 30 SER HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 SER HB2 31 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER HB3 31 LEU HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 429, 435, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 30 SER HA 31 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 426, 435, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 31 LEU HN 31 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 444, 445, 446,
&end
#
# 31 LEU HN 32 PHE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 435, 454, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 32 PHE HN 32 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 462, 470,
&end
#
# 31 LEU HA 32 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 437, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HN 32 PHE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 32 PHE HN 32 PHE HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 454, 458, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 32 PHE HN 32 PHE HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 31 LEU HB3 32 PHE HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 440, 454, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 31 LEU HG 32 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HB2 32 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 439, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU QD2 32 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 448, 449, 450,
&end
#
# 31 LEU QD1 32 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 444, 445, 446,
&end
#
# 32 PHE HD 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 462, 470,
&end
#
# 32 PHE HN 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 454, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HA 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 456, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HN 33 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HB3 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 459, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HB2 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 458, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HN 33 ILE HB 5.09
&rst
ixpk= 0, nxpk= 0, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 33 ILE HN 33 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 487, 488, 489,
&end
#
# 33 ILE HN 34 LEU HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 34 LEU HN 35 PHE HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 493, 512, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 33 ILE HA 34 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 476, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HN 34 LEU HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 493, 495, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 33 ILE HB 34 LEU HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 478, 493, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 34 LEU HN 34 LEU HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 34 LEU HN 34 LEU HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 34 LEU HN 34 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HN 34 LEU QD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 506, 507, 508,
&end
#
# 34 LEU HN 34 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 502, 503, 504,
&end
#
# 35 PHE HN 35 PHE HD 4.95
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 520, 528,
&end
#
# 35 PHE HN 35 PHE HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 512, 514, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 35 PHE HN 35 PHE HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 512, 517, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 35 PHE HN 35 PHE HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 512, 516, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 34 LEU HB3 35 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HB2 35 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HG 35 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 500, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU QD2 35 PHE HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 506, 507, 508,
&end
#
# 34 LEU QD1 35 PHE HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 502, 503, 504,
&end
#
# 35 PHE HN 36 GLY HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 512, 532, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 35 PHE HA 36 GLY HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 514, 532, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 36 GLY HN 36 GLY HA2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 36 GLY HN 36 GLY HA3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 532, 535, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 35 PHE HB2 36 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, 532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HB3 36 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, 532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HD 36 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 520, 528,
&end
#
# 36 GLY HN 37 VAL HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 37 VAL HN 38 TYR HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 539, 555, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 36 GLY HA3 37 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HN 37 VAL HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 37 VAL HN 37 VAL HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 38 TYR HN 38 TYR HD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 563, 572,
&end
#
# 38 TYR HN 38 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 565, 570,
&end
#
# 37 VAL HA 38 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 541, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 TYR HN 38 TYR HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 555, 560, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 38 TYR HN 38 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL QG1 38 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 545, 546, 547,
&end
#
# 37 VAL HB 38 TYR HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 543, 555, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 38 TYR HN 39 GLY HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 555, 576, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 38 TYR HD 39 GLY HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 563, 572,
&end
#
# 39 GLY HN 39 GLY HA2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 576, 578, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 38 TYR HB3 39 GLY HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 560, 576, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 38 TYR HB2 39 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 TYR HA 39 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HN 40 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP- HN 41 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HA2 40 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP- HN 40 ASP- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP- HN 40 ASP- HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 40 ASP- HN 40 ASP- HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 41 VAL HN 41 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HN 41 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HN 41 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 601, 602, 603,
&end
#
# 42 GLN HN 42 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HN 42 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HN 42 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HN 42 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HN 42 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL QG1 42 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 601, 602, 603,
&end
#
# 42 GLN HG2 42 GLN HNE1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 42 GLN HG3 42 GLN HNE1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 619, 623, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 42 GLN HG3 42 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 619, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HG2 42 GLN HNE2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 618, 624, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 42 GLN HNE1 42 GLN HNE2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 623, 624, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 42 GLN HN 43 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HA 43 ARG+ HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 613, 628, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 43 ARG+ HN 43 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HG2 43 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 618, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HB3 43 ARG+ HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 42 GLN HB2 43 ARG+ HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 615, 628, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 43 ARG+ HN 43 ARG+ QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 632, 633,
&end
#
# 43 ARG+ HN 43 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 628, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ HN 43 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ HA 44 VAL HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 630, 652, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 44 VAL HN 44 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ QB 44 VAL HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 632, 633,
&end
#
# 44 VAL HN 44 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 652, 656, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 44 VAL HN 45 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ HN 45 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, 670, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HB 45 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 656, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL QG1 45 LYS+ HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 658, 659, 660,
&end
#
# 44 VAL QG2 45 LYS+ HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 662, 663, 664,
&end
#
# 45 LYS+ HN 45 LYS+ HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 45 LYS+ HN 45 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ HN 46 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 46 ILE HB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 46 ILE HN 46 ILE HG13 5.33
&rst
ixpk= 0, nxpk= 0, iat= 690, 701, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 46 ILE HN 46 ILE HG12 5.35
&rst
ixpk= 0, nxpk= 0, iat= 690, 700, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 46 ILE HN 46 ILE QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 696, 697, 698,
&end
#
# 46 ILE HN 46 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 703, 704, 705,
&end
#
# 47 LEU HN 47 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 709, 711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HN 47 LEU HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 709, 713, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 47 LEU HN 47 LEU HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat= 709, 714, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 46 ILE QD1 47 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 703, 704, 705,
&end
#
# 46 ILE QG2 47 LEU HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 696, 697, 698,
&end
#
# 47 LEU HN 47 LEU QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 718, 719, 720,
&end
#
# 163 PHE HA 164 PHE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=2526,2544, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 47 LEU HB2 48 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 713, 728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HB3 48 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 714, 728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HA 54 ALA HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 54 ALA HN 54 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 835, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HB2 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HN 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HN 53 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HN 53 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HN 53 ASN HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 806, 821, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 52 GLU- HN 52 GLU- HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 806, 810, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 52 GLU- HN 52 GLU- HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 806, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HB2 53 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 810, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- HB3 53 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 811, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS+ HA 52 GLU- HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 786, 806, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 50 LYS+ HA 51 LYS+ HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 764, 784, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 50 LYS+ HN 51 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS+ HN 50 LYS+ QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 769, 770,
&end
#
# 50 LYS+ HN 50 LYS+ QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 766, 767,
&end
#
# 49 ASN HB2 50 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ALA HA 55 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 837, 845, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 55 LEU HN 55 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HN 55 LEU HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 845, 850, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 55 LEU HN 55 LEU HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 55 LEU HN 55 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 854, 855, 856,
&end
#
# 55 LEU HA 56 VAL HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 847, 864, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 56 VAL HN 56 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 864, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HB3 56 VAL HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 55 LEU HB2 56 VAL HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 55 LEU QD1 56 VAL HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 854, 855, 856,
&end
#
# 56 VAL HN 56 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 874, 875, 876,
&end
#
# 45 LYS+ HN 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 VAL HA 57 GLN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 866, 880, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 56 VAL QG1 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 870, 871, 872,
&end
#
# 56 VAL HB 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 868, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HN 57 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HN 57 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HN 57 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HN 57 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HNE1 57 GLN HNE2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 892, 893, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 57 GLN HG3 57 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HG2 57 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HG2 57 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HG3 57 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL QG1 57 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 57 GLN HA 58 MET HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 882, 897, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 15 VAL HN 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HG3 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HG2 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HB2 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HB3 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 MET HN 58 MET QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 904, 905,
&end
#
# 58 MET HN 59 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 897, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 MET HA 59 ALA HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 42 GLN HN 59 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ALA HN 59 ALA HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 58 MET HN 58 MET QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 901, 902,
&end
#
# 58 MET QG 59 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 904, 905,
&end
#
# 58 MET QB 59 ALA HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 901, 902,
&end
#
# 58 MET QE 59 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 908, 909, 910,
&end
#
# 59 ALA HN 59 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 918, 919, 920,
&end
#
# 58 MET HN 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 59 ALA HN 60 ASP- HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 914, 924, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 60 ASP- HN 61 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ALA HA 60 ASP- HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 916, 924, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 60 ASP- HN 60 ASP- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 929, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP- HB2 61 GLY HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 928, 936, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 60 ASP- HB3 61 GLY HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 929, 936, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 61 GLY HN 61 GLY HA2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 61 GLY HN 61 GLY HA3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 936, 939, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 61 GLY HN 62 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN HN 63 GLN HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 943, 957, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 61 GLY HA2 62 ASN HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 938, 943, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 61 GLY HA3 62 ASN HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 939, 943, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 62 ASN HN 62 ASN HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 943, 945, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 62 ASN HN 62 ASN HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 943, 947, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 62 ASN HB3 62 ASN HND2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 948, 953, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 62 ASN HB2 62 ASN HND2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 947, 953, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 62 ASN HND2 62 ASN HND1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 953, 952, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 62 ASN HN 62 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 943, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN HA 63 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 945, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HN 63 GLN HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 63 GLN HN 63 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HN 63 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HN 63 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HN 63 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HG2 63 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 969, 970,
&end
#
# 63 GLN HG3 63 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 969, 970,
&end
#
# 63 GLN HN 63 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 969, 970,
&end
#
# 65 GLN HN 66 LEU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 984,1001, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 64 ALA HA 65 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 976, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HN 65 GLN HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 984, 986, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 ALA QB 65 GLN HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 978, 979, 980,
&end
#
# 65 GLN HN 65 GLN QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 988, 989,
&end
#
# 65 GLN QG 65 GLN HNE1 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 991, 992,
&end
#
# 65 GLN QB 65 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 988, 989,
&end
#
# 65 GLN HNE1 65 GLN HNE2 3.10
&rst
ixpk= 0, nxpk= 0, iat= 996, 997, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 65 GLN QB 65 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 988, 989,
&end
#
# 65 GLN HA 65 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 986, 996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HA 65 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 986, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HA 66 LEU HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 986,1001, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 66 LEU HN 66 LEU HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1001,1003, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 65 GLN QB 66 LEU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 988, 989,
&end
#
# 66 LEU HN 66 LEU HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat=1001,1006, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 66 LEU HN 66 LEU HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1001,1005, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 66 LEU HN 66 LEU QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1010,1011,1012,
&end
#
# 66 LEU HN 66 LEU QD2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1014,1015,1016,
&end
#
# 67 ALA HN 67 ALA HA 4.97
&rst
ixpk= 0, nxpk= 0, iat=1020,1022, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 66 LEU QD1 67 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1010,1011,1012,
&end
#
# 66 LEU QD2 67 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1014,1015,1016,
&end
#
# 66 LEU HB3 67 ALA HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1006,1020, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 66 LEU HB2 67 ALA HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1005,1020, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 ALA HA 68 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA HN 68 MET HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1020,1030, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 68 MET HN 68 MET HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1030,1032, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 67 ALA QB 68 MET HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1024,1025,1026,
&end
#
# 68 MET HN 68 MET HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1030,1034, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 68 MET HN 68 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET HN 68 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET HA 69 SER HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1032,1047, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 69 SER HN 69 SER HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 69 SER HN 69 SER HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 69 SER HN 69 SER HA 4.48
&rst
ixpk= 0, nxpk= 0, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 68 MET HG3 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1038,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET HB3 69 SER HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 68 MET HG2 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1037,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET QE 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 69 SER HN 70 HIS HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1047,1058, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 69 SER HB3 70 HIS HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=1052,1058, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 69 SER HB2 70 HIS HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1051,1058, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 69 SER HA 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HN 70 HIS HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=1058,1060, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 70 HIS HN 70 HIS HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 70 HIS HN 70 HIS HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1058,1062, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 70 HIS HN 70 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HN 71 LEU HN 4.99
&rst
ixpk= 0, nxpk= 0, iat=1058,1075, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 70 HIS HA 71 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1060,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HN 71 LEU HA 5.17
&rst
ixpk= 0, nxpk= 0, iat=1075,1077, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 71 LEU HN 71 LEU HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat=1075,1080, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 71 LEU HN 71 LEU HG 5.21
&rst
ixpk= 0, nxpk= 0, iat=1075,1082, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 71 LEU HN 71 LEU QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1084,1085,1086,
&end
#
# 71 LEU HN 71 LEU QD2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1088,1089,1090,
&end
#
# 71 LEU HN 72 ASN HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1075,1094, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 71 LEU HA 72 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1077,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HN 72 ASN HA 4.84
&rst
ixpk= 0, nxpk= 0, iat=1094,1096, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 ASN HN 72 ASN HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 72 ASN HN 72 ASN HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat=1094,1099, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 71 LEU QD1 72 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1085,1086,
&end
#
# 71 LEU QD2 72 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 71 LEU HB3 72 ASN HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=1080,1094, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 71 LEU HB2 72 ASN HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1079,1094, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 72 ASN HND1 72 ASN HND2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1103,1104, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 72 ASN HB3 72 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1099,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HB2 72 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1098,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HB3 72 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1099,1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HN 73 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HB2 73 GLY HN 5.38
&rst
ixpk= 0, nxpk= 0, iat=1098,1108, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 72 ASN HB3 73 GLY HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1099,1108, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 72 ASN HA 73 GLY HN 4.24
&rst
ixpk= 0, nxpk= 0, iat=1096,1108, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 73 GLY HN 73 GLY HA3 4.44
&rst
ixpk= 0, nxpk= 0, iat=1108,1111, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 73 GLY HN 73 GLY HA2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 73 GLY HN 74 HIS HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 73 GLY HA3 74 HIS HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 74 HIS HN 74 HIS HA 4.31
&rst
ixpk= 0, nxpk= 0, iat=1115,1117, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 74 HIS HN 74 HIS HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat=1115,1120, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 74 HIS HN 75 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HB2 75 LYS+ HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1119,1132, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 74 HIS HB3 75 LYS+ HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=1120,1132, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 74 HIS HA 75 LYS+ HN 3.98
&rst
ixpk= 0, nxpk= 0, iat=1117,1132, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 75 LYS+ HN 75 LYS+ HA 4.31
&rst
ixpk= 0, nxpk= 0, iat=1132,1134, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 75 LYS+ HN 75 LYS+ HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat=1132,1137, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 75 LYS+ HN 75 LYS+ HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1132,1136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 75 LYS+ HB3 76 LEU HN 5.44
&rst
ixpk= 0, nxpk= 0, iat=1137,1154, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 75 LYS+ HB2 76 LEU HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1136,1154, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 76 LEU HN 76 LEU HA 4.28
&rst
ixpk= 0, nxpk= 0, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 75 LYS+ HA 76 LEU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1134,1154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 76 LEU HN 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HN 76 LEU HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat=1154,1159, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 76 LEU HN 76 LEU HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1154,1158, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 76 LEU HN 76 LEU HG 5.31
&rst
ixpk= 0, nxpk= 0, iat=1154,1161, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 76 LEU HN 76 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1167,1168,1169,
&end
#
# 76 LEU HN 76 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1163,1164,1165,
&end
#
# 76 LEU HA 77 HIS HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1156,1173, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 77 HIS HN 77 HIS HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=1173,1175, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 76 LEU HB3 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HB2 77 HIS HN 5.24
&rst
ixpk= 0, nxpk= 0, iat=1158,1173, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 76 LEU QD2 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1167,1168,1169,
&end
#
# 77 HIS HN 77 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 HIS HN 77 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 HIS HN 77 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 HIS HN 78 GLY HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1173,1190, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 78 GLY HN 78 GLY HA3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1190,1193, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 78 GLY HN 78 GLY HA2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1190,1192, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 77 HIS HA 78 GLY HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=1175,1190, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 77 HIS HB2 78 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1177,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLY HN 79 LYS+ HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1190,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 78 GLY HA3 79 LYS+ HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=1193,1197, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 78 GLY HA2 79 LYS+ HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1192,1197, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 79 LYS+ HN 79 LYS+ HA 5.14
&rst
ixpk= 0, nxpk= 0, iat=1197,1199, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 79 LYS+ HN 79 LYS+ HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1197,1201, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 79 LYS+ HN 79 LYS+ HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1197,1202, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 79 LYS+ HN 79 LYS+ HG3 5.03
&rst
ixpk= 0, nxpk= 0, iat=1197,1205, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 79 LYS+ HN 79 LYS+ HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1197,1204, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 79 LYS+ HN 79 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS+ HN 79 LYS+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1207,1208,
&end
#
# 80 PRO HA 81 ILE HN 4.14
&rst
ixpk= 0, nxpk= 0, iat=1229,1233, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 80 PRO HD2 81 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1220,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 ILE HN 81 ILE HB 4.76
&rst
ixpk= 0, nxpk= 0, iat=1233,1237, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 80 PRO HB2 81 ILE HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=1226,1233, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 80 PRO HB3 81 ILE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat=1227,1233, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 81 ILE HN 81 ILE QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1239,1240,1241,
&end
#
# 81 ILE HN 81 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1246,1247,1248,
&end
#
# 81 ILE HA 82 ARG+ HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1235,1252, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 82 ARG+ HN 82 ARG+ HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=1252,1254, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 81 ILE HB 82 ARG+ HN 4.75
&rst
ixpk= 0, nxpk= 0, iat=1237,1252, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 82 ARG+ HN 82 ARG+ HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1252,1256, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 82 ARG+ HN 82 ARG+ HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat=1252,1257, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 81 ILE QD1 82 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1246,1247,1248,
&end
#
# 82 ARG+ HN 82 ARG+ HG2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1252,1259, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 83 ILE HN 83 ILE HA 4.63
&rst
ixpk= 0, nxpk= 0, iat=1276,1278, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 82 ARG+ QD 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1262,1263,
&end
#
# 83 ILE HN 83 ILE HB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1276,1280, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 82 ARG+ HB2 83 ILE HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1256,1276, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 83 ILE HN 83 ILE HG12 5.14
&rst
ixpk= 0, nxpk= 0, iat=1276,1286, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 83 ILE HN 83 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1282,1283,1284,
&end
#
# 83 ILE HN 83 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1289,1290,1291,
&end
#
# 83 ILE HA 84 THR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=1278,1295, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 83 ILE HN 84 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HA 84 THR HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 238,1295, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 84 THR HN 84 THR HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=1295,1297, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 83 ILE HB 84 THR HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 84 THR HN 85 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1295,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 THR HA 85 LEU HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=1297,1309, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 84 THR HB 85 LEU HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1299,1309, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 85 LEU HN 85 LEU HA 5.19
&rst
ixpk= 0, nxpk= 0, iat=1309,1311, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 85 LEU HN 85 LEU QB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1313,1314,
&end
#
# 85 LEU HN 85 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1318,1319,1320,
&end
#
# 85 LEU HN 85 LEU QD2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1322,1323,1324,
&end
#
# 85 LEU HA 86 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=1311,1328, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 86 SER HN 86 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 SER HN 86 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HG 86 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1316,1328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS+ HN 87 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1339,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 SER HB3 87 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1333,1339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 SER HB2 87 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1332,1339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS+ HN 87 LYS+ HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1339,1343, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 87 LYS+ HN 87 LYS+ HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 87 LYS+ HA 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1341,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 HIS HN 88 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1361,1365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 HIS HN 88 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1361,1366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 HIS HB3 89 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1366,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 HIS HB2 89 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1365,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HN 89 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1385,1386,
&end
#
# 89 GLN HN 89 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HN 89 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HN 90 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN QG 90 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1385,1386,
&end
#
# 89 GLN HB3 90 ASN HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=1383,1395, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 89 GLN HB2 90 ASN HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1382,1395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 90 ASN HN 90 ASN QB 4.53
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1399,1400,
&end
#
# 91 VAL HN 91 VAL HA 5.28
&rst
ixpk= 0, nxpk= 0, iat=1409,1411, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 91 VAL HN 91 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1415,1416,1417,
&end
#
# 91 VAL HA 92 GLN HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=1411,1425, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 91 VAL QG1 92 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1415,1416,1417,
&end
#
# 93 LEU HN 93 LEU HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1442,1444, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 92 GLN HG2 93 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1432,1442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HB2 93 LEU HN 4.39
&rst
ixpk= 0, nxpk= 0, iat=1429,1442, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 93 LEU HN 93 LEU HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1442,1446, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 93 LEU HN 93 LEU HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat=1442,1447, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 93 LEU HN 93 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1455,1456,1457,
&end
#
# 93 LEU HN 94 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1442,1462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HN 94 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1442,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLY HN 97 GLY HA3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1514,1517, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 97 GLY HN 97 GLY HA2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1514,1516, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 96 GLU- HA 97 GLY HN 4.16
&rst
ixpk= 0, nxpk= 0, iat=1501,1514, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 96 GLU- QB 97 GLY HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1503,1504,
&end
#
# 96 GLU- QG 97 GLY HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1506,1507,
&end
#
# 96 GLU- HN 97 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1499,1514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLU- HN 96 GLU- HA 4.29
&rst
ixpk= 0, nxpk= 0, iat=1499,1501, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 95 ARG+ HA 96 GLU- HN 3.56
&rst
ixpk= 0, nxpk= 0, iat=1477,1499, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 96 GLU- HN 96 GLU- QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1503,1504,
&end
#
# 96 GLU- HN 96 GLU- QG 4.58
&rst
ixpk= 0, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1506,1507,
&end
#
# 95 ARG+ HB3 96 GLU- HN 4.63
&rst
ixpk= 0, nxpk= 0, iat=1480,1499, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 95 ARG+ HB2 96 GLU- HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1479,1499, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 95 ARG+ QD 96 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1485,1486,
&end
#
# 95 ARG+ HN 96 GLU- HN 5.43
&rst
ixpk= 0, nxpk= 0, iat=1475,1499, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 95 ARG+ HN 95 ARG+ HA 4.54
&rst
ixpk= 0, nxpk= 0, iat=1475,1477, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 94 PRO HA 95 ARG+ HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=1471,1475, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 95 ARG+ HN 95 ARG+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1485,1486,
&end
#
# 94 PRO HD2 95 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1462,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLY HN 98 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1514,1521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLY HA2 98 GLN HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=1516,1521, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 98 GLN HN 98 GLN HA 4.53
&rst
ixpk= 0, nxpk= 0, iat=1521,1523, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 98 GLN HN 98 GLN QG 4.65
&rst
ixpk= 0, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1528,1529,
&end
#
# 98 GLN HN 98 GLN HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1521,1525, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 98 GLN HN 98 GLN HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat=1521,1526, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 98 GLN HA 99 GLU- HN 4.08
&rst
ixpk= 0, nxpk= 0, iat=1523,1538, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 99 GLU- HN 99 GLU- HA 4.64
&rst
ixpk= 0, nxpk= 0, iat=1538,1540, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 99 GLU- HN 99 GLU- QG 4.89
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1545,1546,
&end
#
# 98 GLN QG 99 GLU- HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1528,1529,
&end
#
# 99 GLU- HN 99 GLU- HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat=1538,1543, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 99 GLU- HN 99 GLU- HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1538,1542, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 99 GLU- HA 100 ASP- HN 3.77
&rst
ixpk= 0, nxpk= 0, iat=1540,1553, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 99 GLU- HN 100 ASP- HN 5.46
&rst
ixpk= 0, nxpk= 0, iat=1538,1553, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 100 ASP- HN 100 ASP- HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1553,1557, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 100 ASP- HN 100 ASP- HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=1553,1558, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 99 GLU- HB3 100 ASP- HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1543,1553, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 100 ASP- HB3 101 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1558,1565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP- HB2 101 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1557,1565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN HN 101 GLN QG 5.08
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1572,1573,
&end
#
# 101 GLN QG 102 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1572,1573,
&end
#
# 101 GLN QB 102 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1569,1570,
&end
#
# 102 GLY HN 102 GLY HA2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1582,1584, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 102 GLY HN 102 GLY HA3 4.83
&rst
ixpk= 0, nxpk= 0, iat=1582,1585, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 102 GLY HN 103 LEU HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=1582,1589, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 102 GLY HA2 103 LEU HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1584,1589, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 102 GLY HA3 103 LEU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=1585,1589, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 103 LEU HN 103 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1598,1599,1600,
&end
#
# 103 LEU HN 103 LEU QD2 5.22
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1602,1603,1604,
&end
#
# 103 LEU HN 103 LEU HG 4.87
&rst
ixpk= 0, nxpk= 0, iat=1589,1596, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 103 LEU HN 103 LEU HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1589,1593, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 103 LEU HN 103 LEU HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 104 THR HN 104 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1608,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HN 104 THR HB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1608,1612, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 103 LEU HA 104 THR HN 5.42
&rst
ixpk= 0, nxpk= 0, iat=1591,1608, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 104 THR HN 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 103 LEU QD2 104 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1602,1603,1604,
&end
#
# 103 LEU HB3 104 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1594,1608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 LEU HB2 104 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1593,1608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 LEU HG 104 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1596,1608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HN 105 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1608,1622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 105 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652,1622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ HA 105 LYS+ HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 670,1622, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 105 LYS+ HN 105 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 THR HB 105 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HN 105 LYS+ HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1622,1626, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 105 LYS+ HN 105 LYS+ HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat=1622,1627, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 105 LYS+ HN 106 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP- HN 106 ASP- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1644,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP- HN 106 ASP- HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat=1644,1649, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 106 ASP- HN 106 ASP- HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1644,1648, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 105 LYS+ HB2 106 ASP- HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=1626,1644, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 106 ASP- HB3 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1649,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP- HB2 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1648,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HN 107 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656,1661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP- HN 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1644,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HN 107 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 106 ASP- HA 107 TYR HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=1646,1656, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 43 ARG+ HA 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HN 107 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HN 107 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1656,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HD 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1673,
&end
#
# 107 TYR HA 108 GLY HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=1658,1677, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 108 GLY HN 108 GLY QA 4.08
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1679,1680,
&end
#
# 107 TYR HB3 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1661,1677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HB2 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1660,1677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP- HB3 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1649,1677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP- HB2 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1648,1677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP- HA 108 GLY HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=1646,1677, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 109 ASN HN 109 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1684,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLY QA 109 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1679,1680,
&end
#
# 109 ASN HN 109 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1684,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HA 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1686,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HN 110 SER HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1698,1702, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 110 SER HN 110 SER HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat=1698,1703, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 109 ASN HB3 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1689,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HN 111 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1698,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HN 111 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1698,1710, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HN 112 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1698,1723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU HN 113 HIS HN 4.96
&rst
ixpk= 0, nxpk= 0, iat=1723,1742, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 111 PRO HD2 112 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1710,1723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU HN 112 LEU HA 4.98
&rst
ixpk= 0, nxpk= 0, iat=1723,1725, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 112 LEU HN 112 LEU QB 4.67
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1727,1728,
&end
#
# 112 LEU HN 112 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1732,1733,1734,
&end
#
# 113 HIS HN 114 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1742,1759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU HA 113 HIS HN 5.22
&rst
ixpk= 0, nxpk= 0, iat=1725,1742, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 113 HIS HN 113 HIS HA 4.66
&rst
ixpk= 0, nxpk= 0, iat=1742,1744, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 113 HIS HN 113 HIS HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat=1742,1747, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 113 HIS HN 113 HIS HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1742,1746, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 112 LEU QB 113 HIS HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1727,1728,
&end
#
# 112 LEU QD1 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD2 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1736,1737,1738,
&end
#
# 112 LEU HG 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 HIS HN 113 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1742,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 HIS HB3 114 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1747,1759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 PHE HN 115 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783,1785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 PHE HN 115 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783,1787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 PHE HN 115 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ARG+ HB2 115 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1763,1783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 PHE HN 115 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1793,1797,
&end
#
# 119 GLY HN 119 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1861,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 GLY HA3 120 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1864,1868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 GLY HA2 120 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1863,1868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 SER HN 120 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1868,1873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 SER HN 120 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1868,1870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HN 123 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1901,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 PHE HN 124 GLN HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=1915,1935, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 123 PHE HN 123 PHE HD 5.19
&rst
ixpk= 0, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1923,1931,
&end
#
# 124 GLN HN 125 ASN HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1935,1952, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 122 ASN HN 122 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1901,1905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HN 122 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1901,1906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HN 122 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1901,1903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 PHE HN 123 PHE HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1915,1919, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 123 PHE HN 123 PHE HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat=1915,1920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 123 PHE HN 123 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1915,1917, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 ASN HA 123 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1903,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HN 124 GLN HA 4.71
&rst
ixpk= 0, nxpk= 0, iat=1935,1937, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 124 GLN HN 124 GLN HG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1935,1942, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 124 GLN HN 124 GLN HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 124 GLN HN 124 GLN HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat=1935,1940, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 124 GLN HN 124 GLN HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1935,1939, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 123 PHE HB2 124 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 PHE HB3 124 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1920,1935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HG2 125 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1942,1952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HB3 125 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1940,1952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HB2 125 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1939,1952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HN 125 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HN 126 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HA 126 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1954,1966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HB2 126 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1956,1966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HB3 126 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1957,1966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HN 126 ILE HB 4.51
&rst
ixpk= 0, nxpk= 0, iat=1966,1970, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 126 ILE HN 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1979,1980,1981,
&end
#
# 126 ILE HN 126 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1966,1976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HN 127 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1966,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HN 127 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1993,2001,
&end
#
# 127 PHE HN 127 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HN 127 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985,1990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE HN 127 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE QD1 127 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1979,1980,1981,
&end
#
# 126 ILE HB 127 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1970,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HN 203 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033,3167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 PRO HA 130 SER HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=2029,2033, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 129 PRO HD2 130 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2020,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 PRO HD3 130 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2021,2033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 PRO HB3 130 SER HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=2027,2033, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 130 SER HN 203 PHE HD 5.14
&rst
ixpk= 0, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=3173,3181,
&end
#
# 130 SER HN 203 PHE HE 5.38
&rst
ixpk= 0, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=3175,3179,
&end
#
# 130 SER HN 203 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033,3169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HN 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HN 131 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033,2044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HA 131 ALA HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=2035,2044, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 130 SER HB3 131 ALA HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=2038,2044, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 130 SER HB2 131 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=2037,2044, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 131 ALA HN 132 THR HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=2044,2054, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 131 ALA HA 132 THR HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=2046,2054, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 132 THR HN 132 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HN 132 THR HB 4.83
&rst
ixpk= 0, nxpk= 0, iat=2054,2058, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 132 THR HN 132 THR QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2060,2061,2062,
&end
#
# 131 ALA QB 132 THR HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2048,2049,2050,
&end
#
# 132 THR HN 133 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HA 133 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=2056,2068, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 133 LEU HN 133 LEU HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=2068,2070, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 132 THR HB 133 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2058,2068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HN 133 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HN 133 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2077,2078,2079,
&end
#
# 133 LEU HN 133 LEU HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat=2068,2073, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 133 LEU HN 134 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HA 134 HIS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=2070,2087, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 134 HIS HN 134 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087,2089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HN 134 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HN 134 HIS HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat=2087,2092, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 133 LEU HB3 134 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HB2 134 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2072,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU QD1 134 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2077,2078,2079,
&end
#
# 133 LEU QD2 134 HIS HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2081,2082,2083,
&end
#
# 134 HIS HN 134 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087,2100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HA 135 LEU HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=2089,2104, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 134 HIS HD2 135 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2100,2104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HB2 135 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2091,2104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HB3 135 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2092,2104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HN 135 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2104,2109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HN 135 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2104,2108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HN 135 LEU HG 5.45
&rst
ixpk= 0, nxpk= 0, iat=2104,2111, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 135 LEU HN 135 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2113,2114,2115,
&end
#
# 136 SER HN 136 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,2127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HN 136 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,2128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HB3 136 SER HN 5.46
&rst
ixpk= 0, nxpk= 0, iat=2109,2123, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 135 LEU HB2 136 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2108,2123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HG 136 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2111,2123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU QD1 136 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2113,2114,2115,
&end
#
# 136 SER HA 137 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HB2 137 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2127,2134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HN 137 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2134,2138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HN 137 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2134,2139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 PRO HD3 141 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2183,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 PRO HB2 141 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2188,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 SER HA 142 VAL HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=2197,2206, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 141 SER HB3 142 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2200,2206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 SER HB2 142 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2199,2206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 VAL HN 142 VAL HA 4.65
&rst
ixpk= 0, nxpk= 0, iat=2206,2208, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 142 VAL HN 142 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2212,2213,2214,
&end
#
# 142 VAL HN 142 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2216,2217,2218,
&end
#
# 142 VAL HN 143 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2206,2222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 VAL HA 143 SER HN 4.09
&rst
ixpk= 0, nxpk= 0, iat=2208,2222, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 143 SER HN 143 SER HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=2222,2224, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 143 SER HN 143 SER HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat=2222,2226, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 143 SER HN 143 SER HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat=2222,2227, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 142 VAL HB 143 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2210,2222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 VAL QG2 143 SER HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2216,2217,2218,
&end
#
# 142 VAL QG1 143 SER HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2212,2213,2214,
&end
#
# 143 SER HB2 144 GLU- HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2226,2233, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 143 SER HB3 144 GLU- HN 5.01
&rst
ixpk= 0, nxpk= 0, iat=2227,2233, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 144 GLU- HN 144 GLU- HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=2233,2235, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 143 SER HN 144 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2222,2233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HN 144 GLU- HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat=2233,2237, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 144 GLU- HN 144 GLU- HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat=2233,2238, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 144 GLU- HN 144 GLU- HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2233,2240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HN 144 GLU- HG3 5.07
&rst
ixpk= 0, nxpk= 0, iat=2233,2241, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 144 GLU- HN 145 GLU- HN 5.29
&rst
ixpk= 0, nxpk= 0, iat=2233,2248, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 144 GLU- HA 145 GLU- HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=2235,2248, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 143 SER HB3 145 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2227,2248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 SER HB2 145 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2226,2248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 SER HA 145 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2224,2248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HG2 145 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2240,2248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HG3 145 GLU- HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=2241,2248, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 145 GLU- HN 145 GLU- HG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=2248,2255, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 145 GLU- HN 145 GLU- HG3 5.44
&rst
ixpk= 0, nxpk= 0, iat=2248,2256, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 145 GLU- HN 145 GLU- HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat=2248,2252, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 147 LEU HN 148 LYS+ HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=2275,2294, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 145 GLU- HN 146 ASP- HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=2248,2263, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 145 GLU- HA 146 ASP- HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2250,2263, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 146 ASP- HN 146 ASP- HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat=2263,2268, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 146 ASP- HN 146 ASP- HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2263,2267, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 145 GLU- HB2 146 ASP- HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=2252,2263, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 145 GLU- HB3 146 ASP- HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=2253,2263, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 147 LEU HN 147 LEU HA 5.04
&rst
ixpk= 0, nxpk= 0, iat=2275,2277, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 146 ASP- HB3 147 LEU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=2268,2275, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 146 ASP- HB2 147 LEU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=2267,2275, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 147 LEU HN 147 LEU HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat=2275,2279, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 147 LEU HN 147 LEU QD2 4.92
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2288,2289,2290,
&end
#
# 148 LYS+ HN 148 LYS+ HA 4.41
&rst
ixpk= 0, nxpk= 0, iat=2294,2296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 148 LYS+ HN 148 LYS+ HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat=2294,2299, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 149 VAL HN 150 LEU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=2316,2332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 150 LEU HN 151 PHE HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=2332,2351, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 149 VAL HB 150 LEU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=2320,2332, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 150 LEU HN 150 LEU HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat=2332,2337, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 149 VAL QG1 150 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2322,2323,2324,
&end
#
# 149 VAL QG2 150 LEU HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2326,2327,2328,
&end
#
# 150 LEU HN 150 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2332,2339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU HN 150 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2345,2346,2347,
&end
#
# 151 PHE HN 151 PHE HD 4.74
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2359,2367,
&end
#
# 151 PHE HN 151 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2361,2365,
&end
#
# 150 LEU HA 151 PHE HN 5.43
&rst
ixpk= 0, nxpk= 0, iat=2334,2351, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 151 PHE HN 151 PHE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=2351,2353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 151 PHE HN 151 PHE HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat=2351,2355, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 151 PHE HN 151 PHE HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat=2351,2356, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 150 LEU HB3 151 PHE HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=2337,2351, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 150 LEU HB2 151 PHE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=2336,2351, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 150 LEU HG 151 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2339,2351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU QD2 151 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2345,2346,2347,
&end
#
# 150 LEU QD1 151 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2341,2342,2343,
&end
#
# 151 PHE HN 152 SER HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2351,2371, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 151 PHE HA 152 SER HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=2353,2371, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 152 SER HN 152 SER HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=2371,2375, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 152 SER HN 152 SER HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat=2371,2376, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 152 SER HN 152 SER HA 4.77
&rst
ixpk= 0, nxpk= 0, iat=2371,2373, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 151 PHE HB3 152 SER HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=2356,2371, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 151 PHE HB2 152 SER HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=2355,2371, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 153 SER HN 154 ASN HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=2382,2393, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 152 SER HA 153 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2373,2382, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 153 SER HN 153 SER QB 3.91
&rst
ixpk= 0, nxpk= 0, iat=2382, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=2386,2387,
&end
#
# 152 SER HB3 153 SER HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=2376,2382, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 153 SER HN 153 SER HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=2382,2384, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 154 ASN HN 154 ASN HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=2393,2395, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 154 ASN HN 155 GLY HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2393,2407, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 153 SER QB 154 ASN HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2386,2387,
&end
#
# 154 ASN HN 154 ASN HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2393,2397, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 154 ASN HN 154 ASN HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat=2393,2398, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 154 ASN HB3 155 GLY HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=2398,2407, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 154 ASN HB2 155 GLY HN 5.42
&rst
ixpk= 0, nxpk= 0, iat=2397,2407, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 154 ASN HA 155 GLY HN 4.39
&rst
ixpk= 0, nxpk= 0, iat=2395,2407, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 155 GLY HN 155 GLY HA2 4.18
&rst
ixpk= 0, nxpk= 0, iat=2407,2409, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 155 GLY HN 156 GLY HN 4.29
&rst
ixpk= 0, nxpk= 0, iat=2407,2414, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 156 GLY HN 157 VAL HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=2414,2421, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 155 GLY HA2 156 GLY HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2409,2414, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 155 GLY HA3 156 GLY HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2410,2414, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 156 GLY HN 156 GLY HA3 4.41
&rst
ixpk= 0, nxpk= 0, iat=2414,2417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 156 GLY HN 156 GLY HA2 4.28
&rst
ixpk= 0, nxpk= 0, iat=2414,2416, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 156 GLY HA2 157 VAL HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=2416,2421, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 157 VAL HN 157 VAL HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=2421,2423, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 157 VAL HN 157 VAL HB 4.07
&rst
ixpk= 0, nxpk= 0, iat=2421,2425, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 157 VAL HN 157 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2427,2428,2429,
&end
#
# 157 VAL HN 158 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2421,2437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 157 VAL HA 158 VAL HN 3.89
&rst
ixpk= 0, nxpk= 0, iat=2423,2437, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 158 VAL HN 158 VAL HA 5.16
&rst
ixpk= 0, nxpk= 0, iat=2437,2439, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 158 VAL HN 158 VAL HB 4.35
&rst
ixpk= 0, nxpk= 0, iat=2437,2441, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 157 VAL HB 158 VAL HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=2425,2437, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 158 VAL HN 158 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2447,2448,2449,
&end
#
# 158 VAL HN 159 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2437,2453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HN 175 MET HA 5.38
&rst
ixpk= 0, nxpk= 0, iat=2453,2745, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 159 LYS+ HN 159 LYS+ HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat=2453,2458, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 159 LYS+ HN 159 LYS+ HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=2453,2457, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 159 LYS+ HN 159 LYS+ HG2 5.39
&rst
ixpk= 0, nxpk= 0, iat=2453,2460, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 159 LYS+ HN 159 LYS+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 VAL QG2 159 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2453, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2447,2448,2449,
&end
#
# 158 VAL HB 159 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2441,2453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HN 160 GLY HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=2453,2475, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 160 GLY HN 160 GLY HA3 4.78
&rst
ixpk= 0, nxpk= 0, iat=2475,2478, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 160 GLY HN 160 GLY HA2 4.98
&rst
ixpk= 0, nxpk= 0, iat=2475,2477, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 159 LYS+ HG2 160 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2460,2475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLY HN 161 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 PHE HN 161 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2490,2498,
&end
#
# 160 GLY HA3 161 PHE HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=2478,2482, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 160 GLY HA2 161 PHE HN 4.38
&rst
ixpk= 0, nxpk= 0, iat=2477,2482, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 161 PHE HN 161 PHE HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=2482,2484, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 161 PHE HN 161 PHE HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2482,2486, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 161 PHE HN 161 PHE HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat=2482,2487, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 161 PHE HN 162 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2482,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 PHE HD 162 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2490,2498,
&end
#
# 161 PHE HE 162 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2492,2496,
&end
#
# 161 PHE HA 162 LYS+ HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=2484,2502, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 162 LYS+ HN 162 LYS+ HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=2502,2504, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 161 PHE HB3 162 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2487,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HN 162 LYS+ QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2506,2507,
&end
#
# 162 LYS+ HN 162 LYS+ HG2 5.33
&rst
ixpk= 0, nxpk= 0, iat=2502,2509, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 162 LYS+ HN 162 LYS+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502,2512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HN 162 LYS+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502,2513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HN 163 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502,2524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 163 PHE HN 163 PHE HD 5.28
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2532,2540,
&end
#
# 163 PHE HN 163 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2534,2538,
&end
#
# 163 PHE HN 163 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2524,2526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 163 PHE HN 163 PHE HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat=2524,2529, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 163 PHE HN 163 PHE HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat=2524,2528, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 162 LYS+ QB 163 PHE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2506,2507,
&end
#
# 163 PHE HD 164 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2532,2540,
&end
#
# 164 PHE HN 164 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2552,2560,
&end
#
# 164 PHE HN 164 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2544,2549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 PHE HN 164 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2544,2548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 168 ARG+ HN 169 LYS+ HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=2615,2639, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 169 LYS+ HN 170 MET HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=2639,2661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 169 LYS+ HN 169 LYS+ HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=2639,2641, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 169 LYS+ HN 169 LYS+ QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2643,2644,
&end
#
# 168 ARG+ QB 169 LYS+ HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2619,2620,
&end
#
# 168 ARG+ HN 168 ARG+ QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2615, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2619,2620,
&end
#
# 170 MET HN 170 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661,2663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 169 LYS+ HA 170 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2641,2661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 169 LYS+ QB 170 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2643,2644,
&end
#
# 170 MET HN 170 MET HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat=2661,2666, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 170 MET HN 170 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661,2665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HN 170 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2672,2673,2674,
&end
#
# 170 MET HA 171 ALA HN 5.06
&rst
ixpk= 0, nxpk= 0, iat=2663,2678, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 171 ALA HN 171 ALA HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=2678,2680, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 170 MET HB3 171 ALA HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=2666,2678, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 170 MET HB2 171 ALA HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=2665,2678, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 162 LYS+ HN 172 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502,2688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU HN 173 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2688,2707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 171 ALA HN 172 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2678,2688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 171 ALA HA 172 LEU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=2680,2688, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 172 LEU HN 172 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2688,2690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU HN 172 LEU HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat=2688,2693, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 172 LEU HN 172 LEU HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat=2688,2692, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 171 ALA QB 172 LEU HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2688, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=2682,2683,2684,
&end
#
# 172 LEU HN 172 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2688, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2697,2698,2699,
&end
#
# 133 LEU HN 173 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU HA 173 ILE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=2690,2707, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 172 LEU QD1 173 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2697,2698,2699,
&end
#
# 173 ILE HN 173 ILE QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2713,2714,2715,
&end
#
# 172 LEU HB3 173 ILE HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=2693,2707, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 172 LEU HB2 173 ILE HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=2692,2707, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 173 ILE HN 173 ILE HB 5.47
&rst
ixpk= 0, nxpk= 0, iat=2707,2711, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 173 ILE HN 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2707,2726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLY HN 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HN 174 GLN HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=2726,2728, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 173 ILE HA 174 GLN HN 5.35
&rst
ixpk= 0, nxpk= 0, iat=2709,2726, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 173 ILE HN 173 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2707,2709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 ILE HB 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2711,2726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 ILE QG2 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2713,2714,2715,
&end
#
# 174 GLN HN 174 GLN HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat=2726,2730, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 174 GLN HN 174 GLN HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat=2726,2731, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 174 GLN HN 174 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2726,2733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HN 174 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2726,2734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG2 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2733,2743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG3 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2734,2743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HB3 175 MET HN 5.43
&rst
ixpk= 0, nxpk= 0, iat=2731,2743, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 174 GLN HB2 175 MET HN 5.43
&rst
ixpk= 0, nxpk= 0, iat=2730,2743, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 174 GLN HA 175 MET HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=2728,2743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 175 MET HN 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2743,2745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HA 175 MET HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=2056,2743, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 175 MET HN 175 MET HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat=2743,2747, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 175 MET HN 175 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2743,2748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET HN 175 MET QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2743, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2750,2751,
&end
#
# 175 MET HN 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2743, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 157 VAL HN 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2421,2760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET HA 176 GLY HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=2745,2760, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 176 GLY HN 176 GLY HA2 4.74
&rst
ixpk= 0, nxpk= 0, iat=2760,2762, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 176 GLY HN 176 GLY HA3 4.65
&rst
ixpk= 0, nxpk= 0, iat=2760,2763, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 175 MET HB2 176 GLY HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2747,2760, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 175 MET HB3 176 GLY HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=2748,2760, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 175 MET QG 176 GLY HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=2750,2751,
&end
#
# 175 MET QE 176 GLY HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2754,2755,2756,
&end
#
# 176 GLY HN 177 SER HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2760,2767, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 175 MET HN 177 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2743,2767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 177 SER HN 180 GLU- HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=2767,2809, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 175 MET HA 177 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2745,2767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 176 GLY HA2 177 SER HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=2762,2767, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 176 GLY HA3 177 SER HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=2763,2767, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 177 SER HN 177 SER HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat=2767,2772, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 177 SER HN 177 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2767,2771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL HN 180 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2778,2809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL HN 178 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2778,2780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 177 SER HB2 178 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2771,2778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 177 SER HB3 178 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2772,2778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL HN 178 VAL HB 5.18
&rst
ixpk= 0, nxpk= 0, iat=2778,2782, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 178 VAL HN 178 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2778, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2784,2785,2786,
&end
#
# 179 GLU- HN 180 GLU- HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2794,2809, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 178 VAL HN 179 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2778,2794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL HA 179 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2780,2794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 179 GLU- HN 179 GLU- HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=2794,2796, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 178 VAL QG2 179 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2788,2789,2790,
&end
#
# 178 VAL QG1 179 GLU- HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2784,2785,2786,
&end
#
# 179 GLU- HN 179 GLU- HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat=2794,2801, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 179 GLU- HA 180 GLU- HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=2796,2809, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 179 GLU- HB2 180 GLU- HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=2798,2809, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 179 GLU- HB3 180 GLU- HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=2799,2809, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 180 GLU- HN 180 GLU- QG 4.74
&rst
ixpk= 0, nxpk= 0, iat=2809, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2816,2817,
&end
#
# 179 GLU- HG3 180 GLU- HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2802,2809, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 179 GLU- HG2 180 GLU- HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=2801,2809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 181 ALA HN 182 VAL HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=2824,2834, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 180 GLU- QG 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2816,2817,
&end
#
# 181 ALA HA 182 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2826,2834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 182 VAL HN 182 VAL HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=2834,2836, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 179 GLU- HA 182 VAL HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=2796,2834, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 182 VAL HN 182 VAL HB 4.43
&rst
ixpk= 0, nxpk= 0, iat=2834,2838, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 182 VAL HN 182 VAL QG1 4.84
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2840,2841,2842,
&end
#
# 182 VAL HN 183 GLN HN 5.01
&rst
ixpk= 0, nxpk= 0, iat=2834,2850, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 183 GLN HN 184 ALA HN 4.96
&rst
ixpk= 0, nxpk= 0, iat=2850,2867, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 182 VAL HA 183 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2836,2850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HN 183 GLN HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=2850,2852, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 180 GLU- HA 183 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2811,2850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 182 VAL HB 183 GLN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=2838,2850, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 183 GLN HN 183 GLN QB 4.13
&rst
ixpk= 0, nxpk= 0, iat=2850, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2854,2855,
&end
#
# 183 GLN HN 183 GLN HG3 4.83
&rst
ixpk= 0, nxpk= 0, iat=2850,2858, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 183 GLN HN 183 GLN HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=2850,2857, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 182 VAL QG1 183 GLN HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2850, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2840,2841,2842,
&end
#
# 184 ALA HN 185 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=2867,2877, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 181 ALA HA 184 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat=2826,2867, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 184 ALA HN 184 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat=2867, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2871,2872,2873,
&end
#
# 183 GLN QB 184 ALA HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2867, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=2854,2855,
&end
#
# 183 GLN HG3 184 ALA HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=2858,2867, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 185 LEU HN 185 LEU HA 4.61
&rst
ixpk= 0, nxpk= 0, iat=2877,2879, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 131 ALA HN 131 ALA QB 4.36
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2048,2049,2050,
&end
#
# 184 ALA QB 185 LEU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2877, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2871,2872,2873,
&end
#
# 185 LEU HN 185 LEU HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat=2877,2881, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 185 LEU HN 185 LEU HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat=2877,2882, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 185 LEU HN 185 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2886,2887,2888,
&end
#
# 185 LEU HN 186 ILE HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2877,2896, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 185 LEU HA 186 ILE HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2879,2896, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 186 ILE HN 186 ILE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=2896,2898, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 185 LEU QD2 186 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD1 186 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 185 LEU HB3 186 ILE HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=2882,2896, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 185 LEU HB2 186 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2881,2896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 186 ILE HN 186 ILE HB 4.72
&rst
ixpk= 0, nxpk= 0, iat=2896,2900, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 186 ILE HN 186 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat=2896, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2909,2910,2911,
&end
#
# 186 ILE HN 186 ILE QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=2896, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2902,2903,2904,
&end
#
# 186 ILE HN 187 ASP- HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2896,2915, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 187 ASP- HN 188 LEU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=2915,2927, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 187 ASP- HN 187 ASP- HA 4.52
&rst
ixpk= 0, nxpk= 0, iat=2915,2917, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 185 LEU HA 187 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2879,2915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 187 ASP- HN 187 ASP- HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat=2915,2920, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 187 ASP- HN 187 ASP- HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat=2915,2919, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 186 ILE HB 187 ASP- HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=2900,2915, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 186 ILE QD1 187 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2909,2910,2911,
&end
#
# 188 LEU HN 188 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2927,2929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 185 LEU HA 188 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2879,2927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 187 ASP- HB2 188 LEU HN 5.24
&rst
ixpk= 0, nxpk= 0, iat=2919,2927, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 187 ASP- HB3 188 LEU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=2920,2927, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 188 LEU HN 188 LEU HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat=2927,2932, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 188 LEU HN 188 LEU QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat=2927, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2936,2937,2938,
&end
#
# 188 LEU HN 188 LEU HG 4.98
&rst
ixpk= 0, nxpk= 0, iat=2927,2934, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 188 LEU QD1 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2936,2937,2938,
&end
#
# 188 LEU QD2 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 189 HIS HN 189 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2946,2959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU HA 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2929,2946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU HB3 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2932,2946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU HB2 189 HIS HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=2931,2946, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 188 LEU HG 189 HIS HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=2934,2946, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 189 HIS HA 190 ASN HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2948,2963, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 189 HIS HB3 190 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2951,2963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HB2 190 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2950,2963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HN 190 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2963,2968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HN 190 ASN HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat=2963,2967, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 190 ASN HN 191 HIS HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=2963,2977, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 191 HIS HN 191 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2977,2990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HN 191 HIS HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat=2977,2982, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 191 HIS HN 191 HIS HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat=2977,2981, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 190 ASN HB2 191 HIS HN 5.41
&rst
ixpk= 0, nxpk= 0, iat=2967,2977, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 190 ASN HB3 191 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2968,2977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HB2 192 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2981,2994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HN 192 ASP- HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat=2994,2999, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 192 ASP- HN 192 ASP- HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=2994,2998, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 191 HIS HA 192 ASP- HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=2979,2994, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 192 ASP- HN 192 ASP- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2994,2996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HN 192 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2977,2994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HN 193 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2994,3006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HB2 193 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2998,3006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HB3 193 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2999,3006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 193 LEU HN 193 LEU QB 5.07
&rst
ixpk= 0, nxpk= 0, iat=3006, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=3010,3011,
&end
#
# 193 LEU HN 193 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3006, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3019,3020,3021,
&end
#
# 193 LEU QB 194 GLY HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=3010,3011,
&end
#
# 193 LEU QD2 194 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3019,3020,3021,
&end
#
# 193 LEU QD1 194 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3015,3016,3017,
&end
#
# 194 GLY HN 194 GLY HA3 4.35
&rst
ixpk= 0, nxpk= 0, iat=3025,3028, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 194 GLY HN 194 GLY HA2 4.29
&rst
ixpk= 0, nxpk= 0, iat=3025,3027, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 194 GLY HN 195 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HA3 195 GLU- HN 4.99
&rst
ixpk= 0, nxpk= 0, iat=3028,3032, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 194 GLY HA2 195 GLU- HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=3027,3032, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 195 GLU- HN 195 GLU- HA 4.54
&rst
ixpk= 0, nxpk= 0, iat=3032,3034, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 195 GLU- HN 195 GLU- QG 4.82
&rst
ixpk= 0, nxpk= 0, iat=3032, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=3039,3040,
&end
#
# 195 GLU- HN 195 GLU- QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=3032, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3036,3037,
&end
#
# 195 GLU- HN 196 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3032,3047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 195 GLU- HA 196 ASN HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=3034,3047, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 196 ASN HN 196 ASN HA 4.13
&rst
ixpk= 0, nxpk= 0, iat=3047,3049, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 195 GLU- QG 196 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3039,3040,
&end
#
# 195 GLU- QB 196 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3036,3037,
&end
#
# 196 ASN HN 196 ASN HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat=3047,3051, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 196 ASN HN 196 ASN HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat=3047,3052, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 196 ASN HB3 197 HIS HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=3052,3061, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 197 HIS HN 197 HIS HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat=3061,3066, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 197 HIS HN 197 HIS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat=3061,3065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 196 ASN HA 197 HIS HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=3049,3061, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 197 HIS HN 197 HIS HA 4.26
&rst
ixpk= 0, nxpk= 0, iat=3061,3063, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 197 HIS HN 198 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3061,3091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 196 ASN HN 197 HIS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=3047,3061, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 198 HIS HN 198 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3078,3091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 198 HIS HN 198 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3078,3080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 197 HIS HB3 198 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3066,3078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 197 HIS HB2 198 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3065,3078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 198 HIS HN 198 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3078,3083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 198 HIS HN 198 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3078,3082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 198 HIS HN 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3078,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HN 200 ARG+ HN 5.44
&rst
ixpk= 0, nxpk= 0, iat=3095,3114, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 198 HIS HA 199 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=3080,3095, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 199 LEU HN 199 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3095,3097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 198 HIS HB2 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3082,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 198 HIS HB3 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3083,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HN 199 LEU HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat=3095,3100, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 199 LEU HN 199 LEU HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat=3095,3099, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 199 LEU HN 199 LEU QD2 5.22
&rst
ixpk= 0, nxpk= 0, iat=3095, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=3108,3109,3110,
&end
#
# 199 LEU HB3 200 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3100,3114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HB2 200 ARG+ HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=3099,3114, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 200 ARG+ HN 200 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3114,3116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HN 200 ARG+ HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat=3114,3118, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 200 ARG+ HN 200 ARG+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3114,3119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HN 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3114,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL HN 201 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=3138,3142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HB2 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3118,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HB3 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3119,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL HN 201 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=3138, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3144,3145,3146,
&end
#
# 201 VAL HN 201 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3138, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3148,3149,3150,
&end
#
# 202 SER HN 203 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3154,3165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL HA 202 SER HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=3140,3154, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 202 SER HN 202 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3154,3156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 202 SER HN 202 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3154,3159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 202 SER HN 202 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3154,3158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 202 SER HB2 203 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3158,3165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 203 PHE HN 203 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3165,3170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 203 PHE HN 203 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3165,3169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 203 PHE HN 203 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=3165, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3173,3181,
&end
#
# 203 PHE HN 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3165,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 203 PHE HA 204 SER HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=3167,3185, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 204 SER HN 204 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3185,3187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 204 SER HN 204 SER HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat=3185,3190, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 204 SER HN 204 SER HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat=3185,3189, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 127 PHE HD 205 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1993,2001,
&end
#
# 127 PHE HE 205 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1995,1999,
&end
#
# 127 PHE HA 205 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1987,3196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 204 SER HA 205 LYS+ HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=3187,3196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 205 LYS+ HN 205 LYS+ HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=3196,3198, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 204 SER HB2 205 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3189,3196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 204 SER HB3 205 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3190,3196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 205 LYS+ HN 205 LYS+ HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat=3196,3201, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 205 LYS+ HN 205 LYS+ HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat=3196,3200, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 205 LYS+ HN 206 SER HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=3196,3218, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 206 SER HN 207 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3218,3229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 205 LYS+ HA 206 SER HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=3198,3218, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 206 SER HN 206 SER HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=3218,3220, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 206 SER HN 206 SER HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat=3218,3222, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 206 SER HN 206 SER HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat=3218,3223, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 205 LYS+ HB2 206 SER HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=3200,3218, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 205 LYS+ HB3 206 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3201,3218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 207 THR HN 208 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3229,3243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 206 SER HB2 207 THR HN 4.63
&rst
ixpk= 0, nxpk= 0, iat=3222,3229, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 206 SER HB3 207 THR HN 4.85
&rst
ixpk= 0, nxpk= 0, iat=3223,3229, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 207 THR HN 207 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=3229,3233, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 206 SER HA 207 THR HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=3220,3229, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 207 THR HN 207 THR HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=3229,3231, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 207 THR HN 207 THR QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat=3229, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=3235,3236,3237,
&end
#
# 208 ILE HN 208 ILE HG13 4.90
&rst
ixpk= 0, nxpk= 0, iat=3243,3254, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 208 ILE HN 208 ILE HG12 4.81
&rst
ixpk= 0, nxpk= 0, iat=3243,3253, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 208 ILE HN 208 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=3243, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=3256,3257,3258,
&end
#
# 208 ILE HN 208 ILE QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=3243, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=3249,3250,3251,
&end
#
# 166 LYS+ HN 166 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2581,2583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 166 LYS+ HN 166 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2581,2586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 166 LYS+ HN 166 LYS+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2581,2585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLN HB3 166 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2569,2581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HND1 53 ASN HND2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 830, 831, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 53 ASN HA 53 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HA 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 823, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HN 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HB3 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 826, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HB2 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HN 92 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1425,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HNE2 92 GLN HNE1 3.80
&rst
ixpk= 0, nxpk= 0, iat=1438,1437, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 92 GLN HA 92 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1427,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HA 92 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1427,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HG2 92 GLN HNE1 5.21
&rst
ixpk= 0, nxpk= 0, iat=1432,1437, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 92 GLN HG3 92 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1433,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HG3 92 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1433,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HG2 92 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1432,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HB2 92 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1429,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HB3 92 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1430,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN QG 98 GLN HNE1 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1528,1529,
&end
#
# 98 GLN QG 98 GLN HNE2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1528,1529,
&end
#
# 98 GLN HA 98 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1523,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HA 98 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1523,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HB2 98 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1525,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HB3 98 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1526,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HB2 98 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1525,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HB3 98 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HNE1 98 GLN HNE2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1533,1534, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 101 GLN QG 101 GLN HNE1 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1572,1573,
&end
#
# 101 GLN HA 101 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1567,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN QB 101 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1569,1570,
&end
#
# 101 GLN QG 101 GLN HNE2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1572,1573,
&end
#
# 101 GLN HA 101 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1567,1578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN HNE1 101 GLN HNE2 3.17
&rst
ixpk= 0, nxpk= 0, iat=1577,1578, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 101 GLN HN 101 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1565,1577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN HN 101 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1565,1578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HB3 109 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1689,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HB2 109 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1688,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HB2 109 ASN HND2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1688,1694, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 109 ASN HB3 109 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1689,1694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HA 109 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1686,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HA 109 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1686,1694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HND1 109 ASN HND2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1693,1694, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 125 ASN HND1 125 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1961,1962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HB3 125 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1957,1961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HB2 125 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1956,1961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HA 125 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1954,1961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB2 137 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2138,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB2 137 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2138,2143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HB3 137 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2139,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HND2 137 ASN HND1 5.18
&rst
ixpk= 0, nxpk= 0, iat=2144,2143, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 137 ASN HB3 137 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2139,2143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HA 154 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2395,2403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HB2 154 ASN HND1 5.13
&rst
ixpk= 0, nxpk= 0, iat=2397,2402, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 154 ASN HB3 154 ASN HND1 5.39
&rst
ixpk= 0, nxpk= 0, iat=2398,2402, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 154 ASN HA 154 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2395,2402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HND2 154 ASN HND1 3.46
&rst
ixpk= 0, nxpk= 0, iat=2403,2402, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 174 GLN HG3 174 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2734,2738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG2 174 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2733,2738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HB2 174 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2730,2738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HB3 174 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2731,2738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG2 174 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2733,2739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HG3 174 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2734,2739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HB2 174 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2730,2739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HB3 174 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2731,2739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HA 174 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2728,2738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 GLN HNE1 174 GLN HNE2 3.71
&rst
ixpk= 0, nxpk= 0, iat=2738,2739, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 183 GLN HNE2 183 GLN HNE1 4.59
&rst
ixpk= 0, nxpk= 0, iat=2863,2862, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 183 GLN HA 183 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2852,2862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HA 183 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2852,2863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HG2 183 GLN HNE1 5.36
&rst
ixpk= 0, nxpk= 0, iat=2857,2862, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 183 GLN HG3 183 GLN HNE1 5.38
&rst
ixpk= 0, nxpk= 0, iat=2858,2862, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 183 GLN QB 183 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2854,2855,
&end
#
# 183 GLN HG2 183 GLN HNE2 5.25
&rst
ixpk= 0, nxpk= 0, iat=2857,2863, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 183 GLN HG3 183 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2858,2863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN QB 183 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2863, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2854,2855,
&end
#
# 190 ASN HND1 190 ASN HND2 4.82
&rst
ixpk= 0, nxpk= 0, iat=2972,2973, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 190 ASN HB2 190 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2967,2972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HB3 190 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2968,2972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HB2 190 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2967,2973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HA 190 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2965,2973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 196 ASN HA 196 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=3049,3056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 196 ASN HB3 196 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=3052,3056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 196 ASN HB2 196 ASN HND1 5.27
&rst
ixpk= 0, nxpk= 0, iat=3051,3056, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 196 ASN HB2 196 ASN HND2 5.06
&rst
ixpk= 0, nxpk= 0, iat=3051,3057, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 196 ASN HB3 196 ASN HND2 5.45
&rst
ixpk= 0, nxpk= 0, iat=3052,3057, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 196 ASN HA 196 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3049,3057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 196 ASN HND1 196 ASN HND2 3.63
&rst
ixpk= 0, nxpk= 0, iat=3056,3057, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 90 ASN HND1 90 ASN HND2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1404,1405, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 90 ASN QB 90 ASN HND1 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1399,1400,
&end
#
# 90 ASN QB 90 ASN HND2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1399,1400,
&end
#
# 90 ASN HA 90 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1397,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HB3 90 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1383,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HB2 90 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1382,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HB3 90 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1383,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HB2 90 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1382,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN QG 89 GLN HNE1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1385,1386,
&end
#
# 89 GLN QG 89 GLN HNE2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1385,1386,
&end
#
# 89 GLN HB3 89 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1383,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HB2 89 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1382,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HNE1 89 GLN HNE2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1390,1391, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 49 ASN HND1 49 ASN HND2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 757, 758, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 49 ASN HB2 49 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HB3 49 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HA 49 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HA 49 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HNE1 124 GLN HNE2 3.28
&rst
ixpk= 0, nxpk= 0, iat=1947,1948, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 124 GLN HG2 124 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1942,1948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HB2 124 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1939,1948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HB2 124 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1939,1947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HG2 124 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1942,1947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HG3 124 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1943,1947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HG3 124 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1943,1948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HB3 124 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1940,1948, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HB3 124 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1940,1947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLN HG3 165 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2572,2576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLN HG3 165 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2572,2577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLN HB3 165 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2569,2576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLN HB3 165 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2569,2577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLN HNE2 165 GLN HNE1 3.74
&rst
ixpk= 0, nxpk= 0, iat=2577,2576, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 122 ASN HND2 122 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1911,1910, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HB3 122 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1906,1911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HB2 122 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1905,1911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HB3 122 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1906,1910, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ALA HN 12 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HN 15 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HN 13 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HN 15 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 188, 189, 190,
&end
#
# 14 SER HB3 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 176, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HB2 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HB2 15 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HN 56 VAL HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 198, 864, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 16 LEU HN 57 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HN 84 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HN 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HN 56 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HN 55 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HN 54 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 839, 840, 841,
&end
#
# 19 SER HN 82 ARG+ HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 252,1256, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 19 SER HN 82 ARG+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252,1257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HN 82 ARG+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1262,1263,
&end
#
# 20 ASN HN 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HN 52 GLU- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HN 52 GLU- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HN 52 GLU- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HN 21 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 286, 287, 288,
&end
#
# 20 ASN HN 21 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 290, 291, 292,
&end
#
# 20 ASN HN 21 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 281, 282,
&end
#
# 20 ASN HND1 80 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND2 80 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND2 79 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND1 79 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND1 79 LYS+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND1 79 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND1 79 LYS+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND2 79 LYS+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND2 79 LYS+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND2 79 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HND1 80 PRO QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1223,1224,
&end
#
# 20 ASN HND2 80 PRO QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1223,1224,
&end
#
# 19 SER HA 21 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 52 GLU- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HB2 21 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 52 GLU- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HND2 77 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HND1 77 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HND1 77 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HA 24 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HN 26 VAL HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 324, 363, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 24 GLU- HN 25 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 324, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU- HN 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 324, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 26 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 26 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PRO HA 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR QG2 29 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 29 GLN HNE1 33 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 29 GLN HNE2 33 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 30 SER HN 31 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 444, 445, 446,
&end
#
# 30 SER HN 31 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 448, 449, 450,
&end
#
# 30 SER HN 31 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER HN 31 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER HN 32 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HN 34 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 454, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER HA 33 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HN 33 ILE QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 484, 485,
&end
#
# 32 PHE HD 34 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 462, 470,
&end
#
# 34 LEU HN 35 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 520, 528,
&end
#
# 31 LEU HA 34 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 437, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 GLY HN 37 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 549, 550, 551,
&end
#
# 37 VAL HN 38 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 563, 572,
&end
#
# 37 VAL HN 38 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 565, 570,
&end
#
# 37 VAL HN 38 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HN 39 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HN 39 GLY HA3 5.44
&rst
ixpk= 0, nxpk= 0, iat= 576, 579, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 37 VAL QG2 39 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 549, 550, 551,
&end
#
# 39 GLY HA3 40 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 579, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HNE1 59 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 623, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HNE2 59 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 624, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HNE2 59 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 41 VAL QG1 43 ARG+ HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 601, 602, 603,
&end
#
# 44 VAL HN 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 105 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652,1624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ HN 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 45 LYS+ HN 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 45 LYS+ HN 55 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 854, 855, 856,
&end
#
# 46 ILE HN 104 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 103 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690,1591, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ HE2 46 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 681, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 103 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 103 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690,1593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 103 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690,1596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 103 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1598,1599,1600,
&end
#
# 46 ILE HN 104 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1614,1615,1616,
&end
#
# 48 PHE HA 49 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 730, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS+ HN 51 LYS+ HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 784, 789, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 50 LYS+ QB 51 LYS+ HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 766, 767,
&end
#
# 51 LYS+ HN 52 GLU- HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 784, 806, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 52 GLU- HN 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 806, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS+ HA 52 GLU- HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 764, 806, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 50 LYS+ QB 52 GLU- HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 766, 767,
&end
#
# 51 LYS+ HA 53 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HN 53 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HA 53 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU QD1 53 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 21 LEU QD2 53 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 19 SER HA 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HB2 53 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HB2 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HN 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HN 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HA 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL QG2 54 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 246, 247, 248,
&end
#
# 54 ALA HN 55 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 835, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HN 56 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 870, 871, 872,
&end
#
# 55 LEU HN 56 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 845, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HA 56 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 VAL HN 57 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 864, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HA 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HB3 57 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HB2 57 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HB2 57 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HB3 57 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HN 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL HA 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL QG1 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 188, 189, 190,
&end
#
# 15 VAL QG2 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 193, 194,
&end
#
# 41 VAL QG1 59 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 601, 602, 603,
&end
#
# 60 ASP- HN 63 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 MET HA 60 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 899, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HB2 60 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 MET QG 60 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 904, 905,
&end
#
# 58 MET QE 60 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 908, 909, 910,
&end
#
# 58 MET QB 60 ASP- HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 901, 902,
&end
#
# 60 ASP- HN 63 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP- HN 63 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HN 65 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HA 63 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 969, 970,
&end
#
# 65 GLN HN 66 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 984,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HNE1 68 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1041,1042,1043,
&end
#
# 65 GLN HNE1 85 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1318,1319,1320,
&end
#
# 65 GLN HNE1 85 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1322,1323,1324,
&end
#
# 65 GLN HNE2 85 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1322,1323,1324,
&end
#
# 65 GLN HNE2 85 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1318,1319,1320,
&end
#
# 66 LEU HN 68 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1001,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HN 67 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 984,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET HN 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 71 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 72 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA HA 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU HA 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1003,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA QB 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1024,1025,1026,
&end
#
# 66 LEU QD1 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1010,1011,1012,
&end
#
# 67 ALA HA 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA QB 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1024,1025,1026,
&end
#
# 70 HIS HN 71 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HN 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 70 HIS HN 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1084,1085,1086,
&end
#
# 66 LEU QD1 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1010,1011,1012,
&end
#
# 68 MET HA 71 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1032,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HB3 71 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1063,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HB2 71 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1062,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HN 71 LEU HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1075,1079, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 70 HIS HN 72 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 MET HA 72 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1032,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HN 83 ILE QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1289,1290,1291,
&end
#
# 72 ASN HN 72 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1094,1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HND1 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1103,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HND1 83 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1289,1290,1291,
&end
#
# 72 ASN HND2 83 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1289,1290,1291,
&end
#
# 72 ASN HND2 83 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1104,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLY HN 83 ILE HN 5.47
&rst
ixpk= 0, nxpk= 0, iat=1108,1276, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 73 GLY HN 82 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108,1254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLY HN 74 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLY HN 83 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1289,1290,1291,
&end
#
# 73 GLY HN 81 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1246,1247,1248,
&end
#
# 74 HIS HN 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 74 HIS HN 81 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1246,1247,1248,
&end
#
# 74 HIS HN 81 ILE HG12 5.44
&rst
ixpk= 0, nxpk= 0, iat=1115,1243, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 74 HIS HD2 75 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1128,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HN 78 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 HIS HD2 78 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLY HN 79 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1190,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HN 79 LYS+ HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=1154,1197, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 81 ILE HN 81 ILE HG13 4.81
&rst
ixpk= 0, nxpk= 0, iat=1233,1244, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 72 ASN HND2 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1104,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HND1 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1103,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HA 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1096,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LEU HN 86 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1309,1328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HN 86 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217,1328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU QD1 86 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 87 LYS+ HN 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1339,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS+ HN 87 LYS+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1339,1349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS+ HN 87 LYS+ HD3 5.47
&rst
ixpk= 0, nxpk= 0, iat=1339,1350, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 88 HIS HN 88 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1361,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS+ HB3 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1344,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS+ HD2 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1349,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS+ HD3 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1350,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN HN 90 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN HN 90 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN HN 91 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 HIS HB3 90 ASN HN 5.46
&rst
ixpk= 0, nxpk= 0, iat=1366,1395, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 88 HIS HB2 90 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1365,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ARG+ QD 98 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1485,1486,
&end
#
# 97 GLY HA3 98 GLN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1517,1521, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 95 ARG+ HB3 98 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1480,1521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ARG+ QD 98 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1485,1486,
&end
#
# 95 ARG+ QD 98 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1485,1486,
&end
#
# 95 ARG+ QG 98 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1482,1483,
&end
#
# 98 GLN HNE2 99 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1534,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 GLY HN 103 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1582,1593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 GLY HN 103 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1602,1603,1604,
&end
#
# 46 ILE HN 103 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690,1589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE QD1 103 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 703, 704, 705,
&end
#
# 103 LEU QD1 104 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1598,1599,1600,
&end
#
# 105 LYS+ HN 107 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 105 LYS+ HN 105 LYS+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HN 105 LYS+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HN 105 LYS+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HN 105 LYS+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HN 105 LYS+ HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL QG1 105 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 658, 659, 660,
&end
#
# 44 VAL QG2 105 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 662, 663, 664,
&end
#
# 106 ASP- HN 107 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 104 THR HB 106 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HG3 106 ASP- HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1630,1644, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 43 ARG+ QB 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 632, 633,
&end
#
# 43 ARG+ HG2 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 635,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HD 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1673,
&end
#
# 106 ASP- HN 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1644,1677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLY HN 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1677,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HN 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1684,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLY HN 109 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1677,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU HN 113 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1723,1747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 PRO HB2 112 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1716,1723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU HN 113 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1723,1746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HA 112 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1700,1723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HN 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1698,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HE 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1666,1671,
&end
#
# 107 TYR HD 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1673,
&end
#
# 110 SER HB3 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1703,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HB2 113 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1702,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ARG+ HN 115 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1793,1797,
&end
#
# 115 PHE HN 115 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1791,1799,
&end
#
# 118 PRO HB2 119 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1854,1861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 PRO HB3 119 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1855,1861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 PRO HD2 119 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1848,1861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 SER HN 123 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1925,1929,
&end
#
# 120 SER HN 123 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1868,1919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HB3 123 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1906,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HB2 123 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1905,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HN 125 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HN 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1979,1980,1981,
&end
#
# 125 ASN HN 126 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASN HN 126 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HN 126 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1935,1966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HN 123 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1901,1917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 PHE HA 124 GLN HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1917,1935, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 127 PHE HN 127 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1995,1999,
&end
#
# 126 ILE HG12 127 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1976,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 ILE HG13 127 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1977,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HN 203 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033,3177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HN 174 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HA 132 THR HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=2035,2054, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 130 SER HB2 132 THR HN 5.25
&rst
ixpk= 0, nxpk= 0, iat=2037,2054, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 130 SER HB3 132 THR HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2038,2054, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 131 ALA HN 178 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2044,2780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ALA HN 178 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2788,2789,2790,
&end
#
# 131 ALA QB 177 SER HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 133 LEU HN 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HN 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 134 HIS HN 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HN 199 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,3097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HN 200 ARG+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,3118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HN 199 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3104,3105,3106,
&end
#
# 136 SER HN 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2161,2162,2163,
&end
#
# 137 ASN HN 138 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2154,2155,2156,
&end
#
# 137 ASN HN 138 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2134,2152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HND2 198 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2144,3078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HND1 198 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2143,3078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HA 137 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2136,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE HN 138 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2148, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2154,2155,2156,
&end
#
# 140 PRO HG2 141 SER HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=2185,2195, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 139 PRO HB3 141 SER HN 5.22
&rst
ixpk= 0, nxpk= 0, iat=2175,2195, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 139 PRO HB2 141 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2174,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 SER HN 147 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2222,2275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 SER HN 146 ASP- HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat=2222,2268, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 143 SER HN 146 ASP- HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat=2222,2267, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 145 GLU- HN 147 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2248,2275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 GLU- HN 146 ASP- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2248,2267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 SER HN 146 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2222,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 SER HA 146 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2224,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 SER HB2 146 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2226,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ASP- HB3 148 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2268,2294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 LYS+ HN 148 LYS+ HD2 5.31
&rst
ixpk= 0, nxpk= 0, iat=2294,2304, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 148 LYS+ HN 148 LYS+ HD3 5.28
&rst
ixpk= 0, nxpk= 0, iat=2294,2305, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 149 VAL HN 150 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2316,2334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HA 152 SER HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=2318,2371, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 150 LEU HN 151 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2332,2355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HN 150 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2341,2342,2343,
&end
#
# 150 LEU QD1 153 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2341,2342,2343,
&end
#
# 148 LYS+ HA 151 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2296,2351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HN 152 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2316,2371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 SER HN 153 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2371,2384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL QG1 152 SER HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2371, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=2322,2323,2324,
&end
#
# 149 VAL QG2 152 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2371, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2326,2327,2328,
&end
#
# 151 PHE HN 153 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2351,2382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HA 153 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2353,2382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 SER HN 154 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2382,2397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HN 155 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2393,2409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 SER HN 155 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2382,2407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HB3 156 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2398,2414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HB2 156 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2397,2414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 GLY HN 157 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2431,2432,2433,
&end
#
# 156 GLY HN 157 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2427,2428,2429,
&end
#
# 157 VAL HN 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2421,2745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 157 VAL HN 175 MET QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2750,2751,
&end
#
# 157 VAL QG1 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2427,2428,2429,
&end
#
# 158 VAL HN 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2437,2745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HN 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HN 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 159 LYS+ HN 159 LYS+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2463,2464,
&end
#
# 160 GLY HN 174 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLY HN 161 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLY HN 174 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 VAL QG1 160 GLY HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2475, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2443,2444,2445,
&end
#
# 159 LYS+ HB3 161 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2458,2482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU QD2 200 ARG+ HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,3114, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=3108,3109,3110,
&end
#
# 162 LYS+ HN 171 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502,2680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HN 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 162 LYS+ HN 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 164 PHE HN 164 PHE HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=2544,2546, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 168 ARG+ HA 170 MET HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2617,2661, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 170 MET HN 170 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661,2669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HN 170 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661,2668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HN 171 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2682,2683,2684,
&end
#
# 164 PHE HD 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2678, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2552,2560,
&end
#
# 164 PHE HE 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2678, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2554,2558,
&end
#
# 170 MET HG2 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2668,2678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HG3 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2669,2678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU HN 173 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2688,2709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU HN 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2688, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 172 LEU HN 172 LEU HG 5.35
&rst
ixpk= 0, nxpk= 0, iat=2688,2695, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 175 MET HN 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2743,2760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ALA HA 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2046,2743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HN 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 ALA QB 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2743, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 159 LYS+ QD 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2463,2464,
&end
#
# 159 LYS+ HG3 176 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2461,2760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 177 SER HN 178 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2767,2778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET QG 177 SER HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2750,2751,
&end
#
# 177 SER HN 180 GLU- QG 5.40
&rst
ixpk= 0, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2816,2817,
&end
#
# 175 MET HB3 177 SER HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=2748,2767, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 131 ALA QB 178 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2778, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 177 SER HA 179 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2769,2794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL HA 180 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2780,2809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL QG1 180 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2809, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2784,2785,2786,
&end
#
# 178 VAL HA 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2780,2824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL QG1 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2784,2785,2786,
&end
#
# 181 ALA HN 182 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2844,2845,2846,
&end
#
# 181 ALA HN 184 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2871,2872,2873,
&end
#
# 182 VAL HN 203 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=2834,3177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 182 VAL HN 203 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3175,3179,
&end
#
# 178 VAL HA 182 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2780,2834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 178 VAL QG1 182 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2834, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2784,2785,2786,
&end
#
# 183 GLN HN 185 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2850,2877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 181 ALA HN 183 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2824,2850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HN 184 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2850, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2871,2872,2873,
&end
#
# 181 ALA QB 183 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2850, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2828,2829,2830,
&end
#
# 183 GLN HNE1 186 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2862, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2909,2910,2911,
&end
#
# 183 GLN HNE2 186 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2863, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2909,2910,2911,
&end
#
# 182 VAL HN 184 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2834,2867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 181 ALA QB 184 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2867, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2828,2829,2830,
&end
#
# 185 LEU QD1 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 184 ALA QB 187 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2871,2872,2873,
&end
#
# 187 ASP- HN 188 LEU HG 5.41
&rst
ixpk= 0, nxpk= 0, iat=2915,2934, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 185 LEU QD2 187 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 187 ASP- HN 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2915, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 186 ILE HN 188 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2896,2927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HN 191 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2946,2977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HN 201 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2946,3142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HD2 190 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2959,2963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HN 200 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2963,3116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HN 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2963,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 190 ASN HN 201 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2963, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3148,3149,3150,
&end
#
# 189 HIS HA 191 HIS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=2948,2977, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 188 LEU QD2 191 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2977, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 191 HIS HD2 192 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2990,2994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 198 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 197 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HB2 194 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2998,3025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 197 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HA2 196 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3027,3047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HA3 196 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3028,3047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 196 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 197 HIS HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=3025,3061, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 195 GLU- HN 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3032,3061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HA2 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3027,3061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HA3 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3028,3061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 195 GLU- HA 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3034,3061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 195 GLU- QG 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3039,3040,
&end
#
# 195 GLU- QB 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3036,3037,
&end
#
# 193 LEU QD1 197 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3061, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3015,3016,3017,
&end
#
# 197 HIS HA 198 HIS HN 3.91
&rst
ixpk= 0, nxpk= 0, iat=3063,3078, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 197 HIS HN 198 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3061,3078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 193 LEU HN 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3006,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 198 HIS HD2 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3091,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HD2 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2990,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HA 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2996,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 199 LEU HN 199 LEU QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat=3095, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=3104,3105,3106,
&end
#
# 199 LEU HN 199 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=3095,3102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL HN 201 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3138,3140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HD2 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3124,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 200 ARG+ HG2 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3121,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HA 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2948,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HN 202 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087,3154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HA 202 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2106,3154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL HB 202 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3142,3154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 201 VAL QG2 202 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3148,3149,3150,
&end
#
# 201 VAL QG1 202 SER HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,3154, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=3144,3145,3146,
&end
#
# 135 LEU QD2 202 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2117,2118,2119,
&end
#
# 201 VAL QG1 203 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3144,3145,3146,
&end
#
# 203 PHE HB2 204 SER HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=3169,3185, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 133 LEU QD2 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2081,2082,2083,
&end
#
# 133 LEU HB3 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2073,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HB2 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2072,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 205 LYS+ QD 206 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3206,3207,
&end
#
# 13 ASN HN 14 SER HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 157, 171, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 17 LEU HN 85 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 21 LEU HN 21 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 286, 287, 288,
&end
#
# 33 ILE QG2 34 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 480, 481, 482,
&end
#
# 44 VAL HN 44 VAL QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 662, 663, 664,
&end
#
# 44 VAL HN 44 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 658, 659, 660,
&end
#
# 52 GLU- HN 52 GLU- HG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 806, 813, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 62 ASN HN 63 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 969, 970,
&end
#
# 74 HIS HN 81 ILE HN 4.96
&rst
ixpk= 0, nxpk= 0, iat=1115,1233, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 75 LYS+ HN 76 LEU HN 5.36
&rst
ixpk= 0, nxpk= 0, iat=1132,1154, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 82 ARG+ HN 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1252,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HN 83 ILE HG13 5.19
&rst
ixpk= 0, nxpk= 0, iat=1276,1287, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 90 ASN HN 90 ASN HA 4.98
&rst
ixpk= 0, nxpk= 0, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 92 GLN HN 92 GLN HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 95 ARG+ HN 95 ARG+ QG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1482,1483,
&end
#
# 105 LYS+ HA 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ARG+ HN 114 ARG+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1759,1763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HN 133 LEU QD2 5.09
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2081,2082,2083,
&end
#
# 136 SER HN 136 SER HA 4.59
&rst
ixpk= 0, nxpk= 0, iat=2123,2125, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 145 GLU- HN 145 GLU- HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat=2248,2253, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 146 ASP- HA 148 LYS+ HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=2265,2294, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 152 SER HN 153 SER HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=2371,2382, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 159 LYS+ HN 159 LYS+ HA 4.36
&rst
ixpk= 0, nxpk= 0, iat=2453,2455, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 161 PHE HB2 162 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2486,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE HN 48 PHE HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 728, 733, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 170 MET HN 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661,2678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 138 ILE HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2125,2148, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 133 LEU HN 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 179 GLU- HN 179 GLU- HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat=2794,2798, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 131 ALA HN 131 ALA HA 4.66
&rst
ixpk= 0, nxpk= 0, iat=2044,2046, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 185 LEU HA 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2879,2946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HN 189 HIS HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat=2946,2951, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 189 HIS HN 189 HIS HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat=2946,2950, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 191 HIS HN 191 HIS HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=2977,2979, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 136 SER HN 200 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,3114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HN 201 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2946,3138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 206 SER HN 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=3218, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 207 THR HN 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=3229, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 89 GLN HA 89 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1380,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HN 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PRO HB2 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR HN 28 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HN 34 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HA 37 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL QG1 39 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 545, 546, 547,
&end
#
# 38 TYR HD 40 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 572,
&end
#
# 38 TYR HB3 40 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HN 59 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 41 VAL QG1 42 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 601, 602, 603,
&end
#
# 43 ARG+ HN 44 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 662, 663, 664,
&end
#
# 47 LEU HN 48 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 709, 728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HN 50 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU QD1 52 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 21 LEU QD2 53 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 21 LEU QD2 53 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 60 ASP- HN 62 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU QD2 69 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1014,1015,1016,
&end
#
# 70 HIS HN 71 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL QG1 84 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 242, 243, 244,
&end
#
# 96 GLU- HN 98 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1499,1521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ARG+ HB2 98 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1479,1521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 GLN HB2 92 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1429,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLN HNE1 125 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1947,1952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 PRO HB2 130 SER HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=2026,2033, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 185 LEU HN 186 ILE QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2909,2910,2911,
&end
#
# 134 HIS HN 135 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2087,2106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HN 138 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,2148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HB3 200 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2128,3114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE HN 138 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2148,2152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 SER HN 142 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2216,2217,2218,
&end
#
# 146 ASP- HN 147 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2288,2289,2290,
&end
#
# 148 LYS+ HN 148 LYS+ HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2294,2307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HN 150 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2345,2346,2347,
&end
#
# 146 ASP- HB2 148 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2267,2294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 LEU HN 151 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2359,2367,
&end
#
# 185 LEU QD2 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 149 VAL HN 151 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2316,2351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HN 152 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2351,2376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 LYS+ HB2 152 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2298,2371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HB 152 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2320,2371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HA 153 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2318,2382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HND1 179 GLU- HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2402,2802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HND2 179 GLU- HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2403,2802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 GLY HN 157 VAL HB 4.87
&rst
ixpk= 0, nxpk= 0, iat=2414,2425, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 159 LYS+ HA 160 GLY HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=2455,2475, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 160 GLY HN 161 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 PHE HN 172 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2697,2698,2699,
&end
#
# 161 PHE HN 162 LYS+ QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2506,2507,
&end
#
# 161 PHE HN 162 LYS+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2482,2509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 162 LYS+ HN 172 LEU QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2697,2698,2699,
&end
#
# 169 LYS+ HN 171 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2639,2678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 LEU QD1 174 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2697,2698,2699,
&end
#
# 172 LEU QD1 174 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2697,2698,2699,
&end
#
# 159 LYS+ HN 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 149 VAL HB 151 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2320,2351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 177 SER HB3 180 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2772,2809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 181 ALA HN 182 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat=2824,2838, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 182 VAL HN 183 GLN QB 5.43
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2854,2855,
&end
#
# 182 VAL HN 183 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2834,2858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 182 VAL QG1 183 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2862, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2840,2841,2842,
&end
#
# 182 VAL QG1 183 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2863, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2840,2841,2842,
&end
#
# 13 ASN HN 13 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU HB2 190 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2931,2963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 198 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HB3 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2982,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HA 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2979,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU QD2 203 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2117,2118,2119,
&end
#
# 205 LYS+ QG 206 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3203,3204,
&end
#
# 146 ASP- HN 147 LEU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=2263,2275, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 142 VAL HB 147 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2210,2275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HN 65 GLN HNE2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 984, 997, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 62 ASN HN 65 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 943, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HNE2 66 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HN 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2977,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HN 199 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2977,3100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HN 199 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2977,3099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 203 PHE HA 205 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3167,3196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 HIS HD2 86 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374,1332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HD2 86 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374,1333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HD2 55 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HD2 55 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374, 852, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HD2 55 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 849, 850,
&end
#
# 88 HIS HD2 55 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374, 847, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HD2 17 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HD2 15 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HD2 15 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HE1 87 LYS+ QE 3.00
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1352,1353,
&end
#
# 88 HIS HE1 87 LYS+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1349,1350,
&end
#
# 48 PHE HD 47 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 744,
&end
#
# 48 PHE HE 47 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 738, 742,
&end
#
# 48 PHE HD 47 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 744,
&end
#
# 82 ARG+ QD 216 RU H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3489, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1262,1263,
&end
#
# 19 SER QB 216 RU H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 257,
&end
#
# 17 LEU QQD 216 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223,3484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 SER QB 216 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3484, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 256, 257,
&end
#
# 17 LEU QQD 216 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223,3481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 LYS+ QE 216 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3481, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 797, 798,
&end
#
# 17 LEU QQD 217 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 223,3517, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 LEU HG 217 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 224,3517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 THR QG2 217 RC H6 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3517, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1301,1302,1303,
&end
#
# 87 LYS+ QD 217 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1349,1350,
&end
#
# 87 LYS+ QE 217 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3517, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1352,1353,
&end
#
# 17 LEU QQD 217 RC H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 223,3519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 LEU HG 217 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= 224,3519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 THR QG2 217 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1301,1302,1303,
&end
#
# 88 HIS HD2 217 RC H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=1374,3519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 LYS+ QD 217 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3519, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1349,1350,
&end
#
# 87 LYS+ QE 217 RC H5 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3519, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1352,1353,
&end
#
# 17 LEU QQD 217 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223,3514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 LYS+ QD 217 RC H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3514, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1349,1350,
&end
#
# 87 LYS+ QE 217 RC H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3514, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1352,1353,
&end
#
# 88 HIS HD2 217 RC H1' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1374,3514, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 HIS HE1 217 RC H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1371,3514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 55 LEU QQD 217 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 851,3514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 LYS+ QE 217 RC H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3530, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1352,1353,
&end
#
# 88 HIS HD2 217 RC H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374,3530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HE1 217 RC H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1371,3530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 217 RC H3' 47 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat=3528, 715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 217 RC H4' 47 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat=3511, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LYS+ QD 217 RC H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 794, 795,
&end
#
# 51 LYS+ QE 217 RC Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 797, 798,
igr2=3508,3509,
&end
#
# 51 LYS+ QD 217 RC Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 794, 795,
igr2=3508,3509,
&end
#
# 88 HIS HD2 218 RU H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=1374,3550, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HE1 218 RU H5 3.00
&rst
ixpk= 0, nxpk= 0, iat=1371,3550, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 LYS+ QD 218 RU H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3545, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 678, 679,
&end
#
# 45 LYS+ QE 218 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3545, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 681, 682,
&end
#
# 91 VAL HA 218 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1411,3545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 VAL HB 218 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1413,3545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 GLN QB 218 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3545, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1429,1430,
&end
#
# 92 GLN QG 218 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3545, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1432,1433,
&end
#
# 104 THR QG2 218 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1614,1615,1616,
&end
#
# 218 RU H1' 91 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=3545,1412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 218 RU H4' 47 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat=3542, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 218 RU Q5' 47 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3539,3540,
&end
#
# 48 PHE QB 219 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3578, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 732, 733,
&end
#
# 48 PHE HD 219 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3578, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 744,
&end
#
# 48 PHE HE 219 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3578, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 738, 742,
&end
#
# 47 LEU QQD 219 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 715,3578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 PHE HD 219 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3580, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 744,
&end
#
# 48 PHE HE 219 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3580, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 738, 742,
&end
#
# 47 LEU QQD 219 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= 715,3580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 PHE HD 219 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3575, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 744,
&end
#
# 48 PHE HE 219 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3575, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 738, 742,
&end
#
# 48 PHE HD 219 RC H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 744,
&end
#
# 48 PHE HE 219 RC H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 738, 742,
&end
#
# 94 PRO HA 220 RU H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1471,3606, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 PRO QB 220 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3606, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1468,1469,
&end
#
# 95 ARG+ QD 220 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3606, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1485,1486,
&end
#
# 95 ARG+ QG 220 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3606, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1482,1483,
&end
#
# 94 PRO HA 220 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1471,3621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 PRO QB 220 RU H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1468,1469,
&end
#
# 95 ARG+ QD 220 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1485,1486,
&end
#
# 95 ARG+ QG 220 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1482,1483,
&end
#
# 95 ARG+ QD 220 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3603, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1485,1486,
&end
#
# 212 RU H6 136 SER QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=3366, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2127,2128,
&end
#
# 200 ARG+ HA 212 RU H6 7.00
&rst
ixpk= 0, nxpk= 0, iat=3116,3366, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 200 ARG+ QD 212 RU H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=3124,3125,
&end
#
# 200 ARG+ QB 212 RU H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3118,3119,
&end
#
# 212 RU H5 136 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=3368, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2127,2128,
&end
#
# 200 ARG+ HA 212 RU H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=3116,3368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 200 ARG+ HD2 212 RU H5 3.50
&rst
ixpk= 0, nxpk= 0, iat=3124,3368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 200 ARG+ HD3 212 RU H5 3.50
&rst
ixpk= 0, nxpk= 0, iat=3125,3368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 200 ARG+ HB2 212 RU H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=3118,3368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 200 ARG+ HB3 212 RU H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=3119,3368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 200 ARG+ QG 212 RU H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3368, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3121,3122,
&end
#
# 189 HIS HE1 212 RU H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=2956,3368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 205 LYS+ QE 212 RU H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=3209,3210,
&end
#
# 205 LYS+ QD 212 RU H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3206,3207,
&end
#
# 202 SER QB 212 RU H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=3158,3159,
&end
#
# 134 HIS HE1 212 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=2097,3363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 170 MET QE 212 RU H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3363, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2672,2673,2674,
&end
#
# 125 ASN HB3 212 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1957,3363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 ASN HB2 212 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1956,3363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 170 MET QE 212 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2672,2673,2674,
&end
#
# 134 HIS HE1 212 RU H4' 3.50
&rst
ixpk= 0, nxpk= 0, iat=2097,3360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ASN HB3 213 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1957,3396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 ASN HB2 213 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1956,3396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 205 LYS+ QE 213 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3209,3210,
&end
#
# 205 LYS+ QD 213 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3206,3207,
&end
#
# 202 SER QB 213 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3158,3159,
&end
#
# 134 HIS HD2 213 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=2100,3398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 HIS HE1 213 RC H5 4.00
&rst
ixpk= 0, nxpk= 0, iat=2097,3398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 127 PHE HD 213 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1993,2001,
&end
#
# 127 PHE HE 213 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1995,1999,
&end
#
# 125 ASN HA 213 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=1954,3398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 ASN HB3 213 RC H5 3.50
&rst
ixpk= 0, nxpk= 0, iat=1957,3398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ASN HB2 213 RC H5 3.50
&rst
ixpk= 0, nxpk= 0, iat=1956,3398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 172 LEU QQD 213 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=2694,3393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 164 PHE HZ 213 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=2556,3393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 164 PHE HE 213 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3393, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2554,2558,
&end
#
# 134 HIS HD2 213 RC H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat=2100,3393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 205 LYS+ QE 213 RC H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3209,3210,
&end
#
# 205 LYS+ QE 213 RC H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=3209,3210,
&end
#
# 164 PHE HE 213 RC H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2554,2558,
&end
#
# 170 MET QE 213 RC H4' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2672,2673,2674,
&end
#
# 170 MET QE 213 RC Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2672,2673,2674,
igr2=3387,3388,
&end
#
# 164 PHE HE 214 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2554,2558,
&end
#
# 164 PHE HD 214 RU H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2552,2560,
&end
#
# 164 PHE HE 214 RU H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2554,2558,
&end
#
# 166 LYS+ QE 214 RU H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3429, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2594,2595,
&end
#
# 166 LYS+ QD 214 RU H5 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2591,2592,
&end
#
# 162 LYS+ QE 214 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3424, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2515,2516,
&end
#
# 162 LYS+ QD 214 RU H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2512,2513,
&end
#
# 172 LEU QQD 214 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=2694,3439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 214 RU H2' 164 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=3439, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2554,2558,
&end
#
# 214 RU H2' 164 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=3439,2556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 214 RU H3' 164 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=3437, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2554,2558,
&end
#
# 214 RU H3' 164 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=3437,2556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 HIS HD2 164 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=2100,2556, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 134 HIS HD2 172 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2100,2690, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 HIS HD2 204 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2100,3187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 164 PHE HD 172 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2690, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2552,2560,
&end
#
# 164 PHE HZ 172 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat=2556,2694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 189 HIS HE1 200 ARG+ HA 3.00
&rst
ixpk= 0, nxpk= 0, iat=2956,3116, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 127 PHE HD 125 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1993,2001,
igr2=1956,1957,
&end
#
# 127 PHE HE 125 ASN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1995,1999,
igr2=1956,1957,
&end
# 3625 atoms read from pdb file ../PTB34.amb.pdb.
# 209 CYT DELTA: (209 RC5 C5')-(209 RC5 C4')-(209 RC5 C3')-(209 RC5 O3') 130.0 190.0
&rst iat = 3264, 3267, 3284, 3290,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
rk2 = 32.0, rk3 = 32.0, &end
# 210 URA DELTA: (210 RU C5')-(210 RU C4')-(210 RU C3')-(210 RU O3') 130.0 190.0
&rst iat = 3295, 3298, 3314, 3320,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 211 CYT DELTA: (211 RC C5')-(211 RC C4')-(211 RC C3')-(211 RC O3') 130.0 190.0
&rst iat = 3325, 3328, 3345, 3351,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 212 URA DELTA: (212 RU C5')-(212 RU C4')-(212 RU C3')-(212 RU O3') 130.0 190.0
&rst iat = 3356, 3359, 3375, 3381,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 213 CYT DELTA: (213 RC C5')-(213 RC C4')-(213 RC C3')-(213 RC O3') 130.0 190.0
&rst iat = 3386, 3389, 3406, 3412,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 214 URA DELTA: (214 RU3 C5')-(214 RU3 C4')-(214 RU3 C3')-(214 RU3 O3') 130.0 190.0
&rst iat = 3417, 3420, 3436, 3442,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 215 CYT DELTA: (215 RC5 C5')-(215 RC5 C4')-(215 RC5 C3')-(215 RC5 O3') 130.0 190.0
&rst iat = 3446, 3449, 3466, 3472,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 216 URA DELTA: (216 RU C5')-(216 RU C4')-(216 RU C3')-(216 RU O3') 130.0 190.0
&rst iat = 3477, 3480, 3496, 3502,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 217 CYT DELTA: (217 RC C5')-(217 RC C4')-(217 RC C3')-(217 RC O3') 130.0 190.0
&rst iat = 3507, 3510, 3527, 3533,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 218 URA DELTA: (218 RU C5')-(218 RU C4')-(218 RU C3')-(218 RU O3') 130.0 190.0
&rst iat = 3538, 3541, 3557, 3563,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 219 CYT DELTA: (219 RC C5')-(219 RC C4')-(219 RC C3')-(219 RC O3') 130.0 190.0
&rst iat = 3568, 3571, 3588, 3594,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 220 URA DELTA: (220 RU3 C5')-(220 RU3 C4')-(220 RU3 C3')-(220 RU3 O3') 130.0 190.0
&rst iat = 3599, 3602, 3618, 3624,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
#
# 16 LEU HN 56 VAL O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 198, 878, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,
rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
&end
#
# 17 LEU HN 84 THR O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 217,1307, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 18 VAL HN 54 ALA O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 236, 843, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 19 SER HN 82 ARG+ O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 252,1274, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 31 LEU HN 27 THR O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 435, 391, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 32 PHE HN 28 PRO O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 454, 405, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 33 ILE HN 29 GLN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 474, 422, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 34 LEU HN 30 SER O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 493, 433, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 35 PHE HN 31 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 512, 452, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 36 GLY HN 32 PHE O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 532, 472, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 37 VAL HN 33 ILE O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 539, 491, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 38 TYR HN 34 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 555, 510, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 39 GLY HN 35 PHE O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 576, 530, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 43 ARG+ HN 57 GLN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 628, 895, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 44 VAL HN 105 LYS+ O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 652,1642, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 45 LYS+ HN 55 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 668, 862, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 46 ILE HN 103 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 690,1606, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 47 LEU HN 53 ASN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 709, 833, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 54 ALA HN 18 VAL O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 835, 250, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 55 LEU HN 45 LYS+ O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 845, 688, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 56 VAL HN 16 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 864, 215, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 57 GLN HN 43 ARG+ O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 880, 650, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 58 MET HN 14 SER O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat= 897, 180, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 66 LEU HN 62 ASN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1001, 955, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 67 ALA HN 63 GLN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1020, 972, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 68 MET HN 64 ALA O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1030, 982, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 69 SER HN 65 GLN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1047, 999, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 70 HIS HN 66 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1058,1018, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 71 LEU HN 67 ALA O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1075,1028, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 72 ASN HN 68 MET O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1094,1045, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 82 ARG+ HN 19 SER O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1252, 261, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 84 THR HN 17 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=1295, 234, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 133 LEU HN 173 ILE O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2068,2724, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 134 HIS HN 202 SER O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2087,3163, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 135 LEU HN 171 ALA O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2104,2686, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 136 SER HN 200 ARG+ O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2123,3136, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 147 LEU HN 143 SER O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2275,2231, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 148 LYS+ HN 144 GLU- O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2294,2246, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 150 LEU HN 146 ASP- O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2332,2273, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 151 PHE HN 147 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2351,2292, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 152 SER HN 148 LYS+ O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2371,2314, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 159 LYS+ HN 174 GLN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2453,2741, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 160 GLY HN 174 GLN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2475,2741, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 162 LYS+ HN 172 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2502,2705, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 164 PHE HN 170 MET O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2544,2676, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 171 ALA HN 135 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2678,2121, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 172 LEU HN 162 LYS+ O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2688,2522, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 173 ILE HN 133 LEU O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2707,2085, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 174 GLN HN 160 GLY O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2726,2480, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 181 ALA HN 177 SER O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2824,2776, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 182 VAL HN 178 VAL O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2834,2792, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 183 GLN HN 179 GLU- O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2850,2807, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 184 ALA HN 180 GLU- O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2867,2822, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 185 LEU HN 181 ALA O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2877,2832, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 186 ILE HN 182 VAL O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2896,2848, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 187 ASP- HN 183 GLN O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2915,2865, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 188 LEU HN 184 ALA O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=2927,2875, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 200 ARG+ HN 136 SER O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=3114,2132, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 202 SER HN 134 HIS O 1.7 2.3
&rst
ixpk= 0, nxpk= 0, iat=3154,2102, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end
#
# 216 RU H6 216 RU H1' 3.5 50
&rst
ixpk= 0, nxpk= 0, iat=3487,3484, r1= 3.00, r2= 3.50, r3=50.00, r4=50.50, &end
#
# 217 RC H6 217 RC H1' 3.5 50
&rst
ixpk= 0, nxpk= 0, iat=3517,3514, r1= 3.00, r2= 3.50, r3=50.00, r4=50.50, &end
#
# 218 RU H6 218 RU H1' 3.5 50
&rst
ixpk= 0, nxpk= 0, iat=3548,3545, r1= 3.00, r2= 3.50, r3=50.00, r4=50.50, &end
#
# 219 RC H6 219 RC H1' 3.5 50
&rst
ixpk= 0, nxpk= 0, iat=3578,3575, r1= 3.00, r2= 3.50, r3=50.00, r4=50.50, &end
#
# 17 LEU QQD 87 LYS+ QE 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1352,1353,
&end
#
# 17 LEU HG 87 LYS+ QE 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1352,1353,
&end
#
# 17 LEU QB 87 LYS+ QE 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=63.00, r4=63.50,
igr1= 221, 222,
igr2=1352,1353,
&end
#
# 17 LEU HA 87 LYS+ QE 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1352,1353,
&end
#
# 17 LEU QQD 87 LYS+ QD 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1349,1350,
&end
#
# 17 LEU HG 87 LYS+ QD 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1349,1350,
&end
#
# 17 LEU QB 87 LYS+ QD 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=63.00, r4=63.50,
igr1= 221, 222,
igr2=1349,1350,
&end
#
# 17 LEU HA 87 LYS+ QD 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1349,1350,
&end
#
# 17 LEU QQD 87 LYS+ QG 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1346,1347,
&end
#
# 17 LEU HG 87 LYS+ QG 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=1346,1347,
&end
#
# 17 LEU QB 87 LYS+ QG 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=63.00, r4=63.50,
igr1= 221, 222,
igr2=1346,1347,
&end
#
# 48 PHE HD 220 RU H6 3.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1,3609, r1= 2.50, r2= 3.00, r3=56.12, r4=56.62,
igr1= 736, 744,
&end
#
# 48 PHE HD 220 RU H6 3.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1,3609, r1= 2.50, r2= 3.00, r3=56.12, r4=56.62,
igr1= 736, 744,
&end
#
# 48 PHE HE 220 RU H5 3.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1,3611, r1= 2.50, r2= 3.00, r3=56.12, r4=56.62,
igr1= 738, 742,
&end
#
# 48 PHE HE 220 RU H5 3.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1,3611, r1= 2.50, r2= 3.00, r3=56.12, r4=56.62,
igr1= 738, 742,
&end
#
# 134 HIS HD2 205 LYS+ QE 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3209,3210,
&end
#
# 134 HIS HD2 205 LYS+ QD 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3206,3207,
&end
#
# 134 HIS HD2 205 LYS+ QG 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3203,3204,
&end
#
# 134 HIS HD2 205 LYS+ QB 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3200,3201,
&end
#
# 134 HIS HD2 205 LYS+ HA 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2100,3198, r1= 4.50, r2= 5.00, r3=50.00, r4=50.50, &end
#
# 134 HIS HE1 205 LYS+ QE 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3209,3210,
&end
#
# 134 HIS HE1 205 LYS+ QD 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3206,3207,
&end
#
# 134 HIS HE1 205 LYS+ QG 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3203,3204,
&end
#
# 134 HIS HE1 205 LYS+ QB 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr2=3200,3201,
&end
#
# 134 HIS HE1 205 LYS+ HA 5.0 50
&rst
ixpk= 0, nxpk= 0, iat=2097,3198, r1= 4.50, r2= 5.00, r3=50.00, r4=50.50, &end
#
# 134 HIS QB 205 LYS+ QE 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=63.00, r4=63.50,
igr1=2091,2092,
igr2=3209,3210,
&end
#
# 134 HIS QB 205 LYS+ QD 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=63.00, r4=63.50,
igr1=2091,2092,
igr2=3206,3207,
&end
#
# 134 HIS QB 205 LYS+ QG 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=63.00, r4=63.50,
igr1=2091,2092,
igr2=3203,3204,
&end
#
# 134 HIS QB 205 LYS+ QB 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=63.00, r4=63.50,
igr1=2091,2092,
igr2=3200,3201,
&end
#
# 134 HIS QB 205 LYS+ HA 5.0 50
&rst
ixpk= 0, nxpk= 0, iat= -1,3198, r1= 4.50, r2= 5.00, r3=56.12, r4=56.62,
igr1=2091,2092,
&end
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