NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
489870 |
2l14   |
17073 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 2 ASN QB 2 ASN QD2 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
rk2= 20.0, rk3= 20.0, ir6= 1, ialtd= 0,
igr1= 20, 21,
igr2= 25, 26,
&end
#
# 3 ARG H 3 ARG HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 37, 38,
&end
#
# 3 ARG H 3 ARG HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 37, 38,
&end
#
# 3 ARG HA 3 ARG HD- 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 40, 41,
&end
#
# 3 ARG HA 3 ARG HD+ 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 40, 41,
&end
#
# 3 ARG HA 3 ARG QG 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 37, 38,
&end
#
# 3 ARG HB- 4 SER H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 34, 35,
&end
#
# 3 ARG HB+ 4 SER H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 34, 35,
&end
#
# 3 ARG HG- 4 SER H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 37, 38,
&end
#
# 3 ARG HG+ 4 SER H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 37, 38,
&end
#
# 3 ARG QB 3 ARG QD 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 34, 35,
igr2= 40, 41,
&end
#
# 4 SER H 5 ILE H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 54, 65, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 4 SER HA 5 ILE H 3.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 56, 65, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 4 SER HA 5 ILE HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 56, 67, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 SER HA 5 ILE QD1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 78, 79, 80,
&end
#
# 4 SER HA 5 ILE QG1 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 75, 76,
&end
#
# 4 SER HA 5 ILE QG2 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 71, 72, 73,
&end
#
# 4 SER HB- 5 ILE H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 58, 59,
&end
#
# 4 SER HB- 5 ILE QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 58, 59,
igr2= 71, 72, 73,
&end
#
# 4 SER HB+ 5 ILE H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 58, 59,
&end
#
# 4 SER HB+ 5 ILE QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 58, 59,
igr2= 71, 72, 73,
&end
#
# 4 SER QB 5 ILE QG1 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 58, 59,
igr2= 75, 76,
&end
#
# 5 ILE H 5 ILE HG1- 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 75, 76,
&end
#
# 5 ILE H 5 ILE HG1+ 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 75, 76,
&end
#
# 5 ILE H 5 ILE QG2 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 71, 72, 73,
&end
#
# 5 ILE H 6 SER H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 65, 84, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 5 ILE HA 38 GLN HE2- 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 601, 602,
&end
#
# 5 ILE HA 38 GLN HE2+ 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 601, 602,
&end
#
# 5 ILE HA 5 ILE HB 3.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, 69, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 5 ILE HA 5 ILE HG1- 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 75, 76,
&end
#
# 5 ILE HA 5 ILE HG1+ 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 75, 76,
&end
#
# 5 ILE HA 5 ILE QD1 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 78, 79, 80,
&end
#
# 5 ILE HA 5 ILE QG2 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 71, 72, 73,
&end
#
# 5 ILE HA 6 SER H 3.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67, 84, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 5 ILE HB 5 ILE QD1 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 78, 79, 80,
&end
#
# 5 ILE HB 6 SER H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 69, 84, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 5 ILE HB 9 ALA QB 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 124, 125, 126,
&end
#
# 5 ILE QD1 38 GLN QG 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 78, 79, 80,
igr2= 596, 597,
&end
#
# 5 ILE QG1 38 GLN QB 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 75, 76,
igr2= 593, 594,
&end
#
# 5 ILE QG1 38 GLN QE2 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 75, 76,
igr2= 601, 602,
&end
#
# 5 ILE QG1 38 GLN QG 6.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 75, 76,
igr2= 596, 597,
&end
#
# 5 ILE QG1 6 SER H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 75, 76,
&end
#
# 5 ILE QG2 36 ASN HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 71, 72, 73,
&end
#
# 5 ILE QG2 36 ASN HB- 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 71, 72, 73,
igr2= 565, 566,
&end
#
# 5 ILE QG2 36 ASN HB+ 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 71, 72, 73,
igr2= 565, 566,
&end
#
# 5 ILE QG2 38 GLN H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 71, 72, 73,
&end
#
# 5 ILE QG2 38 GLN HA 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 71, 72, 73,
&end
#
# 5 ILE QG2 38 GLN HE2- 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 71, 72, 73,
igr2= 601, 602,
&end
#
# 5 ILE QG2 38 GLN HE2+ 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 71, 72, 73,
igr2= 601, 602,
&end
#
# 5 ILE QG2 38 GLN QB 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 71, 72, 73,
igr2= 593, 594,
&end
#
# 5 ILE QG2 38 GLN QG 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 71, 72, 73,
igr2= 596, 597,
&end
#
# 5 ILE QG2 39 LEU H 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 71, 72, 73,
&end
#
# 5 ILE QG2 5 ILE HG1- 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 71, 72, 73,
igr2= 75, 76,
&end
#
# 5 ILE QG2 5 ILE HG1+ 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 71, 72, 73,
igr2= 75, 76,
&end
#
# 5 ILE QG2 6 SER H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 71, 72, 73,
&end
#
# 6 SER H 6 SER HB- 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 88, 89,
&end
#
# 6 SER H 6 SER HB+ 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 88, 89,
&end
#
# 6 SER H 9 ALA H 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 84, 120, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 6 SER H 9 ALA QB 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 124, 125, 126,
&end
#
# 6 SER HA 7 PRO HD- 3.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 96, 97,
&end
#
# 6 SER HA 7 PRO HD+ 3.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 96, 97,
&end
#
# 6 SER HA 7 PRO QB 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 102, 103,
&end
#
# 6 SER HA 7 PRO QG 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 99, 100,
&end
#
# 6 SER HB- 9 ALA QB 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 88, 89,
igr2= 124, 125, 126,
&end
#
# 6 SER HB+ 9 ALA QB 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 88, 89,
igr2= 124, 125, 126,
&end
#
# 6 SER QB 10 LEU QQD 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 88, 89,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 6 SER QB 7 PRO QG 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 88, 89,
igr2= 99, 100,
&end
#
# 6 SER QB 8 SER H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 88, 89,
&end
#
# 6 SER QB 9 ALA H 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 88, 89,
&end
#
# 7 PRO HA 10 LEU H 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 105, 130, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 7 PRO HA 10 LEU HG 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 105, 137, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 7 PRO HA 10 LEU QB 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 134, 135,
&end
#
# 7 PRO HA 10 LEU QQD 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 7 PRO HA 11 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 161, 162,
&end
#
# 7 PRO HA 11 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 161, 162,
&end
#
# 7 PRO QB 10 LEU QQD 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 102, 103,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 7 PRO QB 11 GLN H 5.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 102, 103,
&end
#
# 7 PRO QB 11 GLN QE2 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 102, 103,
igr2= 161, 162,
&end
#
# 7 PRO QB 8 SER H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 102, 103,
&end
#
# 7 PRO QD 10 LEU QQD 7.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 96, 97,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 7 PRO QD 8 SER H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 96, 97,
&end
#
# 7 PRO QG 8 SER H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 99, 100,
&end
#
# 7 PRO QG 8 SER QB 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 99, 100,
igr2= 113, 114,
&end
#
# 8 SER H 9 ALA H 3.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 109, 120, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 8 SER H 9 ALA QB 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 124, 125, 126,
&end
#
# 8 SER HA 10 LEU QB 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 134, 135,
&end
#
# 8 SER HA 10 LEU QQD 6.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 8 SER HA 11 GLN H 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, 149, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 8 SER HA 11 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 161, 162,
&end
#
# 8 SER HA 11 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 161, 162,
&end
#
# 8 SER HA 11 GLN HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 156, 157,
&end
#
# 8 SER HA 11 GLN HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 156, 157,
&end
#
# 8 SER HA 11 GLN QB 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 153, 154,
&end
#
# 8 SER HA 12 ASP H 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, 166, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 8 SER HA 8 SER HB2 2.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, 113, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 8 SER HA 8 SER HB3 2.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, 114, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 8 SER HA 9 ALA QB 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 124, 125, 126,
&end
#
# 8 SER QB 11 GLN QB 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 113, 114,
igr2= 153, 154,
&end
#
# 9 ALA H 10 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 134, 135,
&end
#
# 9 ALA H 10 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 9 ALA H 9 ALA QB 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 124, 125, 126,
&end
#
# 9 ALA HA 12 ASP H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 122, 166, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 9 ALA HA 12 ASP HB- 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 170, 171,
&end
#
# 9 ALA HA 12 ASP HB+ 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 170, 171,
&end
#
# 9 ALA HA 13 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 122, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA HA 32 ILE QG2 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 496, 497, 498,
&end
#
# 9 ALA QB 10 LEU H 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 124, 125, 126,
&end
#
# 9 ALA QB 10 LEU QB 7.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 124, 125, 126,
igr2= 134, 135,
&end
#
# 9 ALA QB 10 LEU QQD 6.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 124, 125, 126,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 9 ALA QB 12 ASP HB- 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 124, 125, 126,
igr2= 170, 171,
&end
#
# 9 ALA QB 12 ASP HB+ 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 124, 125, 126,
igr2= 170, 171,
&end
#
# 9 ALA QB 32 ILE HB 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 124, 125, 126,
&end
#
# 9 ALA QB 32 ILE QG2 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 124, 125, 126,
igr2= 496, 497, 498,
&end
#
# 9 ALA QB 36 ASN QB 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 124, 125, 126,
igr2= 565, 566,
&end
#
# 9 ALA QB 36 ASN QD2 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 124, 125, 126,
igr2= 570, 571,
&end
#
# 9 ALA QB 39 LEU QQD 6.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 124, 125, 126,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 10 LEU H 10 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 130, 137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU H 10 LEU QB 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 134, 135,
&end
#
# 10 LEU H 10 LEU QQD 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 10 LEU HA 10 LEU HG 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 132, 137, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 10 LEU HA 10 LEU QQD 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 10 LEU HA 13 LEU QB 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 182, 183,
&end
#
# 10 LEU HA 13 LEU QQD 6.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 187, 188, 189, 191, 192, 193,
&end
#
# 10 LEU HA 14 LEU QQD 7.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 206, 207, 208, 210, 211, 212,
&end
#
# 10 LEU HB- 11 GLN H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 134, 135,
&end
#
# 10 LEU HB- 11 GLN QE2 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 134, 135,
igr2= 161, 162,
&end
#
# 10 LEU HB+ 11 GLN H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 134, 135,
&end
#
# 10 LEU HB+ 11 GLN QE2 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 134, 135,
igr2= 161, 162,
&end
#
# 10 LEU QB 11 GLN H 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 134, 135,
&end
#
# 10 LEU QB 11 GLN HA 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 134, 135,
&end
#
# 10 LEU QB 12 ASP H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 134, 135,
&end
#
# 10 LEU QQD 11 GLN H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 139, 140, 141, 143, 144, 145,
&end
#
# 10 LEU QQD 11 GLN QE2 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 139, 140, 141, 143, 144, 145,
igr2= 161, 162,
&end
#
# 10 LEU QQD 11 GLN QG 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 139, 140, 141, 143, 144, 145,
igr2= 156, 157,
&end
#
# 11 GLN H 11 GLN QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 153, 154,
&end
#
# 11 GLN H 11 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 161, 162,
&end
#
# 11 GLN H 11 GLN QG 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 156, 157,
&end
#
# 11 GLN H 12 ASP H 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, 166, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 11 GLN H 12 ASP HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 GLN H 12 ASP HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 170, 171,
&end
#
# 11 GLN H 12 ASP HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 170, 171,
&end
#
# 11 GLN H 13 LEU H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 149, 178, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 11 GLN HA 11 GLN QB 2.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 153, 154,
&end
#
# 11 GLN HA 11 GLN QE2 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 161, 162,
&end
#
# 11 GLN HA 11 GLN QG 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 156, 157,
&end
#
# 11 GLN HA 14 LEU HG 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151, 204, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 11 GLN HA 14 LEU QB 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 201, 202,
&end
#
# 11 GLN HA 14 LEU QQD 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 206, 207, 208, 210, 211, 212,
&end
#
# 11 GLN HA 15 ARG H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151, 216, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 11 GLN QB 11 GLN QE2 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 153, 154,
igr2= 161, 162,
&end
#
# 11 GLN QB 12 ASP H 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 153, 154,
&end
#
# 11 GLN QB 15 ARG H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 153, 154,
&end
#
# 11 GLN QG 11 GLN QE2 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 156, 157,
igr2= 161, 162,
&end
#
# 11 GLN QG 12 ASP H 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 156, 157,
&end
#
# 11 GLN QG 14 LEU QQD 7.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 156, 157,
igr2= 206, 207, 208, 210, 211, 212,
&end
#
# 12 ASP H 12 ASP HB- 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 170, 171,
&end
#
# 12 ASP H 12 ASP HB+ 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 170, 171,
&end
#
# 12 ASP H 13 LEU H 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 166, 178, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 12 ASP HA 13 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, 180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ASP HA 15 ARG H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, 216, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 12 ASP HA 15 ARG HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ASP HA 15 ARG HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 223, 224,
&end
#
# 12 ASP HA 15 ARG HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 223, 224,
&end
#
# 12 ASP HA 15 ARG QB 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 220, 221,
&end
#
# 12 ASP HA 15 ARG QD 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 226, 227,
&end
#
# 12 ASP HA 16 THR H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ASP HA 32 ILE QD1 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 503, 504, 505,
&end
#
# 12 ASP HB- 13 LEU H 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 170, 171,
&end
#
# 12 ASP HB+ 13 LEU H 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 170, 171,
&end
#
# 12 ASP QB 32 ILE QD1 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 170, 171,
igr2= 503, 504, 505,
&end
#
# 12 ASP QB 32 ILE QG2 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 170, 171,
igr2= 496, 497, 498,
&end
#
# 13 LEU H 13 LEU QB 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 182, 183,
&end
#
# 13 LEU H 14 LEU H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 178, 197, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 13 LEU H 14 LEU QB 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 201, 202,
&end
#
# 13 LEU H 15 ARG H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 178, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU H 16 THR HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 178, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU H 32 ILE QG2 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 496, 497, 498,
&end
#
# 13 LEU HA 13 LEU QQD 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU HA 16 THR HB 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 180, 244, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 13 LEU HA 29 VAL QQG 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 13 LEU HA 29 VAL QQG 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 13 LEU HA 32 ILE HB 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 180, 494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 13 LEU HA 32 ILE QD1 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 503, 504, 505,
&end
#
# 13 LEU HG 14 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 185, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU HG 16 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 246, 247, 248,
&end
#
# 13 LEU HG 29 VAL QQG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 13 LEU HG 29 VAL QQG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 13 LEU HG 33 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 185, 516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU QB 14 LEU H 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 182, 183,
&end
#
# 13 LEU QB 14 LEU QQD 7.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 182, 183,
igr2= 206, 207, 208, 210, 211, 212,
&end
#
# 13 LEU QB 29 VAL QQG 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 182, 183,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 13 LEU QB 32 ILE QD1 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 182, 183,
igr2= 503, 504, 505,
&end
#
# 13 LEU QQD 16 THR HB 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 16 THR QG2 8.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr1= 187, 188, 189, 191, 192, 193,
igr2= 246, 247, 248,
&end
#
# 13 LEU QQD 17 LEU H 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 17 LEU QB 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 187, 188, 189, 191, 192, 193,
igr2= 258, 259,
&end
#
# 13 LEU QQD 18 LYS H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 29 VAL QQG 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 187, 188, 189, 191, 192, 193,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 13 LEU QQD 33 LEU QQD 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 187, 188, 189, 191, 192, 193,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 13 LEU QQD 33 LEU QQD 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 187, 188, 189, 191, 192, 193,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 14 LEU H 14 LEU HB- 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 201, 202,
&end
#
# 14 LEU H 14 LEU HB+ 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 201, 202,
&end
#
# 14 LEU H 14 LEU HG 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 14 LEU H 14 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 206, 207, 208, 210, 211, 212,
&end
#
# 14 LEU H 15 ARG H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 197, 216, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 14 LEU H 16 THR H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 197, 240, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 14 LEU HA 14 LEU HG 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 14 LEU HA 14 LEU QQD 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 206, 207, 208, 210, 211, 212,
&end
#
# 14 LEU HA 17 LEU HB- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 258, 259,
&end
#
# 14 LEU HA 17 LEU HB+ 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 258, 259,
&end
#
# 14 LEU HA 17 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LEU HA 17 LEU QQD 6.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 14 LEU HA 17 LEU QQD 6.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 14 LEU HB- 15 ARG H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 201, 202,
&end
#
# 14 LEU HB+ 15 ARG H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 201, 202,
&end
#
# 14 LEU QB 14 LEU QQD 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 201, 202,
igr2= 206, 207, 208, 210, 211, 212,
&end
#
# 14 LEU QB 16 THR H 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 201, 202,
&end
#
# 15 ARG H 15 ARG QB 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 220, 221,
&end
#
# 15 ARG H 15 ARG QD 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 226, 227,
&end
#
# 15 ARG H 15 ARG QG 3.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 223, 224,
&end
#
# 15 ARG H 16 THR H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, 240, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 15 ARG H 16 THR HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ARG H 17 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ARG HA 15 ARG HD- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 226, 227,
&end
#
# 15 ARG HA 15 ARG HD+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 226, 227,
&end
#
# 15 ARG HA 15 ARG HG- 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 223, 224,
&end
#
# 15 ARG HA 15 ARG HG+ 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 223, 224,
&end
#
# 15 ARG HA 18 LYS QB 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 277, 278,
&end
#
# 15 ARG HG- 16 THR HA 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 223, 224,
&end
#
# 15 ARG HG- 16 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 223, 224,
igr2= 246, 247, 248,
&end
#
# 15 ARG HG+ 16 THR HA 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 223, 224,
&end
#
# 15 ARG HG+ 16 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 223, 224,
igr2= 246, 247, 248,
&end
#
# 15 ARG QB 15 ARG QD 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 220, 221,
igr2= 226, 227,
&end
#
# 15 ARG QB 16 THR H 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 220, 221,
&end
#
# 15 ARG QG 16 THR H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 223, 224,
&end
#
# 15 ARG QG 32 ILE QD1 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 223, 224,
igr2= 503, 504, 505,
&end
#
# 16 THR H 16 THR HB 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 16 THR H 16 THR QG2 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 246, 247, 248,
&end
#
# 16 THR H 17 LEU H 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 16 THR H 17 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 258, 259,
&end
#
# 16 THR H 18 LYS H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 273, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 16 THR H 32 ILE QD1 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 503, 504, 505,
&end
#
# 16 THR HA 16 THR QG2 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 246, 247, 248,
&end
#
# 16 THR HA 32 ILE QD1 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 503, 504, 505,
&end
#
# 16 THR HB 17 LEU H 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 16 THR HB 17 LEU QB 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 258, 259,
&end
#
# 16 THR HB 28 GLN QB 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 428, 429,
&end
#
# 16 THR HB 29 VAL QQG 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 16 THR HB 32 ILE QD1 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 503, 504, 505,
&end
#
# 16 THR QG2 17 LEU QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 246, 247, 248,
igr2= 258, 259,
&end
#
# 16 THR QG2 17 LEU QQD 8.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 246, 247, 248,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 16 THR QG2 19 SER QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 246, 247, 248,
igr2= 299, 300,
&end
#
# 16 THR QG2 25 GLN HA 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 246, 247, 248,
&end
#
# 16 THR QG2 25 GLN QG 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 246, 247, 248,
igr2= 380, 381,
&end
#
# 16 THR QG2 28 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 246, 247, 248,
&end
#
# 16 THR QG2 28 GLN QB 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 246, 247, 248,
igr2= 428, 429,
&end
#
# 16 THR QG2 28 GLN QE2 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 246, 247, 248,
igr2= 436, 437,
&end
#
# 16 THR QG2 28 GLN QG 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 246, 247, 248,
igr2= 431, 432,
&end
#
# 16 THR QG2 29 VAL H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 246, 247, 248,
&end
#
# 16 THR QG2 29 VAL HA 5.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 246, 247, 248,
&end
#
# 16 THR QG2 29 VAL QQG 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 246, 247, 248,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 16 THR QG2 32 ILE HB 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 246, 247, 248,
&end
#
# 16 THR QG2 32 ILE QD1 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 246, 247, 248,
igr2= 503, 504, 505,
&end
#
# 17 LEU H 17 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU H 18 LYS H 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, 273, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 17 LEU H 18 LYS QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 277, 278,
&end
#
# 17 LEU HA 17 LEU QQD 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU HA 17 LEU QQD 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU HA 29 VAL QQG 6.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 17 LEU QB 17 LEU QQD 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 258, 259,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU QB 18 LYS H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 258, 259,
&end
#
# 17 LEU QB 18 LYS HA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 258, 259,
&end
#
# 17 LEU QB 29 VAL QQG 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 258, 259,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 17 LEU QQD 18 LYS H 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU QQD 18 LYS HA 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 18 LYS H 18 LYS HB2 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 18 LYS H 18 LYS HB3 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 18 LYS H 18 LYS QG 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 280, 281,
&end
#
# 18 LYS HA 18 LYS HD- 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 283, 284,
&end
#
# 18 LYS HA 18 LYS HD+ 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 283, 284,
&end
#
# 18 LYS HA 18 LYS QE 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 286, 287,
&end
#
# 18 LYS HA 18 LYS QG 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 280, 281,
&end
#
# 18 LYS HA 19 SER QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 299, 300,
&end
#
# 18 LYS QB 18 LYS QD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 277, 278,
igr2= 283, 284,
&end
#
# 18 LYS QB 18 LYS QE 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 277, 278,
igr2= 286, 287,
&end
#
# 18 LYS QG 19 SER H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 280, 281,
&end
#
# 19 SER H 19 SER QB 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 299, 300,
&end
#
# 19 SER H 20 PRO HD- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 307, 308,
&end
#
# 19 SER H 20 PRO HD+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 307, 308,
&end
#
# 19 SER HA 20 PRO HD- 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 307, 308,
&end
#
# 19 SER HA 20 PRO HD+ 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 307, 308,
&end
#
# 19 SER HA 20 PRO HG- 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 310, 311,
&end
#
# 19 SER HA 20 PRO HG+ 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 310, 311,
&end
#
# 19 SER HB- 25 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 299, 300,
igr2= 385, 386,
&end
#
# 19 SER HB- 25 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 299, 300,
igr2= 385, 386,
&end
#
# 19 SER HB+ 25 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 299, 300,
igr2= 385, 386,
&end
#
# 19 SER HB+ 25 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 299, 300,
igr2= 385, 386,
&end
#
# 19 SER QB 20 PRO QD 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 299, 300,
igr2= 307, 308,
&end
#
# 19 SER QB 20 PRO QG 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 299, 300,
igr2= 310, 311,
&end
#
# 19 SER QB 25 GLN QB 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 299, 300,
igr2= 377, 378,
&end
#
# 19 SER QB 25 GLN QG 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 299, 300,
igr2= 380, 381,
&end
#
# 20 PRO HA 21 SER H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 20 PRO HG- 21 SER H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 310, 311,
&end
#
# 20 PRO HG+ 21 SER H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 310, 311,
&end
#
# 20 PRO QB 21 SER H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 313, 314,
&end
#
# 21 SER H 21 SER QB 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 324, 325,
&end
#
# 21 SER HA 22 SER H 3.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 322, 331, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 21 SER HA 22 SER HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 322, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 SER QB 22 SER H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 324, 325,
&end
#
# 22 SER H 22 SER QB 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 335, 336,
&end
#
# 22 SER H 24 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 331, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 SER HA 23 PRO HG- 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 346, 347,
&end
#
# 22 SER HA 23 PRO HG+ 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 346, 347,
&end
#
# 22 SER HA 23 PRO QB 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 349, 350,
&end
#
# 22 SER HA 23 PRO QD 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 343, 344,
&end
#
# 22 SER HA 24 GLN H 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 333, 356, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 SER HA 24 GLN QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 360, 361,
&end
#
# 22 SER QB 23 PRO QD 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 335, 336,
igr2= 343, 344,
&end
#
# 22 SER QB 23 PRO QG 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 335, 336,
igr2= 346, 347,
&end
#
# 22 SER QB 24 GLN H 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 335, 336,
&end
#
# 22 SER QB 24 GLN QB 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 335, 336,
igr2= 360, 361,
&end
#
# 22 SER QB 24 GLN QE2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 335, 336,
igr2= 368, 369,
&end
#
# 22 SER QB 24 GLN QG 5.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 335, 336,
igr2= 363, 364,
&end
#
# 23 PRO HA 24 GLN HA 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, 358, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 23 PRO HA 24 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 368, 369,
&end
#
# 23 PRO HA 25 GLN H 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, 373, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 23 PRO HA 26 GLN H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 23 PRO HA 26 GLN HE2- 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 402, 403,
&end
#
# 23 PRO HA 26 GLN HE2+ 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 402, 403,
&end
#
# 23 PRO HA 26 GLN QB 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 394, 395,
&end
#
# 23 PRO HA 26 GLN QG 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 397, 398,
&end
#
# 23 PRO HA 27 GLN H 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 352, 407, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 23 PRO QB 24 GLN H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 349, 350,
&end
#
# 23 PRO QB 24 GLN QE2 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 349, 350,
igr2= 368, 369,
&end
#
# 23 PRO QD 24 GLN H 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 343, 344,
&end
#
# 23 PRO QD 24 GLN QE2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 343, 344,
igr2= 368, 369,
&end
#
# 23 PRO QD 25 GLN H 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 343, 344,
&end
#
# 23 PRO QG 24 GLN H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 346, 347,
&end
#
# 23 PRO QG 24 GLN QE2 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 346, 347,
igr2= 368, 369,
&end
#
# 24 GLN H 24 GLN QB 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 360, 361,
&end
#
# 24 GLN H 24 GLN QE2 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 368, 369,
&end
#
# 24 GLN H 24 GLN QG 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 363, 364,
&end
#
# 24 GLN H 25 GLN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLN HA 24 GLN HE2- 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 368, 369,
&end
#
# 24 GLN HA 24 GLN HE2+ 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 368, 369,
&end
#
# 24 GLN HA 24 GLN QG 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 363, 364,
&end
#
# 24 GLN HA 27 GLN H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, 407, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 24 GLN QB 25 GLN H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 360, 361,
&end
#
# 25 GLN H 26 GLN H 3.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 373, 390, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 25 GLN HA 25 GLN HG- 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 380, 381,
&end
#
# 25 GLN HA 25 GLN HG+ 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 380, 381,
&end
#
# 25 GLN HA 25 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 385, 386,
&end
#
# 25 GLN HA 28 GLN QG 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 431, 432,
&end
#
# 25 GLN HG- 26 GLN H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 380, 381,
&end
#
# 25 GLN HG+ 26 GLN H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 380, 381,
&end
#
# 25 GLN QG 29 VAL QQG 7.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 380, 381,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 26 GLN H 26 GLN QB 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 394, 395,
&end
#
# 26 GLN H 26 GLN QG 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 397, 398,
&end
#
# 26 GLN H 27 GLN H 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, 407, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 26 GLN H 27 GLN HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, 409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HA 26 GLN HG- 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 397, 398,
&end
#
# 26 GLN HA 26 GLN HG+ 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 397, 398,
&end
#
# 26 GLN HA 26 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 402, 403,
&end
#
# 26 GLN HA 28 GLN H 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, 424, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 26 GLN HA 29 VAL H 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, 441, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 26 GLN HA 29 VAL HB 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, 445, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 GLN HA 29 VAL QQG 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 26 GLN HA 29 VAL QQG 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 26 GLN HA 30 LEU QQD 7.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 26 GLN QB 26 GLN QE2 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 394, 395,
igr2= 402, 403,
&end
#
# 26 GLN QB 27 GLN H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 394, 395,
&end
#
# 26 GLN QB 30 LEU QQD 7.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 394, 395,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 26 GLN QE2 30 LEU QQD 7.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr1= 402, 403,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 26 GLN QG 26 GLN QE2 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 397, 398,
igr2= 402, 403,
&end
#
# 26 GLN QG 27 GLN H 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 397, 398,
&end
#
# 26 GLN QG 29 VAL HB 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 397, 398,
&end
#
# 26 GLN QG 30 LEU QQD 7.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 397, 398,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 27 GLN H 27 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 419, 420,
&end
#
# 27 GLN HA 27 GLN HE2- 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 419, 420,
&end
#
# 27 GLN HA 27 GLN HE2+ 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 419, 420,
&end
#
# 27 GLN HA 27 GLN QB 2.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,
igr2= 411, 412,
&end
#
# 27 GLN HA 27 GLN QG 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 414, 415,
&end
#
# 27 GLN HA 28 GLN HA 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, 426, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 27 GLN HA 30 LEU H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, 457, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 27 GLN HA 30 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLN HA 30 LEU QB 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 461, 462,
&end
#
# 27 GLN HA 30 LEU QQD 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 27 GLN HE2- 30 LEU HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 419, 420,
igr2= 461, 462,
&end
#
# 27 GLN HE2- 30 LEU HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 419, 420,
igr2= 461, 462,
&end
#
# 27 GLN HE2- 30 LEU QQD 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 419, 420,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 27 GLN HE2+ 30 LEU HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 419, 420,
igr2= 461, 462,
&end
#
# 27 GLN HE2+ 30 LEU HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 419, 420,
igr2= 461, 462,
&end
#
# 27 GLN HE2+ 30 LEU QQD 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 419, 420,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 27 GLN QB 27 GLN QE2 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 411, 412,
igr2= 419, 420,
&end
#
# 27 GLN QB 28 GLN H 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 411, 412,
&end
#
# 27 GLN QB 31 ASN QD2 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 411, 412,
igr2= 485, 486,
&end
#
# 27 GLN QE2 28 GLN H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 419, 420,
&end
#
# 27 GLN QE2 28 GLN HA 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 419, 420,
&end
#
# 27 GLN QE2 30 LEU H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 419, 420,
&end
#
# 27 GLN QE2 30 LEU QB 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 419, 420,
igr2= 461, 462,
&end
#
# 27 GLN QE2 30 LEU QQD 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 419, 420,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 27 GLN QE2 31 ASN H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 419, 420,
&end
#
# 27 GLN QE2 31 ASN HA 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 419, 420,
&end
#
# 27 GLN QG 27 GLN QE2 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 414, 415,
igr2= 419, 420,
&end
#
# 27 GLN QG 28 GLN H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 414, 415,
&end
#
# 27 GLN QG 28 GLN HA 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 414, 415,
&end
#
# 27 GLN QG 30 LEU H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 414, 415,
&end
#
# 27 GLN QG 30 LEU QB 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 414, 415,
igr2= 461, 462,
&end
#
# 27 GLN QG 30 LEU QQD 8.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 414, 415,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 27 GLN QG 31 ASN H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 414, 415,
&end
#
# 27 GLN QG 31 ASN HA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 414, 415,
&end
#
# 27 GLN QG 31 ASN QB 6.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 414, 415,
igr2= 480, 481,
&end
#
# 27 GLN QG 31 ASN QD2 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 414, 415,
igr2= 485, 486,
&end
#
# 28 GLN H 28 GLN QB 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 428, 429,
&end
#
# 28 GLN H 28 GLN QE2 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 436, 437,
&end
#
# 28 GLN H 28 GLN QG 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 431, 432,
&end
#
# 28 GLN H 31 ASN HD2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 485, 486,
&end
#
# 28 GLN H 31 ASN HD2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 485, 486,
&end
#
# 28 GLN HA 28 GLN QE2 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 436, 437,
&end
#
# 28 GLN HA 28 GLN QG 3.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 431, 432,
&end
#
# 28 GLN HA 31 ASN H 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 426, 476, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 28 GLN HA 31 ASN QB 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 480, 481,
&end
#
# 28 GLN HA 31 ASN QD2 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 485, 486,
&end
#
# 28 GLN HA 32 ILE QD1 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 503, 504, 505,
&end
#
# 28 GLN HE2- 32 ILE H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 436, 437,
&end
#
# 28 GLN HE2- 32 ILE QD1 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 436, 437,
igr2= 503, 504, 505,
&end
#
# 28 GLN HE2+ 32 ILE H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 436, 437,
&end
#
# 28 GLN HE2+ 32 ILE QD1 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 436, 437,
igr2= 503, 504, 505,
&end
#
# 28 GLN HG- 28 GLN QE2 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 431, 432,
igr2= 436, 437,
&end
#
# 28 GLN HG- 32 ILE QD1 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 431, 432,
igr2= 503, 504, 505,
&end
#
# 28 GLN HG+ 28 GLN QE2 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 431, 432,
igr2= 436, 437,
&end
#
# 28 GLN HG+ 32 ILE QD1 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 431, 432,
igr2= 503, 504, 505,
&end
#
# 28 GLN QB 28 GLN QE2 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 428, 429,
igr2= 436, 437,
&end
#
# 28 GLN QB 32 ILE QD1 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 428, 429,
igr2= 503, 504, 505,
&end
#
# 28 GLN QE2 32 ILE QG1 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 436, 437,
igr2= 500, 501,
&end
#
# 28 GLN QG 28 GLN QE2 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 431, 432,
igr2= 436, 437,
&end
#
# 28 GLN QG 32 ILE QD1 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 431, 432,
igr2= 503, 504, 505,
&end
#
# 29 VAL H 29 VAL HB 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 29 VAL H 29 VAL QQG 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL H 29 VAL QQG 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL H 30 LEU H 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441, 457, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 29 VAL H 31 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 VAL H 32 ILE QD1 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 503, 504, 505,
&end
#
# 29 VAL HA 29 VAL QQG 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL HA 29 VAL QQG 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL HA 32 ILE H 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443, 490, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 29 VAL HA 32 ILE HB 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443, 494, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 29 VAL HA 32 ILE QD1 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 503, 504, 505,
&end
#
# 29 VAL HA 32 ILE QG2 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 496, 497, 498,
&end
#
# 29 VAL HA 33 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 VAL HB 30 LEU H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 445, 457, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 29 VAL HB 30 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 29 VAL HB 31 ASN H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 445, 476, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 29 VAL QQG 32 ILE HB 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 32 ILE HB 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 30 LEU H 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 30 LEU HA 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 30 LEU HG 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 33 LEU H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 33 LEU HA 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 33 LEU HG 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 447, 448, 449, 451, 452, 453,
&end
#
# 29 VAL QQG 33 LEU QB 7.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 447, 448, 449, 451, 452, 453,
igr2= 513, 514,
&end
#
# 29 VAL QQG 33 LEU QQD 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 447, 448, 449, 451, 452, 453,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 30 LEU H 30 LEU QB 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 461, 462,
&end
#
# 30 LEU H 30 LEU QQD 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 30 LEU H 31 ASN H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 457, 476, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 30 LEU H 33 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 513, 514,
&end
#
# 30 LEU HA 30 LEU HG 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 30 LEU HA 30 LEU QQD 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 466, 467, 468, 470, 471, 472,
&end
#
# 30 LEU HA 33 LEU QB 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 513, 514,
&end
#
# 30 LEU HA 33 LEU QQD 6.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 30 LEU HA 40 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 636, 637, 638,
&end
#
# 30 LEU HB- 31 ASN H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 461, 462,
&end
#
# 30 LEU HB+ 31 ASN H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 461, 462,
&end
#
# 30 LEU QB 31 ASN H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 461, 462,
&end
#
# 30 LEU QQD 33 LEU QB 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 466, 467, 468, 470, 471, 472,
igr2= 513, 514,
&end
#
# 30 LEU QQD 33 LEU QQD 7.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 466, 467, 468, 470, 471, 472,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 30 LEU QQD 34 LYS H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 466, 467, 468, 470, 471, 472,
&end
#
# 30 LEU QQD 34 LYS QG 6.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 466, 467, 468, 470, 471, 472,
igr2= 535, 536,
&end
#
# 31 ASN H 31 ASN HB- 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 480, 481,
&end
#
# 31 ASN H 31 ASN HB+ 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 480, 481,
&end
#
# 31 ASN H 31 ASN HD2- 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 485, 486,
&end
#
# 31 ASN H 31 ASN HD2+ 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 485, 486,
&end
#
# 31 ASN H 32 ILE H 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, 490, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 31 ASN H 32 ILE HB 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, 494, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 31 ASN H 33 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 513, 514,
&end
#
# 31 ASN H 34 LYS QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 532, 533,
&end
#
# 31 ASN HA 31 ASN QD2 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 485, 486,
&end
#
# 31 ASN HA 34 LYS H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 478, 528, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 31 ASN HA 34 LYS QB 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 532, 533,
&end
#
# 31 ASN HA 34 LYS QG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 535, 536,
&end
#
# 31 ASN HB- 31 ASN HD2+ 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 480, 481,
igr2= 485, 486,
&end
#
# 31 ASN HB- 32 ILE H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 480, 481,
&end
#
# 31 ASN HB+ 31 ASN HD2- 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 480, 481,
igr2= 485, 486,
&end
#
# 31 ASN HB+ 31 ASN HD2+ 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 480, 481,
igr2= 485, 486,
&end
#
# 31 ASN HB+ 32 ILE H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 480, 481,
&end
#
# 31 ASN QB 31 ASN QD2 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 480, 481,
igr2= 485, 486,
&end
#
# 31 ASN QB 32 ILE QG1 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 480, 481,
igr2= 500, 501,
&end
#
# 31 ASN QD2 32 ILE H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 485, 486,
&end
#
# 32 ILE H 32 ILE HB 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 490, 494, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 32 ILE H 32 ILE HG1- 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 500, 501,
&end
#
# 32 ILE H 32 ILE HG1+ 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 500, 501,
&end
#
# 32 ILE H 33 LEU H 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 490, 509, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 32 ILE H 35 SER H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 490, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ILE HA 32 ILE QD1 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 503, 504, 505,
&end
#
# 32 ILE HA 32 ILE QG1 3.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 500, 501,
&end
#
# 32 ILE HA 32 ILE QG2 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 496, 497, 498,
&end
#
# 32 ILE HA 35 SER H 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 492, 550, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 32 ILE HA 35 SER QB 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 554, 555,
&end
#
# 32 ILE HA 36 ASN QD2 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 570, 571,
&end
#
# 32 ILE HB 32 ILE QD1 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 503, 504, 505,
&end
#
# 32 ILE HB 33 LEU H 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 494, 509, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 32 ILE QG1 33 LEU H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 500, 501,
&end
#
# 32 ILE QG2 34 LYS H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 496, 497, 498,
&end
#
# 32 ILE QG2 35 SER QB 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 496, 497, 498,
igr2= 554, 555,
&end
#
# 32 ILE QG2 36 ASN HD2- 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 496, 497, 498,
igr2= 570, 571,
&end
#
# 32 ILE QG2 36 ASN HD2+ 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 496, 497, 498,
igr2= 570, 571,
&end
#
# 33 LEU H 33 LEU HB- 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 513, 514,
&end
#
# 33 LEU H 33 LEU HB+ 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 513, 514,
&end
#
# 33 LEU H 33 LEU HG 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, 516, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 33 LEU H 33 LEU QQD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 33 LEU H 33 LEU QQD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 33 LEU H 34 LYS H 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, 528, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 33 LEU H 34 LYS QG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 535, 536,
&end
#
# 33 LEU H 35 SER H 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 509, 550, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 33 LEU HA 33 LEU HG 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 511, 516, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 33 LEU HA 33 LEU QQD 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 33 LEU HA 33 LEU QQD 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 33 LEU HA 39 LEU QQD 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 33 LEU QB 33 LEU QQD 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 513, 514,
igr2= 518, 519, 520, 522, 523, 524,
&end
#
# 33 LEU QB 34 LYS H 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 513, 514,
&end
#
# 33 LEU QB 35 SER H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 513, 514,
&end
#
# 33 LEU QB 39 LEU QQD 8.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 513, 514,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 33 LEU QB 40 MET QE 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 513, 514,
igr2= 636, 637, 638,
&end
#
# 33 LEU QQD 40 MET QE 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 518, 519, 520, 522, 523, 524,
igr2= 636, 637, 638,
&end
#
# 33 LEU QQD 40 MET QE 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 518, 519, 520, 522, 523, 524,
igr2= 636, 637, 638,
&end
#
# 33 LEU QQD 39 LEU QQD 6.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 518, 519, 520, 522, 523, 524,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 33 LEU QQD 40 MET HA 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 518, 519, 520, 522, 523, 524,
&end
#
# 33 LEU QQD 40 MET QB 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 518, 519, 520, 522, 523, 524,
igr2= 629, 630,
&end
#
# 33 LEU QQD 40 MET QG 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 518, 519, 520, 522, 523, 524,
igr2= 632, 633,
&end
#
# 33 LEU QQD 40 MET QG 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 518, 519, 520, 522, 523, 524,
igr2= 632, 633,
&end
#
# 33 LEU QQD 43 PHE HD1 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 518, 519, 520, 522, 523, 524,
&end
#
# 34 LYS H 34 LYS QB 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 532, 533,
&end
#
# 34 LYS H 34 LYS QG 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 535, 536,
&end
#
# 34 LYS H 35 SER H 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 528, 550, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 34 LYS H 36 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 528, 561, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HA 34 LYS HD- 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 538, 539,
&end
#
# 34 LYS HA 34 LYS HD+ 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 538, 539,
&end
#
# 34 LYS HA 34 LYS HG- 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 535, 536,
&end
#
# 34 LYS HA 34 LYS HG+ 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 535, 536,
&end
#
# 34 LYS HA 34 LYS QE 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 541, 542,
&end
#
# 34 LYS HA 40 MET QE 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 636, 637, 638,
&end
#
# 34 LYS HB- 35 SER HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 532, 533,
&end
#
# 34 LYS HB+ 35 SER HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 532, 533,
&end
#
# 34 LYS HD- 40 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 538, 539,
igr2= 636, 637, 638,
&end
#
# 34 LYS HD+ 40 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 538, 539,
igr2= 636, 637, 638,
&end
#
# 34 LYS HE- 40 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 541, 542,
igr2= 636, 637, 638,
&end
#
# 34 LYS HE+ 40 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 541, 542,
igr2= 636, 637, 638,
&end
#
# 34 LYS QB 34 LYS QD 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 532, 533,
igr2= 538, 539,
&end
#
# 34 LYS QB 34 LYS QE 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 532, 533,
igr2= 541, 542,
&end
#
# 34 LYS QB 34 LYS QE 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 532, 533,
igr2= 541, 542,
&end
#
# 34 LYS QB 35 SER H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 532, 533,
&end
#
# 34 LYS QB 35 SER QB 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 532, 533,
igr2= 554, 555,
&end
#
# 34 LYS QG 34 LYS QE 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 535, 536,
igr2= 541, 542,
&end
#
# 34 LYS QG 35 SER H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 535, 536,
&end
#
# 34 LYS QG 40 MET QE 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 535, 536,
igr2= 636, 637, 638,
&end
#
# 35 SER H 35 SER QB 3.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 554, 555,
&end
#
# 35 SER H 36 ASN HA 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 550, 563, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 35 SER H 36 ASN QD2 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 570, 571,
&end
#
# 35 SER HB- 36 ASN H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 554, 555,
&end
#
# 35 SER HB+ 36 ASN H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 554, 555,
&end
#
# 35 SER QB 36 ASN QD2 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 554, 555,
igr2= 570, 571,
&end
#
# 36 ASN H 36 ASN HB- 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 565, 566,
&end
#
# 36 ASN H 36 ASN HB+ 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 565, 566,
&end
#
# 36 ASN H 36 ASN QD2 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 570, 571,
&end
#
# 36 ASN H 37 PRO HD- 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 576, 577,
&end
#
# 36 ASN H 37 PRO HD+ 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 576, 577,
&end
#
# 36 ASN H 37 PRO QG 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 579, 580,
&end
#
# 36 ASN HA 37 PRO HD- 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 576, 577,
&end
#
# 36 ASN HA 37 PRO HD+ 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 576, 577,
&end
#
# 36 ASN HA 37 PRO QB 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 582, 583,
&end
#
# 36 ASN HA 37 PRO QG 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 579, 580,
&end
#
# 36 ASN HA 38 GLN H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, 589, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 36 ASN HA 38 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 601, 602,
&end
#
# 36 ASN HA 38 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 601, 602,
&end
#
# 36 ASN HA 38 GLN QB 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 593, 594,
&end
#
# 36 ASN HA 39 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 36 ASN HB- 39 LEU H 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 565, 566,
&end
#
# 36 ASN HB+ 39 LEU H 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 565, 566,
&end
#
# 36 ASN QB 36 ASN QD2 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 565, 566,
igr2= 570, 571,
&end
#
# 36 ASN QB 38 GLN QE2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 565, 566,
igr2= 601, 602,
&end
#
# 36 ASN QB 39 LEU HG 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 565, 566,
&end
#
# 36 ASN QB 39 LEU QB 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 565, 566,
igr2= 610, 611,
&end
#
# 36 ASN QB 39 LEU QQD 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 565, 566,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 36 ASN QD2 39 LEU QQD 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 570, 571,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 37 PRO HA 38 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 601, 602,
&end
#
# 37 PRO HA 39 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 37 PRO HA 40 MET H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, 625, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 37 PRO HA 40 MET QB 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 629, 630,
&end
#
# 37 PRO HA 40 MET QE 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 636, 637, 638,
&end
#
# 37 PRO HA 41 ALA H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, 642, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 37 PRO HA 41 ALA QB 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 646, 647, 648,
&end
#
# 37 PRO HD- 38 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 576, 577,
&end
#
# 37 PRO HD+ 38 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 576, 577,
&end
#
# 37 PRO QB 41 ALA QB 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 582, 583,
igr2= 646, 647, 648,
&end
#
# 37 PRO QD 38 GLN H 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 576, 577,
&end
#
# 37 PRO QD 38 GLN QE2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 576, 577,
igr2= 601, 602,
&end
#
# 37 PRO QG 38 GLN QE2 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 579, 580,
igr2= 601, 602,
&end
#
# 38 GLN H 38 GLN HG- 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 596, 597,
&end
#
# 38 GLN H 38 GLN HG+ 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 596, 597,
&end
#
# 38 GLN H 38 GLN QB 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 593, 594,
&end
#
# 38 GLN H 38 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 601, 602,
&end
#
# 38 GLN H 39 LEU H 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 589, 606, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 38 GLN HA 38 GLN HG- 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 596, 597,
&end
#
# 38 GLN HA 38 GLN HG+ 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 596, 597,
&end
#
# 38 GLN HA 38 GLN QB 2.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2= 593, 594,
&end
#
# 38 GLN HA 41 ALA QB 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 646, 647, 648,
&end
#
# 38 GLN HE2- 39 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 601, 602,
&end
#
# 38 GLN HE2+ 39 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 601, 602,
&end
#
# 38 GLN QB 38 GLN QE2 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 593, 594,
igr2= 601, 602,
&end
#
# 38 GLN QB 39 LEU H 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 593, 594,
&end
#
# 38 GLN QG 38 GLN QE2 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 596, 597,
igr2= 601, 602,
&end
#
# 38 GLN QG 39 LEU H 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 596, 597,
&end
#
# 39 LEU H 39 LEU HG 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 39 LEU H 39 LEU QB 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 610, 611,
&end
#
# 39 LEU H 39 LEU QQD 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 39 LEU H 42 ALA H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 606, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU HA 39 LEU QQD 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 39 LEU HA 42 ALA H 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 608, 652, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 39 LEU HA 42 ALA QB 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 656, 657, 658,
&end
#
# 39 LEU HG 40 MET H 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 39 LEU QQD 40 MET H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 39 LEU QQD 40 MET HA 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 39 LEU QQD 40 MET QB 7.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 629, 630,
&end
#
# 39 LEU QQD 40 MET QG 6.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 632, 633,
&end
#
# 39 LEU QQD 41 ALA H 6.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 40 MET H 40 MET QB 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 629, 630,
&end
#
# 40 MET H 40 MET QG 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 632, 633,
&end
#
# 40 MET H 41 ALA H 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 625, 642, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 40 MET H 42 ALA H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 625, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 MET HA 40 MET QE 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 636, 637, 638,
&end
#
# 40 MET HA 40 MET QG 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 632, 633,
&end
#
# 40 MET HA 41 ALA HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 MET HA 43 PHE HD1 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 627, 670, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 40 MET HA 43 PHE QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 666, 667,
&end
#
# 40 MET HA 43 PHE H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 627, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 MET HA 44 ILE HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 627, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 MET HB- 41 ALA QB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630,
igr2= 646, 647, 648,
&end
#
# 40 MET HB+ 41 ALA QB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 629, 630,
igr2= 646, 647, 648,
&end
#
# 40 MET HG- 40 MET QE 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 632, 633,
igr2= 636, 637, 638,
&end
#
# 40 MET HG- 41 ALA QB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 632, 633,
igr2= 646, 647, 648,
&end
#
# 40 MET HG+ 40 MET QE 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 632, 633,
igr2= 636, 637, 638,
&end
#
# 40 MET HG+ 41 ALA QB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 632, 633,
igr2= 646, 647, 648,
&end
#
# 40 MET QB 40 MET QE 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 629, 630,
igr2= 636, 637, 638,
&end
#
# 40 MET QB 41 ALA H 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 629, 630,
&end
#
# 40 MET QE 41 ALA H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 636, 637, 638,
&end
#
# 40 MET QE 41 ALA HA 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 636, 637, 638,
&end
#
# 40 MET QE 41 ALA QB 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 636, 637, 638,
igr2= 646, 647, 648,
&end
#
# 40 MET QE 43 PHE HD1 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 636, 637, 638,
&end
#
# 40 MET QE 44 ILE QG2 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 636, 637, 638,
igr2= 688, 689, 690,
&end
#
# 40 MET QG 40 MET QE 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 632, 633,
igr2= 636, 637, 638,
&end
#
# 40 MET QG 41 ALA H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 632, 633,
&end
#
# 41 ALA H 41 ALA QB 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 646, 647, 648,
&end
#
# 41 ALA H 42 ALA H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 642, 652, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 41 ALA H 44 ILE QG2 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 688, 689, 690,
&end
#
# 41 ALA HA 44 ILE H 4.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 644, 682, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 41 ALA HA 44 ILE HB 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 644, 686, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 41 ALA HA 44 ILE QG1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 692, 693,
&end
#
# 41 ALA HA 44 ILE QG2 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 688, 689, 690,
&end
#
# 41 ALA QB 42 ALA H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 646, 647, 648,
&end
#
# 41 ALA QB 42 ALA HA 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 646, 647, 648,
&end
#
# 41 ALA QB 44 ILE HB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 646, 647, 648,
&end
#
# 41 ALA QB 44 ILE QG2 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 646, 647, 648,
igr2= 688, 689, 690,
&end
#
# 41 ALA QB 45 LYS H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 646, 647, 648,
&end
#
# 41 ALA QB 45 LYS QE 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 646, 647, 648,
igr2= 714, 715,
&end
#
# 42 ALA H 42 ALA QB 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 656, 657, 658,
&end
#
# 42 ALA H 43 PHE H 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 652, 662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 42 ALA H 43 PHE QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 666, 667,
&end
#
# 42 ALA HA 44 ILE QG2 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 688, 689, 690,
&end
#
# 42 ALA HA 45 LYS QB 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 705, 706,
&end
#
# 42 ALA HA 45 LYS QD 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 711, 712,
&end
#
# 42 ALA HA 45 LYS H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 ALA QB 43 PHE H 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 656, 657, 658,
&end
#
# 42 ALA QB 45 LYS H 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 656, 657, 658,
&end
#
# 42 ALA QB 45 LYS QB 7.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 656, 657, 658,
igr2= 705, 706,
&end
#
# 43 PHE H 43 PHE HD1 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 662, 670, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 43 PHE HA 43 PHE HD2 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, 678, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 43 PHE HA 46 GLN H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 PHE HD1 44 ILE QG2 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 688, 689, 690,
&end
#
# 43 PHE HZ 47 ARG QD 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 750, 751,
&end
#
# 43 PHE HZ 47 ARG QG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 747, 748,
&end
#
# 43 PHE QE 47 ARG QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 672, 676,
igr2= 744, 745,
&end
#
# 43 PHE QE 47 ARG QD 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 672, 676,
igr2= 750, 751,
&end
#
# 43 PHE QE 47 ARG QG 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 672, 676,
igr2= 747, 748,
&end
#
# 44 ILE H 44 ILE HB 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 682, 686, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 44 ILE H 44 ILE QG1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 692, 693,
&end
#
# 44 ILE H 44 ILE QG2 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 688, 689, 690,
&end
#
# 44 ILE H 45 LYS H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 682, 701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 ILE HA 44 ILE QD1 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 695, 696, 697,
&end
#
# 44 ILE HA 44 ILE QG2 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 688, 689, 690,
&end
#
# 44 ILE HA 47 ARG QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 744, 745,
&end
#
# 44 ILE HB 44 ILE QD1 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 695, 696, 697,
&end
#
# 44 ILE HB 45 LYS H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 686, 701, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 44 ILE QD1 45 LYS HA 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 695, 696, 697,
&end
#
# 44 ILE QD1 48 THR HA 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 695, 696, 697,
&end
#
# 44 ILE QD1 48 THR HB 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 695, 696, 697,
&end
#
# 44 ILE QD1 48 THR QG2 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 695, 696, 697,
igr2= 770, 771, 772,
&end
#
# 44 ILE QD1 51 TYR QD 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 695, 696, 697,
igr2= 818, 827,
&end
#
# 44 ILE QG1 48 THR QG2 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 692, 693,
igr2= 770, 771, 772,
&end
#
# 44 ILE QG1 51 TYR QD 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 692, 693,
igr2= 818, 827,
&end
#
# 44 ILE QG2 44 ILE HG1- 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 688, 689, 690,
igr2= 692, 693,
&end
#
# 44 ILE QG2 44 ILE HG1+ 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 688, 689, 690,
igr2= 692, 693,
&end
#
# 44 ILE QG2 45 LYS H 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 688, 689, 690,
&end
#
# 44 ILE QG2 45 LYS HA 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 688, 689, 690,
&end
#
# 44 ILE QG2 45 LYS QB 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 688, 689, 690,
igr2= 705, 706,
&end
#
# 44 ILE QG2 48 THR HB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 688, 689, 690,
&end
#
# 45 LYS H 45 LYS HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 708, 709,
&end
#
# 45 LYS H 45 LYS HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 708, 709,
&end
#
# 45 LYS H 45 LYS QB 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 705, 706,
&end
#
# 45 LYS H 46 GLN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 701, 723, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 LYS HA 45 LYS HE- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 714, 715,
&end
#
# 45 LYS HA 45 LYS HE+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 714, 715,
&end
#
# 45 LYS HA 45 LYS HG- 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 708, 709,
&end
#
# 45 LYS HA 45 LYS HG+ 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 708, 709,
&end
#
# 45 LYS HA 45 LYS QD 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 711, 712,
&end
#
# 45 LYS HA 48 THR HB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 703, 768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 LYS HA 48 THR QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 770, 771, 772,
&end
#
# 45 LYS QB 45 LYS QD 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 705, 706,
igr2= 711, 712,
&end
#
# 45 LYS QB 45 LYS QE 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 705, 706,
igr2= 714, 715,
&end
#
# 45 LYS QB 46 GLN H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 705, 706,
&end
#
# 45 LYS QG 45 LYS QE 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 708, 709,
igr2= 714, 715,
&end
#
# 45 LYS QG 46 GLN H 5.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 708, 709,
&end
#
# 46 GLN H 46 GLN QB 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 727, 728,
&end
#
# 46 GLN H 46 GLN QG 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 730, 731,
&end
#
# 46 GLN H 47 ARG H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 GLN HA 46 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 735, 736,
&end
#
# 46 GLN HA 46 GLN QG 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 730, 731,
&end
#
# 46 GLN HA 48 THR H 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 725, 764, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 46 GLN HA 49 ALA QB 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 782, 783, 784,
&end
#
# 46 GLN QB 46 GLN QE2 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 727, 728,
igr2= 735, 736,
&end
#
# 46 GLN QG 47 ARG H 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 730, 731,
&end
#
# 47 ARG H 47 ARG QB 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 744, 745,
&end
#
# 47 ARG HA 47 ARG QD 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 750, 751,
&end
#
# 47 ARG HA 50 LYS H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 742, 788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ARG HA 50 LYS QB 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 792, 793,
&end
#
# 47 ARG QB 48 THR H 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 744, 745,
&end
#
# 47 ARG H 48 THR H 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 740, 764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 47 ARG H 49 ALA H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 740, 778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 ARG QB 48 THR QG2 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 744, 745,
igr2= 770, 771, 772,
&end
#
# 47 ARG QD 48 THR H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 750, 751,
&end
#
# 47 ARG QD 48 THR HA 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 750, 751,
&end
#
# 47 ARG QD 50 LYS H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 750, 751,
&end
#
# 47 ARG QG 48 THR H 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 747, 748,
&end
#
# 48 THR H 48 THR HB 3.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 764, 768, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 48 THR H 48 THR QG2 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 770, 771, 772,
&end
#
# 48 THR H 49 ALA H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 764, 778, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HA 48 THR QG2 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 770, 771, 772,
&end
#
# 48 THR HA 49 ALA H 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 766, 778, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 49 ALA H 49 ALA QB 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 782, 783, 784,
&end
#
# 49 ALA H 50 LYS H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 778, 788, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ALA QB 50 LYS H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 782, 783, 784,
&end
#
# 49 ALA QB 51 TYR H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 782, 783, 784,
&end
#
# 50 LYS H 50 LYS QB 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 792, 793,
&end
#
# 50 LYS H 50 LYS QG 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 795, 796,
&end
#
# 50 LYS HA 50 LYS HE- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 801, 802,
&end
#
# 50 LYS HA 50 LYS HE+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 801, 802,
&end
#
# 50 LYS HA 50 LYS HG- 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 795, 796,
&end
#
# 50 LYS HA 50 LYS HG+ 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 795, 796,
&end
#
# 50 LYS HA 50 LYS QB 2.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2= 792, 793,
&end
#
# 50 LYS HA 50 LYS QD 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 798, 799,
&end
#
# 50 LYS HA 51 TYR HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS QB 50 LYS QE 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 792, 793,
igr2= 801, 802,
&end
#
# 50 LYS QB 51 TYR H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 792, 793,
&end
#
# 50 LYS QG 50 LYS QE 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 795, 796,
igr2= 801, 802,
&end
#
# 50 LYS QG 51 TYR H 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 795, 796,
&end
#
# 51 TYR H 51 TYR HB- 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 814, 815,
&end
#
# 51 TYR H 51 TYR HB+ 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 814, 815,
&end
#
# 51 TYR H 51 TYR QD 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 818, 827,
&end
#
# 51 TYR H 52 VAL QQG 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 51 TYR HA 51 TYR QE 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 820, 825,
&end
#
# 51 TYR HA 52 VAL H 2.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 812, 831, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 TYR HA 52 VAL HA 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 812, 833, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 51 TYR HA 53 ALA H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 812, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HB- 52 VAL H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 814, 815,
&end
#
# 51 TYR HB+ 52 VAL H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 814, 815,
&end
#
# 51 TYR QB 52 VAL QQG 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 814, 815,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 51 TYR QD 52 VAL H 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 818, 827,
&end
#
# 51 TYR QD 52 VAL HA 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 818, 827,
&end
#
# 51 TYR QD 52 VAL QQG 8.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 818, 827,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 51 TYR QD 53 ALA QB 6.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 818, 827,
igr2= 851, 852, 853,
&end
#
# 51 TYR QE 53 ALA QB 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 820, 825,
igr2= 851, 852, 853,
&end
#
# 52 VAL H 52 VAL HB 3.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 831, 835, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 52 VAL H 52 VAL QQG 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 52 VAL H 53 ALA H 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 831, 847, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 52 VAL HA 52 VAL QQG 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 52 VAL HB 53 ALA H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 835, 847, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 52 VAL QQG 53 ALA QB 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 837, 838, 839, 841, 842, 843,
igr2= 851, 852, 853,
&end
#
# 52 VAL QQG 53 ALA QB 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 837, 838, 839, 841, 842, 843,
igr2= 851, 852, 853,
&end
#
# 52 VAL QQG 53 ALA H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 837, 838, 839, 841, 842, 843,
&end
#
# 52 VAL QQG 53 ALA HA 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 837, 838, 839, 841, 842, 843,
&end
#
# 52 VAL QQG 54 ASN H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 837, 838, 839, 841, 842, 843,
&end
#
# 53 ALA H 53 ALA QB 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 851, 852, 853,
&end
#
# 53 ALA HA 54 ASN H 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 849, 857, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 53 ALA HA 54 ASN QD2 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 866, 867,
&end
#
# 53 ALA QB 54 ASN H 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 851, 852, 853,
&end
#
# 53 ALA QB 54 ASN HA 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 851, 852, 853,
&end
#
# 53 ALA QB 54 ASN QB 6.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 851, 852, 853,
igr2= 861, 862,
&end
#
# 53 ALA QB 54 ASN QD2 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 851, 852, 853,
igr2= 866, 867,
&end
#
# 54 ASN H 54 ASN QB 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 861, 862,
&end
#
# 54 ASN H 54 ASN QD2 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 866, 867,
&end
#
# 54 ASN HB- 55 GLN H 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 861, 862,
&end
#
# 54 ASN HB+ 55 GLN H 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 861, 862,
&end
#
# 54 ASN QB 54 ASN HD2- 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 861, 862,
igr2= 866, 867,
&end
#
# 54 ASN QB 54 ASN HD2+ 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 861, 862,
igr2= 866, 867,
&end
#
# 55 GLN H 55 GLN QB 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 875, 876,
&end
#
# 55 GLN H 55 GLN QG 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 878, 879,
&end
#
# 55 GLN H 56 PRO QD 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 889, 890,
&end
#
# 55 GLN HA 55 GLN HE2- 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 883, 884,
&end
#
# 55 GLN HA 55 GLN HE2+ 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 883, 884,
&end
#
# 55 GLN HA 55 GLN QG 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 878, 879,
&end
#
# 55 GLN HA 56 PRO QD 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 889, 890,
&end
#
# 55 GLN QB 56 PRO QD 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 875, 876,
igr2= 889, 890,
&end
#
# 55 GLN QG 55 GLN QE2 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 878, 879,
igr2= 883, 884,
&end
#
# 56 PRO HA 57 GLY H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 898, 902, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 56 PRO HA 58 MET H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 898, 909, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 56 PRO HB- 57 GLY H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 895, 896,
&end
#
# 56 PRO HB+ 57 GLY H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 895, 896,
&end
#
# 57 GLY H 58 MET H 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 902, 909, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 58 MET H 58 MET HG- 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 916, 917,
&end
#
# 58 MET H 58 MET HG+ 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 916, 917,
&end
#
# 58 MET HA 59 GLN H 2.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 911, 926, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 58 MET HA 59 GLN HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 911, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLN H 59 GLN QB 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 930, 931,
&end
#
# 59 GLN H 59 GLN QG 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 933, 934,
&end
#
# 59 GLN HA 59 GLN QE2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 938, 939,
&end
#
# 59 GLN QG 59 GLN QE2 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 933, 934,
igr2= 938, 939,
&end
#
# 60 PRO HB- 61 LEU H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 950, 951,
&end
#
# 60 PRO HB+ 61 LEU H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 950, 951,
&end
#
# 60 PRO HG- 61 LEU QQD 8.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 947, 948,
igr2= 966, 967, 968, 970, 971, 972,
&end
#
# 60 PRO QB 61 LEU H 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 950, 951,
&end
#
# 60 PRO QB 61 LEU HA 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 950, 951,
&end
#
# 60 PRO QB 61 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 950, 951,
igr2= 966, 967, 968, 970, 971, 972,
&end
#
# 60 PRO QD 61 LEU H 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 944, 945,
&end
#
# 60 PRO QD 61 LEU QQD 6.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 944, 945,
igr2= 966, 967, 968, 970, 971, 972,
&end
#
# 60 PRO QG 61 LEU HG 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 947, 948,
&end
#
# 60 PRO QG 61 LEU QB 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 947, 948,
igr2= 961, 962,
&end
#
# 60 PRO QG 61 LEU QQD 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 947, 948,
igr2= 966, 967, 968, 970, 971, 972,
&end
#
# 61 LEU H 61 LEU HG 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 957, 964, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 61 LEU H 61 LEU QB 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 961, 962,
&end
#
# 61 LEU H 61 LEU QQD 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 966, 967, 968, 970, 971, 972,
&end
#
# 61 LEU H 62 SER H 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 957, 976, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 61 LEU HA 61 LEU QB 2.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
igr2= 961, 962,
&end
#
# 61 LEU HA 61 LEU QQD 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 966, 967, 968, 970, 971, 972,
&end
#
# 61 LEU HA 62 SER H 3.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 61 LEU QB 62 SER H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 961, 962,
&end
#
# 61 LEU QB 62 SER QB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 961, 962,
igr2= 980, 981,
&end
#
# 61 LEU QQD 65 THR HB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1023, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 966, 967, 968, 970, 971, 972,
&end
#
# 61 LEU QQD 65 THR HB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1023, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 966, 967, 968, 970, 971, 972,
&end
#
# 61 LEU QQD 62 SER H 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 966, 967, 968, 970, 971, 972,
&end
#
# 61 LEU QQD 62 SER HA 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 966, 967, 968, 970, 971, 972,
&end
#
# 61 LEU QQD 62 SER QB 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 966, 967, 968, 970, 971, 972,
igr2= 980, 981,
&end
#
# 61 LEU QQD 63 GLN HA 7.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 966, 967, 968, 970, 971, 972,
&end
#
# 62 SER H 62 SER QB 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 980, 981,
&end
#
# 62 SER H 63 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 976, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 SER H 64 GLU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 976, 1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 SER HA 63 GLN H 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 978, 987, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 62 SER HA 63 GLN HE2- 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 999, 1000,
&end
#
# 62 SER HA 63 GLN HE2+ 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 999, 1000,
&end
#
# 62 SER HA 64 GLU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 978, 1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 SER HA 64 GLU QG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1011, 1012,
&end
#
# 62 SER HA 65 THR H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 978, 1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 SER HA 65 THR QG2 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1025, 1026, 1027,
&end
#
# 62 SER HB- 63 GLN H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 980, 981,
&end
#
# 62 SER HB+ 63 GLN H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 980, 981,
&end
#
# 62 SER QB 63 GLN QE2 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 980, 981,
igr2= 999, 1000,
&end
#
# 62 SER QB 63 GLN QG 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 980, 981,
igr2= 994, 995,
&end
#
# 62 SER QB 64 GLU H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1004, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 980, 981,
&end
#
# 62 SER QB 64 GLU HA 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1006, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 980, 981,
&end
#
# 62 SER QB 64 GLU QB 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 980, 981,
igr2= 1008, 1009,
&end
#
# 62 SER QB 64 GLU QG 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 980, 981,
igr2= 1011, 1012,
&end
#
# 62 SER QB 65 THR H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1019, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 980, 981,
&end
#
# 63 GLN H 63 GLN HB- 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 991, 992,
&end
#
# 63 GLN H 63 GLN HB+ 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 991, 992,
&end
#
# 63 GLN H 63 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 999, 1000,
&end
#
# 63 GLN H 63 GLN QG 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 994, 995,
&end
#
# 63 GLN HA 63 GLN QB 2.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2= 991, 992,
&end
#
# 63 GLN HA 63 GLN QE2 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 999, 1000,
&end
#
# 63 GLN HA 63 GLN QG 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 994, 995,
&end
#
# 63 GLN HA 64 GLU H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 989, 1004, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 GLN QB 63 GLN QE2 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 991, 992,
igr2= 999, 1000,
&end
#
# 63 GLN QG 63 GLN QE2 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 994, 995,
igr2= 999, 1000,
&end
#
# 63 GLN QG 64 GLU H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1004, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 994, 995,
&end
#
# 64 GLU H 64 GLU QB 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1004, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 1008, 1009,
&end
#
# 64 GLU H 64 GLU QG 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1004, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 1011, 1012,
&end
#
# 64 GLU H 65 THR H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1004, 1019, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 64 GLU HA 64 GLU QB 2.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1006, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2= 1008, 1009,
&end
#
# 64 GLU HA 64 GLU QG 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1006, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 1011, 1012,
&end
#
# 64 GLU HA 65 THR H 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1006, 1019, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 64 GLU HA 65 THR QG2 6.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1006, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 1025, 1026, 1027,
&end
#
# 64 GLU HG- 65 THR H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1011, 1012,
&end
#
# 64 GLU HG+ 65 THR H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1011, 1012,
&end
#
# 64 GLU QB 65 THR H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1008, 1009,
&end
#
# 64 GLU QB 65 THR QG2 6.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 1008, 1009,
igr2= 1025, 1026, 1027,
&end
#
# 64 GLU QG 65 THR QG2 7.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 1011, 1012,
igr2= 1025, 1026, 1027,
&end
#
# 65 THR H 65 THR HB 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1019, 1023, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 65 THR H 65 THR QG2 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1019, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 1025, 1026, 1027,
&end
#
# 65 THR H 68 ASP QB 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1019, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 1068, 1069,
&end
#
# 65 THR HA 65 THR QG2 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1021, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 1025, 1026, 1027,
&end
#
# 65 THR HA 66 PHE HD1 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1021, 1041, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 65 THR HB 66 PHE H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1023, 1033, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 65 THR HB 66 PHE HA 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1023, 1035, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 65 THR HB 66 PHE HD1 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1023, 1041, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 65 THR HB 69 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1023, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 65 THR QG2 66 PHE H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1033, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 1025, 1026, 1027,
&end
#
# 65 THR QG2 66 PHE HD1 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1041, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 1025, 1026, 1027,
&end
#
# 65 THR QG2 68 ASP QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 1025, 1026, 1027,
igr2= 1068, 1069,
&end
#
# 66 PHE H 66 PHE HB- 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 1037, 1038,
&end
#
# 66 PHE H 66 PHE HB+ 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 1037, 1038,
&end
#
# 66 PHE H 66 PHE HD1 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, 1041, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 66 PHE H 67 SER H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, 1053, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 PHE HA 66 PHE HD1 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1041, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 66 PHE HA 66 PHE HD2 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1049, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 66 PHE HA 69 LEU H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 PHE HA 69 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 PHE HA 69 LEU HG 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1083, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 66 PHE HA 69 LEU QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1080, 1081,
&end
#
# 66 PHE HA 69 LEU QQD 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 66 PHE HA 69 LEU QQD 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 66 PHE HA 70 TRP H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 PHE HB- 67 SER H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1053, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 1037, 1038,
&end
#
# 66 PHE HB- 100 TRP HD1 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1571, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 1037, 1038,
&end
#
# 66 PHE HB- 100 TRP HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1037, 1038,
&end
#
# 66 PHE HB+ 67 SER H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1053, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 1037, 1038,
&end
#
# 66 PHE HD1 67 SER H 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1041, 1053, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 66 PHE HD1 67 SER HA 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1041, 1055, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 66 PHE QB 66 PHE HD1 3.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1041, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 1037, 1038,
&end
#
# 66 PHE QB 66 PHE HD2 3.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1049, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 1037, 1038,
&end
#
# 66 PHE QB 67 SER HA 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1055, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1037, 1038,
&end
#
# 66 PHE QB 69 LEU HG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1083, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1037, 1038,
&end
#
# 66 PHE QB 69 LEU QQD 6.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 1037, 1038,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 66 PHE QE 67 SER HB- 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1043, 1047,
igr2= 1057, 1058,
&end
#
# 66 PHE QE 67 SER HB+ 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1043, 1047,
igr2= 1057, 1058,
&end
#
# 67 SER H 67 SER HB- 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1053, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 1057, 1058,
&end
#
# 67 SER H 67 SER HB+ 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1053, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 1057, 1058,
&end
#
# 67 SER H 68 ASP QB 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1053, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 1068, 1069,
&end
#
# 67 SER H 68 ASP H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1053, 1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 SER H 69 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1053, 1083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HA 68 ASP HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, 1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HA 69 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, 1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HA 70 TRP H 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, 1095, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 67 SER HA 70 TRP HB- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1099, 1100,
&end
#
# 67 SER HA 70 TRP HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1099, 1100,
&end
#
# 67 SER HA 70 TRP HD1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, 1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 SER HA 70 TRP HE1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, 1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 SER HA 71 LYS H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1055, 1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HB- 68 ASP H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1064, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 1057, 1058,
&end
#
# 67 SER HB- 70 TRP HD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1057, 1058,
&end
#
# 67 SER HB+ 68 ASP H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1064, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 1057, 1058,
&end
#
# 67 SER HB+ 70 TRP HD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1057, 1058,
&end
#
# 67 SER QB 68 ASP H 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1064, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 1057, 1058,
&end
#
# 67 SER QB 68 ASP HA 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1066, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 1057, 1058,
&end
#
# 67 SER QB 69 LEU H 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1057, 1058,
&end
#
# 67 SER QB 70 TRP HE1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1105, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1057, 1058,
&end
#
# 68 ASP H 68 ASP QB 3.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1064, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 1068, 1069,
&end
#
# 68 ASP H 69 LEU H 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1064, 1076, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 68 ASP H 69 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1064, 1083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ASP H 69 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1064, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 68 ASP H 70 TRP H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1064, 1095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 ASP HA 69 LEU H 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1076, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 68 ASP HA 70 TRP H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 ASP HA 70 TRP HD1 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1103, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 68 ASP HA 71 LYS H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1119, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 68 ASP HA 72 LEU H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 ASP HA 71 LYS QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1123, 1124,
&end
#
# 68 ASP HA 71 LYS QD 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 1129, 1130,
&end
#
# 68 ASP HA 71 LYS QG 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 1126, 1127,
&end
#
# 68 ASP HB- 69 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1068, 1069,
&end
#
# 68 ASP HB- 70 TRP H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1068, 1069,
&end
#
# 68 ASP HB+ 69 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1068, 1069,
&end
#
# 68 ASP HB+ 70 TRP H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1068, 1069,
&end
#
# 68 ASP QB 69 LEU QQD 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 1068, 1069,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 68 ASP QB 71 LYS QD 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 1068, 1069,
igr2= 1129, 1130,
&end
#
# 68 ASP QB 71 LYS QG 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 1068, 1069,
igr2= 1126, 1127,
&end
#
# 69 LEU H 69 LEU HG 2.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, 1083, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 69 LEU H 69 LEU QB 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 1080, 1081,
&end
#
# 69 LEU H 69 LEU QQD 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU H 70 TRP HD1 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, 1103, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 69 LEU H 70 TRP H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, 1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 LEU H 71 LYS H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, 1119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 LEU HA 69 LEU HG 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, 1083, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 69 LEU HA 69 LEU QQD 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU HA 69 LEU QQD 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU HA 70 TRP HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, 1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU HA 72 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, 1148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU HA 72 LEU QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1145, 1146,
&end
#
# 69 LEU HA 73 LEU H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, 1160, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 LEU HB- 69 LEU QQD 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 1080, 1081,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU HB- 69 LEU QQD 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 1080, 1081,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU HB+ 69 LEU QQD 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 1080, 1081,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU HB+ 69 LEU QQD 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 1080, 1081,
igr2= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU QB 70 TRP H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 1080, 1081,
&end
#
# 69 LEU QB 70 TRP HA 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1097, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 1080, 1081,
&end
#
# 69 LEU QQD 103 GLU QB 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
igr2= 1625, 1626,
&end
#
# 69 LEU QQD 103 GLU QB 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
igr2= 1625, 1626,
&end
#
# 69 LEU QQD 70 TRP H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU QQD 99 GLN QE2 7.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
igr2= 1558, 1559,
&end
#
# 69 LEU QQD 99 GLN QG 6.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
igr2= 1553, 1554,
&end
#
# 69 LEU QQD 100 TRP H 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1563, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU QQD 100 TRP HA 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1565, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU QQD 100 TRP HE3 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1582, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 69 LEU QQD 100 TRP QB 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
igr2= 1567, 1568,
&end
#
# 69 LEU QQD 102 THR H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1607, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 1085, 1086, 1087, 1089, 1090, 1091,
&end
#
# 70 TRP H 70 TRP HD1 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1095, 1103, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 70 TRP H 70 TRP HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1095, 1105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 TRP H 70 TRP QB 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1095, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 1099, 1100,
&end
#
# 70 TRP H 71 LYS H 3.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1095, 1119, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 70 TRP HA 70 TRP HD1 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, 1103, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 70 TRP HA 70 TRP HE3 3.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, 1114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 70 TRP HA 72 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, 1141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 TRP HA 73 LEU H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, 1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 TRP HA 73 LEU QQD 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 70 TRP HA 73 LEU QQD 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 70 TRP HB- 70 TRP HE3 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1114, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 1099, 1100,
&end
#
# 70 TRP HB+ 70 TRP HE3 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1114, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 1099, 1100,
&end
#
# 70 TRP HE3 73 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1114, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 70 TRP HE3 73 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1114, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 70 TRP HH2 100 TRP HE3 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, 1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 TRP QB 70 TRP HD1 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1103, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 1099, 1100,
&end
#
# 70 TRP QB 71 LYS H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1119, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 1099, 1100,
&end
#
# 70 TRP QB 73 LEU QQD 8.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 1099, 1100,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 71 LYS H 71 LYS QB 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1119, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 1123, 1124,
&end
#
# 71 LYS H 71 LYS QG 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1119, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 1126, 1127,
&end
#
# 71 LYS H 72 LEU H 3.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1119, 1141, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 71 LYS H 72 LEU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1119, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1145, 1146,
&end
#
# 71 LYS HA 72 LEU H 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1121, 1141, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 71 LYS HA 73 LEU H 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1121, 1160, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 71 LYS QB 71 LYS QE 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 1123, 1124,
igr2= 1132, 1133,
&end
#
# 71 LYS QG 72 LEU H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1141, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1126, 1127,
&end
#
# 72 LEU H 72 LEU HG 2.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, 1148, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 72 LEU H 72 LEU QB 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 1145, 1146,
&end
#
# 72 LEU H 73 LEU H 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1141, 1160, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 72 LEU HA 72 LEU HG 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, 1148, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 72 LEU HA 72 LEU QQD 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1150, 1151, 1152, 1154, 1155, 1156,
&end
#
# 72 LEU HA 72 LEU QQD 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1150, 1151, 1152, 1154, 1155, 1156,
&end
#
# 73 LEU H 73 LEU QB 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1160, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 1164, 1165,
&end
#
# 73 LEU H 73 LEU QQD 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1160, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 73 LEU H 74 PRO QD 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1160, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 1180, 1181,
&end
#
# 73 LEU HA 73 LEU QQD 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1162, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 73 LEU HA 73 LEU QQD 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1162, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 73 LEU HA 74 PRO QD 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1162, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 1180, 1181,
&end
#
# 73 LEU HG 74 PRO QD 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1167, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 1180, 1181,
&end
#
# 73 LEU QB 74 PRO QD 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1164, 1165,
igr2= 1180, 1181,
&end
#
# 73 LEU QQD 74 PRO QD 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 1169, 1170, 1171, 1173, 1174, 1175,
igr2= 1180, 1181,
&end
#
# 73 LEU QQD 75 GLU H 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1193, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 74 PRO HA 75 GLU H 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, 1193, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 74 PRO HA 77 ASN H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, 1222, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 74 PRO HA 77 ASN QB 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 1226, 1227,
&end
#
# 74 PRO HD- 75 GLU H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1193, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1180, 1181,
&end
#
# 74 PRO HD+ 75 GLU H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1193, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1180, 1181,
&end
#
# 74 PRO QG 75 GLU H 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1193, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 1183, 1184,
&end
#
# 75 GLU H 75 GLU QB 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1193, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 1197, 1198,
&end
#
# 75 GLU H 75 GLU QG 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1193, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 1200, 1201,
&end
#
# 75 GLU H 76 ASN H 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1193, 1208, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 75 GLU HA 75 GLU QG 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1195, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 1200, 1201,
&end
#
# 75 GLU HA 77 ASN H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1195, 1222, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 75 GLU HG- 76 ASN HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1200, 1201,
&end
#
# 75 GLU HG- 77 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1200, 1201,
&end
#
# 75 GLU HG+ 77 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1200, 1201,
&end
#
# 75 GLU QB 76 ASN H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1208, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 1197, 1198,
&end
#
# 75 GLU QB 76 ASN HA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1210, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1197, 1198,
&end
#
# 75 GLU QB 77 ASN H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1222, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1197, 1198,
&end
#
# 75 GLU QG 76 ASN H 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1208, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 1200, 1201,
&end
#
# 76 ASN H 76 ASN HB- 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1208, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 1212, 1213,
&end
#
# 76 ASN H 76 ASN HB+ 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1208, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 1212, 1213,
&end
#
# 76 ASN H 76 ASN QD2 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1208, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 1217, 1218,
&end
#
# 76 ASN H 77 ASN QD2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1208, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1231, 1232,
&end
#
# 76 ASN HA 76 ASN QB 2.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1210, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 1212, 1213,
&end
#
# 76 ASN HA 77 ASN H 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1210, 1222, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 76 ASN QB 76 ASN QD2 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 1212, 1213,
igr2= 1217, 1218,
&end
#
# 76 ASN QB 77 ASN H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1222, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 1212, 1213,
&end
#
# 76 ASN QD2 77 ASN H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1222, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1217, 1218,
&end
#
# 77 ASN H 77 ASN QB 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1222, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 1226, 1227,
&end
#
# 77 ASN H 77 ASN QD2 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1222, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 1231, 1232,
&end
#
# 77 ASN H 78 VAL QQG 6.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1222, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 77 ASN HA 77 ASN QD2 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1224, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 1231, 1232,
&end
#
# 77 ASN HA 78 VAL H 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1224, 1236, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 ASN HA 78 VAL HA 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1224, 1238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 77 ASN HA 78 VAL QQG 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1224, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 77 ASN HA 78 VAL QQG 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1224, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 77 ASN HA 79 LEU QQD 6.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1224, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2= 1261, 1262, 1263, 1265, 1266, 1267,
&end
#
# 77 ASN HB- 78 VAL HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1226, 1227,
&end
#
# 77 ASN HB+ 78 VAL HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1226, 1227,
&end
#
# 77 ASN QB 77 ASN QD2 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 1226, 1227,
igr2= 1231, 1232,
&end
#
# 77 ASN QB 78 VAL H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1236, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 1226, 1227,
&end
#
# 77 ASN QB 79 LEU QQD 7.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 1226, 1227,
igr2= 1261, 1262, 1263, 1265, 1266, 1267,
&end
#
# 77 ASN QD2 78 VAL H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1236, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1231, 1232,
&end
#
# 78 VAL H 78 VAL QQG 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1236, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 78 VAL H 79 LEU H 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1236, 1252, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 78 VAL HA 78 VAL HB 2.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1238, 1240, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 78 VAL HA 78 VAL QQG 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1238, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 78 VAL HA 78 VAL QQG 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1238, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 78 VAL HB 79 LEU H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1240, 1252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 VAL HB 79 LEU HA 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1240, 1254, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 78 VAL QQG 79 LEU HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 78 VAL QQG 79 LEU HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 78 VAL QQG 79 LEU H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1252, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 78 VAL QQG 79 LEU HG 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 1242, 1243, 1244, 1246, 1247, 1248,
&end
#
# 78 VAL QQG 79 LEU QB 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 1242, 1243, 1244, 1246, 1247, 1248,
igr2= 1256, 1257,
&end
#
# 79 LEU H 79 LEU QB 3.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1252, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 1256, 1257,
&end
#
# 79 LEU H 79 LEU QQD 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1252, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 1261, 1262, 1263, 1265, 1266, 1267,
&end
#
# 79 LEU HA 79 LEU QQD 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1254, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 1261, 1262, 1263, 1265, 1266, 1267,
&end
#
# 79 LEU HA 79 LEU QQD 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1254, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 1261, 1262, 1263, 1265, 1266, 1267,
&end
#
# 79 LEU QQD 80 SER H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1271, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 1261, 1262, 1263, 1265, 1266, 1267,
&end
#
# 79 LEU QQD 80 SER H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1271, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1261, 1262, 1263, 1265, 1266, 1267,
&end
#
# 80 SER H 80 SER QB 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1271, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 1275, 1276,
&end
#
# 80 SER H 81 PRO QD 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1271, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 1283, 1284,
&end
#
# 80 SER HA 81 PRO HD- 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1273, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 1283, 1284,
&end
#
# 80 SER HA 81 PRO HD+ 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1273, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 1283, 1284,
&end
#
# 80 SER HA 81 PRO QG 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1273, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 1286, 1287,
&end
#
# 81 PRO QB 82 LEU H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1296, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 1289, 1290,
&end
#
# 81 PRO QD 82 LEU H 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1296, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 1283, 1284,
&end
#
# 81 PRO QG 82 LEU H 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1296, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 1286, 1287,
&end
#
# 81 PRO QG 82 LEU QQD 6.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 1286, 1287,
igr2= 1305, 1306, 1307, 1309, 1310, 1311,
&end
#
# 82 LEU H 82 LEU HG 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1303, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 82 LEU H 82 LEU QB 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 1300, 1301,
&end
#
# 82 LEU H 82 LEU QQD 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 1305, 1306, 1307, 1309, 1310, 1311,
&end
#
# 82 LEU H 83 PRO HD- 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 1316, 1317,
&end
#
# 82 LEU H 83 PRO HD+ 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 1316, 1317,
&end
#
# 82 LEU HA 82 LEU HG 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1298, 1303, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 82 LEU HA 82 LEU QQD 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1298, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 1305, 1306, 1307, 1309, 1310, 1311,
&end
#
# 82 LEU HA 82 LEU QQD 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1298, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 1305, 1306, 1307, 1309, 1310, 1311,
&end
#
# 82 LEU HA 83 PRO HD- 3.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1298, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 1316, 1317,
&end
#
# 82 LEU HA 83 PRO HD+ 3.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1298, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 1316, 1317,
&end
#
# 82 LEU HG 83 PRO QD 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1303, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 1316, 1317,
&end
#
# 82 LEU QB 83 PRO QD 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 1300, 1301,
igr2= 1316, 1317,
&end
#
# 82 LEU QQD 83 PRO HD- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1305, 1306, 1307, 1309, 1310, 1311,
igr2= 1316, 1317,
&end
#
# 82 LEU QQD 83 PRO HD+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1305, 1306, 1307, 1309, 1310, 1311,
igr2= 1316, 1317,
&end
#
# 82 LEU QQD 83 PRO HD- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1305, 1306, 1307, 1309, 1310, 1311,
igr2= 1316, 1317,
&end
#
# 82 LEU QQD 83 PRO HD+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1305, 1306, 1307, 1309, 1310, 1311,
igr2= 1316, 1317,
&end
#
# 83 PRO HA 84 SER H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1325, 1329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 PRO QB 84 SER HA 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1331, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1322, 1323,
&end
#
# 83 PRO QB 84 SER QB 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1322, 1323,
igr2= 1333, 1334,
&end
#
# 83 PRO QB 84 SER QB 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1322, 1323,
igr2= 1333, 1334,
&end
#
# 83 PRO QD 84 SER H 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1329, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1316, 1317,
&end
#
# 83 PRO QG 84 SER H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1329, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 1319, 1320,
&end
#
# 84 SER H 84 SER HB- 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1329, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 1333, 1334,
&end
#
# 84 SER H 84 SER HB+ 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1329, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 1333, 1334,
&end
#
# 84 SER HA 85 GLN H 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1331, 1340, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 84 SER QB 85 GLN H 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1340, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 1333, 1334,
&end
#
# 84 SER QB 86 ALA QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 1333, 1334,
igr2= 1361, 1362, 1363,
&end
#
# 85 GLN H 85 GLN HB2 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1340, 1344, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 85 GLN H 85 GLN HB3 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1340, 1345, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 85 GLN H 85 GLN QG 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1340, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 1347, 1348,
&end
#
# 85 GLN H 86 ALA H 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1340, 1357, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 85 GLN HA 85 GLN HG- 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1342, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 1347, 1348,
&end
#
# 85 GLN HA 85 GLN HG+ 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1342, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 1347, 1348,
&end
#
# 85 GLN HA 85 GLN QE2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1342, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1352, 1353,
&end
#
# 85 GLN HA 86 ALA H 2.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1342, 1357, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 85 GLN HB2 85 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1344, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1352, 1353,
&end
#
# 85 GLN HB2 85 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1344, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1352, 1353,
&end
#
# 85 GLN HB2 86 ALA H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1344, 1357, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 85 GLN HB3 85 GLN HE2- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1345, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1352, 1353,
&end
#
# 85 GLN HB3 85 GLN HE2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1345, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1352, 1353,
&end
#
# 85 GLN HB3 86 ALA H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1345, 1357, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 85 GLN QG 85 GLN QE2 3.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 1347, 1348,
igr2= 1352, 1353,
&end
#
# 85 GLN QG 86 ALA H 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1357, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1347, 1348,
&end
#
# 86 ALA H 86 ALA QB 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1357, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 1361, 1362, 1363,
&end
#
# 86 ALA HA 87 MET H 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1359, 1367, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 86 ALA HA 87 MET HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1359, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1374, 1375,
&end
#
# 86 ALA HA 87 MET HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1359, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1374, 1375,
&end
#
# 86 ALA HA 88 ASP H 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1359, 1384, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 86 ALA QB 87 MET H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1367, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 1361, 1362, 1363,
&end
#
# 86 ALA QB 87 MET HA 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1369, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 1361, 1362, 1363,
&end
#
# 86 ALA QB 87 MET QB 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 1361, 1362, 1363,
igr2= 1371, 1372,
&end
#
# 86 ALA QB 87 MET QG 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 1361, 1362, 1363,
igr2= 1374, 1375,
&end
#
# 87 MET H 87 MET HB- 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1367, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1371, 1372,
&end
#
# 87 MET H 87 MET HB+ 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1367, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1371, 1372,
&end
#
# 87 MET H 87 MET HG- 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1367, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1374, 1375,
&end
#
# 87 MET H 87 MET HG+ 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1367, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1374, 1375,
&end
#
# 87 MET H 90 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1367, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 87 MET HA 87 MET HG- 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 1374, 1375,
&end
#
# 87 MET HA 87 MET HG+ 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 1374, 1375,
&end
#
# 87 MET HA 87 MET QE 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 1378, 1379, 1380,
&end
#
# 87 MET HA 90 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, 1408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 MET HA 90 LEU HG 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, 1415, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 87 MET HA 90 LEU QB 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 1412, 1413,
&end
#
# 87 MET HA 90 LEU QQD 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 87 MET HA 90 LEU QQD 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1369, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 87 MET HG- 87 MET QE 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1374, 1375,
igr2= 1378, 1379, 1380,
&end
#
# 87 MET HG+ 87 MET QE 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1374, 1375,
igr2= 1378, 1379, 1380,
&end
#
# 87 MET QB 90 LEU H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1408, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1371, 1372,
&end
#
# 87 MET QE 90 LEU HB- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1378, 1379, 1380,
igr2= 1412, 1413,
&end
#
# 87 MET QE 90 LEU HB+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1378, 1379, 1380,
igr2= 1412, 1413,
&end
#
# 87 MET QE 90 LEU QQD 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1378, 1379, 1380,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 87 MET QE 90 LEU QQD 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1378, 1379, 1380,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 87 MET QG 88 ASP H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1384, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1374, 1375,
&end
#
# 87 MET QG 90 LEU QQD 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 1374, 1375,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 88 ASP H 88 ASP QB 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1384, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 1388, 1389,
&end
#
# 88 ASP H 90 LEU HG 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1384, 1415, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 88 ASP QB 89 ASP H 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1396, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 1388, 1389,
&end
#
# 88 ASP QB 90 LEU HG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1415, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1388, 1389,
&end
#
# 88 ASP QB 90 LEU QQD 6.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 1388, 1389,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 89 ASP H 89 ASP QB 2.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1396, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2= 1400, 1401,
&end
#
# 89 ASP H 90 LEU H 3.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1396, 1408, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 89 ASP H 90 LEU QQD 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1396, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 89 ASP HA 90 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1398, 1410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASP QB 90 LEU QQD 7.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 1400, 1401,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 90 LEU H 90 LEU HG 2.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1408, 1415, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 90 LEU H 90 LEU QQD 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1408, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 90 LEU H 91 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1408, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1438, 1439, 1440,
&end
#
# 90 LEU HA 90 LEU HG 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1410, 1415, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 90 LEU HA 90 LEU QQD 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1410, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 90 LEU HA 90 LEU QQD 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1410, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 90 LEU HA 91 MET H 2.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1410, 1427, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 90 LEU HA 91 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1410, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1438, 1439, 1440,
&end
#
# 90 LEU HG 91 MET H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1415, 1427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 LEU HG 91 MET HA 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1415, 1429, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 90 LEU QB 91 MET QE 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 1412, 1413,
igr2= 1438, 1439, 1440,
&end
#
# 90 LEU QQD 91 MET HA 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1429, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 91 MET H 91 MET QB 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1427, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 1431, 1432,
&end
#
# 91 MET HA 91 MET QE 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1429, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1438, 1439, 1440,
&end
#
# 91 MET HA 92 LEU H 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1429, 1444, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 91 MET HA 92 LEU QB 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1429, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 1448, 1449,
&end
#
# 91 MET QE 92 LEU H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1444, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 1438, 1439, 1440,
&end
#
# 91 MET QE 92 LEU QQD 6.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 1438, 1439, 1440,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 91 MET QG 91 MET QE 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 1434, 1435,
igr2= 1438, 1439, 1440,
&end
#
# 91 MET QG 92 LEU H 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1444, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 1434, 1435,
&end
#
# 91 MET QG 92 LEU QB 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 1434, 1435,
igr2= 1448, 1449,
&end
#
# 92 LEU H 92 LEU QB 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1444, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 1448, 1449,
&end
#
# 92 LEU H 92 LEU QQD 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1444, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU H 93 SER H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1444, 1463, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 92 LEU HA 92 LEU HG 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1446, 1451, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 92 LEU HA 92 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1446, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU HA 92 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1446, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU HA 93 SER H 3.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1446, 1463, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 92 LEU HA 96 ASP QB 6.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1446, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 1504, 1505,
&end
#
# 92 LEU HB- 92 LEU QQD 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 1448, 1449,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU HB- 93 SER H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1463, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 1448, 1449,
&end
#
# 92 LEU HB- 96 ASP HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1448, 1449,
igr2= 1504, 1505,
&end
#
# 92 LEU HB- 96 ASP HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1448, 1449,
igr2= 1504, 1505,
&end
#
# 92 LEU HB+ 92 LEU QQD 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 1448, 1449,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU HB+ 93 SER H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1463, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 1448, 1449,
&end
#
# 92 LEU HB+ 96 ASP HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1448, 1449,
igr2= 1504, 1505,
&end
#
# 92 LEU HB+ 96 ASP HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1448, 1449,
igr2= 1504, 1505,
&end
#
# 92 LEU HG 93 SER H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1451, 1463, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 92 LEU HG 96 ASP HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1451, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1504, 1505,
&end
#
# 92 LEU HG 96 ASP HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1451, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1504, 1505,
&end
#
# 92 LEU QQD 93 SER H 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1463, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU QQD 93 SER QB 7.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 1453, 1454, 1455, 1457, 1458, 1459,
igr2= 1467, 1468,
&end
#
# 92 LEU QQD 96 ASP H 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1500, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU QQD 96 ASP HA 7.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1502, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 92 LEU QQD 96 ASP QB 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 1453, 1454, 1455, 1457, 1458, 1459,
igr2= 1504, 1505,
&end
#
# 93 SER H 93 SER HB- 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1463, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 1467, 1468,
&end
#
# 93 SER H 93 SER HB+ 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1463, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 1467, 1468,
&end
#
# 93 SER H 95 ASP H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1463, 1488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 SER H 96 ASP H 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1463, 1500, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 93 SER H 96 ASP QB 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1463, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 1504, 1505,
&end
#
# 93 SER HA 94 PRO HG- 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1465, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 1478, 1479,
&end
#
# 93 SER HA 94 PRO HG+ 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1465, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 1478, 1479,
&end
#
# 93 SER HA 94 PRO QD 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1465, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 1475, 1476,
&end
#
# 93 SER HA 95 ASP H 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1465, 1488, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 93 SER QB 94 PRO QD 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 1467, 1468,
igr2= 1475, 1476,
&end
#
# 93 SER QB 94 PRO QG 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1467, 1468,
igr2= 1478, 1479,
&end
#
# 93 SER QB 95 ASP H 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1488, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 1467, 1468,
&end
#
# 93 SER QB 96 ASP H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1500, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1467, 1468,
&end
#
# 94 PRO HA 96 ASP H 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, 1500, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 94 PRO HA 97 ILE H 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, 1512, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 94 PRO HA 97 ILE HB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, 1516, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 PRO HA 97 ILE HG1- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1522, 1523,
&end
#
# 94 PRO HA 97 ILE HG1+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1522, 1523,
&end
#
# 94 PRO HA 97 ILE QD1 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 1525, 1526, 1527,
&end
#
# 94 PRO HA 97 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1518, 1519, 1520,
&end
#
# 94 PRO HB- 97 ILE QD1 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1481, 1482,
igr2= 1525, 1526, 1527,
&end
#
# 94 PRO HB+ 97 ILE QD1 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 1481, 1482,
igr2= 1525, 1526, 1527,
&end
#
# 94 PRO QB 95 ASP H 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1488, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 1481, 1482,
&end
#
# 94 PRO QB 95 ASP QB 6.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 1481, 1482,
igr2= 1492, 1493,
&end
#
# 94 PRO QB 97 ILE QG2 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 1481, 1482,
igr2= 1518, 1519, 1520,
&end
#
# 94 PRO QD 95 ASP H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1488, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 1475, 1476,
&end
#
# 94 PRO QD 95 ASP QB 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1475, 1476,
igr2= 1492, 1493,
&end
#
# 94 PRO QG 95 ASP H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1488, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 1478, 1479,
&end
#
# 94 PRO QG 95 ASP HA 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1490, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 1478, 1479,
&end
#
# 95 ASP H 95 ASP HB2 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1488, 1492, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 95 ASP H 95 ASP HB3 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1488, 1493, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 95 ASP H 96 ASP H 3.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1488, 1500, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 95 ASP H 97 ILE H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1488, 1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ASP H 97 ILE HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1488, 1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ASP HA 98 GLU QG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1490, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1538, 1539,
&end
#
# 95 ASP HA 98 GLU QB 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1490, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 1535, 1536,
&end
#
# 95 ASP HB2 96 ASP H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1492, 1500, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 95 ASP HB3 96 ASP H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1493, 1500, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 95 ASP QB 96 ASP HA 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 1492, 1493,
&end
#
# 96 ASP H 96 ASP HA 2.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1500, 1502, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 96 ASP H 96 ASP QB 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1500, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 1504, 1505,
&end
#
# 96 ASP H 97 ILE H 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1500, 1512, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 96 ASP H 97 ILE HB 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1500, 1516, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 96 ASP H 97 ILE HG1- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1500, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1522, 1523,
&end
#
# 96 ASP H 97 ILE HG1+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1500, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1522, 1523,
&end
#
# 96 ASP H 98 GLU QG 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1500, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1538, 1539,
&end
#
# 96 ASP HA 96 ASP QB 2.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1502, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2= 1504, 1505,
&end
#
# 96 ASP HA 98 GLU QG 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1502, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 1538, 1539,
&end
#
# 96 ASP HA 99 GLN HE2- 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1502, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 1558, 1559,
&end
#
# 96 ASP HA 99 GLN HE2+ 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1502, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 1558, 1559,
&end
#
# 96 ASP HA 99 GLN HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1502, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1553, 1554,
&end
#
# 96 ASP HA 99 GLN HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1502, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1553, 1554,
&end
#
# 96 ASP HA 99 GLN QB 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1502, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 1550, 1551,
&end
#
# 96 ASP HB- 97 ILE H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1512, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 1504, 1505,
&end
#
# 96 ASP HB+ 97 ILE H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1512, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 1504, 1505,
&end
#
# 96 ASP QB 97 ILE QG1 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 1504, 1505,
igr2= 1522, 1523,
&end
#
# 96 ASP QB 99 GLN H 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1546, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 1504, 1505,
&end
#
# 96 ASP QB 99 GLN QB 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 1504, 1505,
igr2= 1550, 1551,
&end
#
# 96 ASP QB 99 GLN QE2 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 1504, 1505,
igr2= 1558, 1559,
&end
#
# 97 ILE H 97 ILE HB 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, 1516, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 97 ILE H 97 ILE HG1- 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 1522, 1523,
&end
#
# 97 ILE H 97 ILE HG1+ 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 1522, 1523,
&end
#
# 97 ILE H 97 ILE QD1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1525, 1526, 1527,
&end
#
# 97 ILE H 97 ILE QG2 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 1518, 1519, 1520,
&end
#
# 97 ILE H 98 GLU H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, 1531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 ILE H 99 GLN H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, 1546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ILE HA 97 ILE QD1 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 1525, 1526, 1527,
&end
#
# 97 ILE HA 97 ILE QG2 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 1518, 1519, 1520,
&end
#
# 97 ILE HA 99 GLN H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, 1546, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 ILE HA 100 TRP H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, 1563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 ILE HA 100 TRP HD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, 1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ILE HA 100 TRP HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, 1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ILE HB 97 ILE QD1 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1516, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 1525, 1526, 1527,
&end
#
# 97 ILE HB 98 GLU H 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1516, 1531, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 97 ILE HB 100 TRP HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1516, 1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ILE QD1 100 TRP HZ2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1576, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1525, 1526, 1527,
&end
#
# 97 ILE QG1 100 TRP HE1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1573, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1522, 1523,
&end
#
# 97 ILE QG1 100 TRP HZ2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1576, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1522, 1523,
&end
#
# 97 ILE QG2 97 ILE HG1- 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 1518, 1519, 1520,
igr2= 1522, 1523,
&end
#
# 97 ILE QG2 97 ILE HG1+ 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 1518, 1519, 1520,
igr2= 1522, 1523,
&end
#
# 97 ILE QG2 97 ILE QD1 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 1518, 1519, 1520,
igr2= 1525, 1526, 1527,
&end
#
# 97 ILE QG2 98 GLU QB 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 1518, 1519, 1520,
igr2= 1535, 1536,
&end
#
# 97 ILE QG2 99 GLN H 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1546, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 1518, 1519, 1520,
&end
#
# 97 ILE QG2 100 TRP HD1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1571, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1518, 1519, 1520,
&end
#
# 97 ILE QG2 100 TRP HE1 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1573, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 1518, 1519, 1520,
&end
#
# 97 ILE QG2 100 TRP HZ2 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1576, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 1518, 1519, 1520,
&end
#
# 97 ILE QG2 101 PHE QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 1518, 1519, 1520,
igr2= 1591, 1592,
&end
#
# 98 GLU H 98 GLU QB 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1531, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 1535, 1536,
&end
#
# 98 GLU H 98 GLU QG 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1531, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 1538, 1539,
&end
#
# 98 GLU H 99 GLN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1531, 1546, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 GLU HA 98 GLU QG 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1533, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 1538, 1539,
&end
#
# 98 GLU HA 99 GLN HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1533, 1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLU HA 101 PHE H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1533, 1587, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 98 GLU QG 99 GLN H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1546, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 1538, 1539,
&end
#
# 99 GLN H 99 GLN QB 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1546, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 1550, 1551,
&end
#
# 99 GLN H 100 TRP HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1546, 1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLN HA 99 GLN HG- 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 1553, 1554,
&end
#
# 99 GLN HA 99 GLN HG+ 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 1553, 1554,
&end
#
# 99 GLN HA 99 GLN QB 2.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 1550, 1551,
&end
#
# 99 GLN HA 99 GLN QE2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1558, 1559,
&end
#
# 99 GLN HA 101 PHE H 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, 1587, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 99 GLN HA 101 PHE QD 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 1595, 1603,
&end
#
# 99 GLN HA 101 PHE QE 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1597, 1601,
&end
#
# 99 GLN HA 102 THR HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, 1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLN QB 99 GLN QE2 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1550, 1551,
igr2= 1558, 1559,
&end
#
# 99 GLN QB 99 GLN QE2 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1550, 1551,
igr2= 1558, 1559,
&end
#
# 99 GLN QB 100 TRP H 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1563, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 1550, 1551,
&end
#
# 99 GLN QB 100 TRP HA 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1565, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1550, 1551,
&end
#
# 99 GLN QB 100 TRP HD1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1571, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1550, 1551,
&end
#
# 99 GLN QB 102 THR QG2 6.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 1550, 1551,
igr2= 1613, 1614, 1615,
&end
#
# 99 GLN QE2 100 TRP H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1563, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1558, 1559,
&end
#
# 99 GLN QE2 100 TRP HA 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1565, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 1558, 1559,
&end
#
# 99 GLN QE2 100 TRP HE1 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1573, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1558, 1559,
&end
#
# 99 GLN QG 100 TRP H 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1563, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 1553, 1554,
&end
#
# 99 GLN QG 102 THR HB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1611, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1553, 1554,
&end
#
# 100 TRP H 100 TRP HB- 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1563, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 1567, 1568,
&end
#
# 100 TRP H 100 TRP HB+ 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1563, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 1567, 1568,
&end
#
# 100 TRP H 100 TRP HE1 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1563, 1573, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 100 TRP H 101 PHE QD 6.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1563, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 1595, 1603,
&end
#
# 100 TRP HA 100 TRP HD1 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1565, 1571, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 100 TRP HA 100 TRP HE3 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1565, 1582, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 100 TRP HA 101 PHE H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1565, 1587, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 100 TRP HA 102 THR H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1565, 1607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 TRP HA 102 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1565, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1613, 1614, 1615,
&end
#
# 100 TRP HA 103 GLU QG 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1565, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 1628, 1629,
&end
#
# 100 TRP HD1 101 PHE H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1571, 1587, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 100 TRP HD1 101 PHE QD 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1571, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1595, 1603,
&end
#
# 100 TRP HE1 101 PHE H 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1573, 1587, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 100 TRP HE1 101 PHE QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1573, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1591, 1592,
&end
#
# 100 TRP QB 101 PHE H 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1587, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 1567, 1568,
&end
#
# 101 PHE H 101 PHE HB- 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1587, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 1591, 1592,
&end
#
# 101 PHE H 101 PHE HB+ 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1587, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 1591, 1592,
&end
#
# 101 PHE H 101 PHE QD 3.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1587, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 1595, 1603,
&end
#
# 101 PHE H 102 THR QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1587, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1613, 1614, 1615,
&end
#
# 101 PHE HA 101 PHE HB- 2.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1589, -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
igr2= 1591, 1592,
&end
#
# 101 PHE HA 101 PHE HB+ 2.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1589, -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
igr2= 1591, 1592,
&end
#
# 101 PHE HA 101 PHE QD 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1589, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1595, 1603,
&end
#
# 101 PHE HA 102 THR H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1589, 1607, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 101 PHE HA 102 THR HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1589, 1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 PHE HA 102 THR QG2 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1589, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 1613, 1614, 1615,
&end
#
# 101 PHE HA 103 GLU H 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1589, 1621, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 101 PHE QB 102 THR H 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1607, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 1591, 1592,
&end
#
# 101 PHE QD 102 THR H 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1607, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 1595, 1603,
&end
#
# 101 PHE QD 102 THR HA 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1609, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1595, 1603,
&end
#
# 101 PHE QD 102 THR QG2 6.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 1595, 1603,
igr2= 1613, 1614, 1615,
&end
#
# 101 PHE QE 102 THR HB 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1611, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 1597, 1601,
&end
#
# 102 THR H 102 THR HB 3.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, 1611, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 102 THR H 102 THR QG2 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 1613, 1614, 1615,
&end
#
# 102 THR H 103 GLU H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, 1621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 THR H 103 GLU HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1628, 1629,
&end
#
# 102 THR H 103 GLU HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1628, 1629,
&end
#
# 102 THR H 103 GLU QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1607, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1625, 1626,
&end
#
# 102 THR HA 102 THR QG2 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1609, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 1613, 1614, 1615,
&end
#
# 102 THR HB 103 GLU H 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1611, 1621, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 102 THR QG2 103 GLU H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1621, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 1613, 1614, 1615,
&end
#
# 102 THR QG2 103 GLU HA 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1623, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 1613, 1614, 1615,
&end
#
# 102 THR QG2 103 GLU HB- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1613, 1614, 1615,
igr2= 1625, 1626,
&end
#
# 102 THR QG2 103 GLU HB+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1613, 1614, 1615,
igr2= 1625, 1626,
&end
#
# 102 THR QG2 103 GLU QG 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 1613, 1614, 1615,
igr2= 1628, 1629,
&end
#
# 102 THR QG2 104 ASP H 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1636, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 1613, 1614, 1615,
&end
#
# 103 GLU H 103 GLU HA 2.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1621, 1623, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 103 GLU H 103 GLU QB 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1621, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 1625, 1626,
&end
#
# 103 GLU H 103 GLU QG 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1621, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 1628, 1629,
&end
#
# 103 GLU HA 103 GLU QG 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1623, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 1628, 1629,
&end
#
# 103 GLU HA 104 ASP H 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1623, 1636, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 103 GLU HB- 104 ASP H 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1636, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 1625, 1626,
&end
#
# 103 GLU HB+ 104 ASP H 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1636, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 1625, 1626,
&end
#
# 104 ASP H 104 ASP HB- 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1636, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 1640, 1641,
&end
#
# 104 ASP H 104 ASP HB+ 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1636, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 1640, 1641,
&end
#
# 104 ASP H 105 PRO QD 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1636, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 1649, 1650,
&end
#
# 104 ASP HA 105 PRO QB 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1638, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 1655, 1656,
&end
#
# 104 ASP HA 105 PRO QD 2.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1638, -1, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,
igr2= 1649, 1650,
&end
#
# 104 ASP HA 105 PRO QG 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1638, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 1652, 1653,
&end
#
# 104 ASP QB 105 PRO QD 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1640, 1641,
igr2= 1649, 1650,
&end
#
# 104 ASP QB 105 PRO QD 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1640, 1641,
igr2= 1649, 1650,
&end
#
# 104 ASP QB 106 GLY H 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1662, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 1640, 1641,
&end
#
# 105 PRO QD 106 GLY H 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1662, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 1649, 1650,
&end
#
# 105 PRO QG 106 GLY H 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1662, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 1652, 1653,
&end
#
# 105 PRO QG 106 GLY QA 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 1652, 1653,
igr2= 1664, 1665,
&end
#
# 106 GLY QA 107 PRO QB 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 1664, 1665,
igr2= 1676, 1677,
&end
#
# 106 GLY QA 107 PRO QD 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 1664, 1665,
igr2= 1670, 1671,
&end
#
# 106 GLY QA 107 PRO QG 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 1664, 1665,
igr2= 1673, 1674,
&end
#
# 107 PRO QB 108 ASP H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1683, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 1676, 1677,
&end
#
# 107 PRO QD 108 ASP H 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1683, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 1670, 1671,
&end
#
# 107 PRO QG 108 ASP H 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1683, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 1673, 1674,
&end
#
# 108 ASP H 108 ASP QB 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 1687, 1688,
&end
#
# 10 LEU QQD 66 PHE QE 7.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 139, 140, 141, 143, 144, 145,
igr2= 1043, 1047,
&end
#
# 10 LEU QQD 70 TRP HD1 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1103, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 139, 140, 141, 143, 144, 145,
&end
#
# 13 LEU HG 97 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1518, 1519, 1520,
&end
#
# 13 LEU QB 97 ILE QG2 6.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 182, 183,
igr2= 1518, 1519, 1520,
&end
#
# 13 LEU QQD 66 PHE HD2 7.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1049, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 70 TRP HH2 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1110, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 70 TRP HZ2 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1108, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 97 ILE QD1 8.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 187, 188, 189, 191, 192, 193,
igr2= 1525, 1526, 1527,
&end
#
# 13 LEU QQD 100 TRP HD1 6.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1571, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 100 TRP HZ2 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1576, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 13 LEU QQD 100 TRP HZ3 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1580, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 187, 188, 189, 191, 192, 193,
&end
#
# 14 LEU HG 66 PHE QE 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1043, 1047,
&end
#
# 14 LEU QQD 66 PHE HD1 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1041, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 206, 207, 208, 210, 211, 212,
&end
#
# 14 LEU QQD 66 PHE QB 6.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 206, 207, 208, 210, 211, 212,
igr2= 1037, 1038,
&end
#
# 14 LEU QQD 66 PHE QE 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 206, 207, 208, 210, 211, 212,
igr2= 1043, 1047,
&end
#
# 14 LEU QQD 101 PHE QD 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 206, 207, 208, 210, 211, 212,
igr2= 1595, 1603,
&end
#
# 17 LEU HA 97 ILE QD1 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 1525, 1526, 1527,
&end
#
# 17 LEU HA 97 ILE QG2 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 1518, 1519, 1520,
&end
#
# 17 LEU HG 97 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1518, 1519, 1520,
&end
#
# 17 LEU QB 97 ILE QG2 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 258, 259,
igr2= 1518, 1519, 1520,
&end
#
# 17 LEU QQD 94 PRO HA 6.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1484, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU QQD 94 PRO QB 7.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 263, 264, 265, 267, 268, 269,
igr2= 1481, 1482,
&end
#
# 17 LEU QQD 97 ILE HB 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1516, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU QQD 100 TRP HD1 7.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1571, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU QQD 101 PHE HZ 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1599, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 17 LEU QQD 101 PHE QD 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 263, 264, 265, 267, 268, 269,
igr2= 1595, 1603,
&end
#
# 17 LEU QQD 101 PHE QE 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 263, 264, 265, 267, 268, 269,
igr2= 1597, 1601,
&end
#
# 30 LEU QQD 91 MET QE 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 466, 467, 468, 470, 471, 472,
igr2= 1438, 1439, 1440,
&end
#
# 30 LEU QQD 91 MET QG 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 466, 467, 468, 470, 471, 472,
igr2= 1434, 1435,
&end
#
# 39 LEU QQD 70 TRP HE3 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1114, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 39 LEU QQD 70 TRP HH2 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1110, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 39 LEU QQD 70 TRP HZ3 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1112, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 39 LEU QQD 70 TRP QB 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 1099, 1100,
&end
#
# 42 ALA HA 73 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 42 ALA HA 73 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 42 ALA QB 73 LEU QQD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 656, 657, 658,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 43 PHE HA 73 LEU QQD 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 43 PHE HD2 73 LEU QQD 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 43 PHE HZ 92 LEU QQD 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 43 PHE QE 92 LEU HG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 672, 676,
&end
#
# 43 PHE QE 92 LEU QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 672, 676,
igr2= 1448, 1449,
&end
#
# 43 PHE QE 92 LEU QQD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 672, 676,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 43 PHE QE 92 LEU QQD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 672, 676,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 44 ILE QD1 87 MET QE 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 695, 696, 697,
igr2= 1378, 1379, 1380,
&end
#
# 44 ILE QD1 87 MET QG 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 695, 696, 697,
igr2= 1374, 1375,
&end
#
# 44 ILE QG2 87 MET QE 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 688, 689, 690,
igr2= 1378, 1379, 1380,
&end
#
# 44 ILE QG2 87 MET QG 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 688, 689, 690,
igr2= 1374, 1375,
&end
#
# 46 GLN QG 73 LEU QQD 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 730, 731,
igr2= 1169, 1170, 1171, 1173, 1174, 1175,
&end
#
# 48 THR HB 90 LEU QQD 6.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 48 THR QG2 90 LEU QQD 8.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 770, 771, 772,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 51 TYR QB 90 LEU QQD 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 814, 815,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 51 TYR QB 92 LEU QQD 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 814, 815,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 51 TYR QD 87 MET QE 7.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 818, 827,
igr2= 1378, 1379, 1380,
&end
#
# 51 TYR QD 90 LEU HB- 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 818, 827,
igr2= 1412, 1413,
&end
#
# 51 TYR QD 90 LEU HB+ 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 818, 827,
igr2= 1412, 1413,
&end
#
# 51 TYR QD 90 LEU HG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1415, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 818, 827,
&end
#
# 51 TYR QD 90 LEU QQD 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 818, 827,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 51 TYR QD 92 LEU QQD 6.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 818, 827,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
#
# 51 TYR QE 87 MET QE 7.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 820, 825,
igr2= 1378, 1379, 1380,
&end
#
# 51 TYR QE 90 LEU HA 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1410, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 820, 825,
&end
#
# 51 TYR QE 90 LEU HB- 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 820, 825,
igr2= 1412, 1413,
&end
#
# 51 TYR QE 90 LEU HB+ 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 820, 825,
igr2= 1412, 1413,
&end
#
# 51 TYR QE 90 LEU QQD 6.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 820, 825,
igr2= 1417, 1418, 1419, 1421, 1422, 1423,
&end
#
# 51 TYR QE 91 MET QE 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 820, 825,
igr2= 1438, 1439, 1440,
&end
#
# 51 TYR QE 92 LEU QQD 6.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 820, 825,
igr2= 1453, 1454, 1455, 1457, 1458, 1459,
&end
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