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 |
|
|
144534 |
2kje   |
16318 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 1 SER HA 2 PRO HD+ 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0,
igr2= 14, 15,
&end
#
# 1 SER HA 2 PRO HD- 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 14, 15,
&end
#
# 1 SER HB+ 4 GLU- QB 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 6, 7,
igr2= 48, 49,
&end
#
# 1 SER HB- 4 GLU- QB 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 6, 7,
igr2= 48, 49,
&end
#
# 1 SER QB 4 GLU- H 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 6, 7,
&end
#
# 1 SER QB 4 GLU- HA 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 6, 7,
&end
#
# 1 SER HA 4 GLU- QB 6.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 48, 49,
&end
#
# 2 PRO HB+ 3 GLN H 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 20, 21,
&end
#
# 2 PRO QG 3 GLN H 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 17, 18,
&end
#
# 3 GLN HA 3 GLN QG 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 34, 35,
&end
#
# 3 GLN H 3 GLN QG 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 34, 35,
&end
#
# 3 GLN QG 6 ARG+ H 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 34, 35,
&end
#
# 3 GLN QB 6 ARG+ H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 31, 32,
&end
#
# 3 GLN H 6 ARG+ H 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 27, 70, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 4 GLU- HA 4 GLU- QB 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 48, 49,
&end
#
# 4 GLU- QB 4 GLU- QG 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr1= 48, 49,
igr2= 51, 52,
&end
#
# 4 GLU- HA 4 GLU- QG 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 51, 52,
&end
#
# 4 GLU- H 4 GLU- QG 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 51, 52,
&end
#
# 4 GLU- H 4 GLU- QB 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 48, 49,
&end
#
# 4 GLU- QG 5 SER HA 6.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 51, 52,
&end
#
# 4 GLU- QB 5 SER H 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 48, 49,
&end
#
# 4 GLU- QB 6 ARG+ H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 48, 49,
&end
#
# 4 GLU- HA 7 ARG+ QD 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 104, 105,
&end
#
# 4 GLU- QG 7 ARG+ QD 7.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 51, 52,
igr2= 104, 105,
&end
#
# 4 GLU- HA 7 ARG+ H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 46, 94, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 4 GLU- QG 7 ARG+ H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 51, 52,
&end
#
# 4 GLU- H 7 ARG+ QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 98, 99,
&end
#
# 4 GLU- QB 8 LEU QQD 6.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 48, 49,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 4 GLU- QB 8 LEU QQD 6.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 48, 49,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 4 GLU- QG 8 LEU HB- 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 51, 52,
igr2= 122, 123,
&end
#
# 4 GLU- QG 8 LEU QQD 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 51, 52,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 4 GLU- H 8 LEU QQD 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 5 SER HA 5 SER QB 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 63, 64,
&end
#
# 5 SER QB 6 ARG+ H 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 63, 64,
&end
#
# 5 SER HA 8 LEU QQD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 5 SER HA 8 LEU QQD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 5 SER HA 8 LEU HB- 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 122, 123,
&end
#
# 5 SER QB 8 LEU HB- 6.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 63, 64,
igr2= 122, 123,
&end
#
# 6 ARG+ H 8 LEU QQD 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 7 ARG+ H 7 ARG+ QD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 104, 105,
&end
#
# 7 ARG+ H 7 ARG+ QB 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 98, 99,
&end
#
# 7 ARG+ H 7 ARG+ HG+ 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 101, 102,
&end
#
# 7 ARG+ H 7 ARG+ HG- 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 101, 102,
&end
#
# 7 ARG+ QD 8 LEU H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 104, 105,
&end
#
# 7 ARG+ QB 8 LEU H 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 98, 99,
&end
#
# 7 ARG+ H 8 LEU HB- 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 122, 123,
&end
#
# 7 ARG+ QD 8 LEU HA 6.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 104, 105,
&end
#
# 7 ARG+ HA 10 ILE QD1 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 161, 162, 163,
&end
#
# 7 ARG+ QD 11 GLN HE2- 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 104, 105,
igr2= 179, 180,
&end
#
# 7 ARG+ QB 11 GLN HE2- 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 98, 99,
igr2= 179, 180,
&end
#
# 7 ARG+ QG 11 GLN HE2- 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 101, 102,
igr2= 179, 180,
&end
#
# 7 ARG+ QG 11 GLN HE2+ 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 101, 102,
igr2= 179, 180,
&end
#
# 7 ARG+ QD 11 GLN HE2+ 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 104, 105,
igr2= 179, 180,
&end
#
# 7 ARG+ QG 11 GLN H 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 101, 102,
&end
#
# 7 ARG+ QB 66 TYR QE 7.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr1= 98, 99,
igr2= 1022, 1027,
&end
#
# 8 LEU HA 8 LEU QQD 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 8 LEU H 8 LEU HB+ 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 122, 123,
&end
#
# 8 LEU H 8 LEU HB- 3.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2= 122, 123,
&end
#
# 8 LEU H 8 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 8 LEU HB+ 8 LEU HG 2.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr1= 122, 123,
&end
#
# 8 LEU HB- 8 LEU QQD 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 122, 123,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 8 LEU HB- 8 LEU QQD 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 122, 123,
igr2= 127, 128, 129, 131, 132, 133,
&end
#
# 8 LEU HB+ 9 SER H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 122, 123,
&end
#
# 8 LEU HB- 9 SER H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 122, 123,
&end
#
# 8 LEU QQD 9 SER H 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 127, 128, 129, 131, 132, 133,
&end
#
# 8 LEU HA 10 ILE H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, 148, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 8 LEU QQD 11 GLN HG+ 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 127, 128, 129, 131, 132, 133,
igr2= 174, 175,
&end
#
# 8 LEU QQD 11 GLN HG+ 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 127, 128, 129, 131, 132, 133,
igr2= 174, 175,
&end
#
# 8 LEU QQD 11 GLN HG- 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 127, 128, 129, 131, 132, 133,
igr2= 174, 175,
&end
#
# 8 LEU QQD 11 GLN HG- 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 127, 128, 129, 131, 132, 133,
igr2= 174, 175,
&end
#
# 8 LEU HB+ 11 GLN HG- 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 122, 123,
igr2= 174, 175,
&end
#
# 8 LEU HA 11 GLN HG- 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 174, 175,
&end
#
# 8 LEU H 11 GLN HE2+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 179, 180,
&end
#
# 8 LEU QQD 11 GLN HE2- 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 127, 128, 129, 131, 132, 133,
igr2= 179, 180,
&end
#
# 8 LEU QQD 11 GLN HE2+ 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 127, 128, 129, 131, 132, 133,
igr2= 179, 180,
&end
#
# 8 LEU HG 11 GLN HE2+ 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 179, 180,
&end
#
# 8 LEU HA 11 GLN H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 120, 167, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 8 LEU QQD 11 GLN H 7.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 127, 128, 129, 131, 132, 133,
&end
#
# 9 SER QB 10 ILE QG1 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 141, 142,
igr2= 158, 159,
&end
#
# 9 SER H 10 ILE QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 154, 155, 156,
&end
#
# 9 SER HA 12 ARG+ QB 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 188, 189,
&end
#
# 9 SER QB 12 ARG+ QB 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 141, 142,
igr2= 188, 189,
&end
#
# 9 SER QB 13 CYS QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 141, 142,
igr2= 212, 213,
&end
#
# 9 SER HA 107 ALA H 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 139, 1625, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 9 SER HA 107 ALA HA 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 139, 1627, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 9 SER HB+ 107 ALA QB 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 141, 142,
igr2= 1629, 1630, 1631,
&end
#
# 9 SER HA 107 ALA QB 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1629, 1630, 1631,
&end
#
# 9 SER HB- 107 ALA QB 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 141, 142,
igr2= 1629, 1630, 1631,
&end
#
# 9 SER HB- 110 GLN HG+ 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 141, 142,
igr2= 1669, 1670,
&end
#
# 9 SER HB+ 110 GLN HG+ 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 141, 142,
igr2= 1669, 1670,
&end
#
# 9 SER QB 110 GLN HE2- 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 141, 142,
igr2= 1674, 1675,
&end
#
# 9 SER QB 110 GLN HE2+ 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 141, 142,
igr2= 1674, 1675,
&end
#
# 9 SER HB- 111 ILE QD1 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 141, 142,
igr2= 1692, 1693, 1694,
&end
#
# 9 SER HB+ 111 ILE QD1 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 141, 142,
igr2= 1692, 1693, 1694,
&end
#
# 9 SER QB 111 ILE QD1 6.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 141, 142,
igr2= 1692, 1693, 1694,
&end
#
# 9 SER QB 124 ILE QG2 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 141, 142,
igr2= 1878, 1879, 1880,
&end
#
# 10 ILE QG2 10 ILE QD1 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 154, 155, 156,
igr2= 161, 162, 163,
&end
#
# 10 ILE HA 10 ILE QG2 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 154, 155, 156,
&end
#
# 10 ILE HA 10 ILE QD1 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 161, 162, 163,
&end
#
# 10 ILE H 10 ILE HB 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 10 ILE H 10 ILE QG2 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 154, 155, 156,
&end
#
# 10 ILE QG2 11 GLN HE2- 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 154, 155, 156,
igr2= 179, 180,
&end
#
# 10 ILE HB 11 GLN H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 10 ILE QG2 11 GLN H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 154, 155, 156,
&end
#
# 10 ILE QG2 11 GLN HA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 154, 155, 156,
&end
#
# 10 ILE QG2 13 CYS QB 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 154, 155, 156,
igr2= 212, 213,
&end
#
# 10 ILE HA 13 CYS HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 212, 213,
&end
#
# 10 ILE HA 13 CYS HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 212, 213,
&end
#
# 10 ILE H 13 CYS QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 212, 213,
&end
#
# 10 ILE QG2 14 ILE QD1 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 154, 155, 156,
igr2= 232, 233, 234,
&end
#
# 10 ILE HA 14 ILE QD1 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 232, 233, 234,
&end
#
# 10 ILE QG2 14 ILE HB 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 154, 155, 156,
&end
#
# 10 ILE QG2 63 LEU HG 6.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 154, 155, 156,
&end
#
# 10 ILE QG2 66 TYR QD 7.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 154, 155, 156,
igr2= 1020, 1029,
&end
#
# 10 ILE QG2 66 TYR QE 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 154, 155, 156,
igr2= 1022, 1027,
&end
#
# 10 ILE QD1 66 TYR QE 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 161, 162, 163,
igr2= 1022, 1027,
&end
#
# 10 ILE QD1 66 TYR QD 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 161, 162, 163,
igr2= 1020, 1029,
&end
#
# 10 ILE QD1 69 LYS+ QE 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 161, 162, 163,
igr2= 1073, 1074,
&end
#
# 10 ILE HA 111 ILE QD1 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 1692, 1693, 1694,
&end
#
# 10 ILE QG2 126 LEU QQD 7.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 154, 155, 156,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 10 ILE QG1 126 LEU QQD 6.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 158, 159,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 11 GLN H 11 GLN HE2- 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 179, 180,
&end
#
# 11 GLN H 11 GLN HE2+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 179, 180,
&end
#
# 11 GLN HG- 11 GLN HE2- 3.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 174, 175,
igr2= 179, 180,
&end
#
# 11 GLN QB 11 GLN HE2- 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 171, 172,
igr2= 179, 180,
&end
#
# 11 GLN H 11 GLN HG- 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 174, 175,
&end
#
# 11 GLN H 11 GLN QB 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 171, 172,
&end
#
# 11 GLN H 11 GLN HG+ 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 174, 175,
&end
#
# 11 GLN HA 11 GLN HG- 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 174, 175,
&end
#
# 11 GLN HG+ 12 ARG+ QD 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 174, 175,
igr2= 194, 195,
&end
#
# 11 GLN HG+ 12 ARG+ HG- 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 174, 175,
igr2= 191, 192,
&end
#
# 11 GLN HG- 12 ARG+ HG- 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 174, 175,
igr2= 191, 192,
&end
#
# 11 GLN HG- 12 ARG+ HG+ 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 174, 175,
igr2= 191, 192,
&end
#
# 11 GLN HG+ 12 ARG+ HA 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 174, 175,
&end
#
# 11 GLN H 12 ARG+ H 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 11 GLN HG- 12 ARG+ H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 174, 175,
&end
#
# 11 GLN QB 12 ARG+ H 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 171, 172,
&end
#
# 11 GLN HA 14 ILE QD1 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 232, 233, 234,
&end
#
# 11 GLN HA 14 ILE QG2 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 225, 226, 227,
&end
#
# 11 GLN HA 14 ILE HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, 221, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 11 GLN HA 14 ILE H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, 219, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 11 GLN HA 14 ILE HB 3.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 169, 223, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 12 ARG+ H 12 ARG+ QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 194, 195,
&end
#
# 12 ARG+ H 12 ARG+ HG+ 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 191, 192,
&end
#
# 12 ARG+ H 12 ARG+ HG- 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 191, 192,
&end
#
# 12 ARG+ HA 12 ARG+ QD 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 194, 195,
&end
#
# 12 ARG+ HA 12 ARG+ HG- 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 191, 192,
&end
#
# 12 ARG+ H 14 ILE H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 184, 219, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 12 ARG+ QB 14 ILE H 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 188, 189,
&end
#
# 12 ARG+ QD 104 ASN H 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1581, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 194, 195,
&end
#
# 12 ARG+ HG+ 104 ASN HA 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1583, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 191, 192,
&end
#
# 12 ARG+ QD 104 ASN HA 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1583, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 194, 195,
&end
#
# 12 ARG+ HG- 104 ASN HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1583, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 191, 192,
&end
#
# 12 ARG+ QD 106 GLU- H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1610, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 194, 195,
&end
#
# 12 ARG+ QD 107 ALA H 6.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1625, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 194, 195,
&end
#
# 12 ARG+ QB 107 ALA HA 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1627, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 188, 189,
&end
#
# 12 ARG+ HG+ 107 ALA QB 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 191, 192,
igr2= 1629, 1630, 1631,
&end
#
# 12 ARG+ QD 107 ALA QB 7.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 194, 195,
igr2= 1629, 1630, 1631,
&end
#
# 13 CYS QB 14 ILE QD1 6.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 212, 213,
igr2= 232, 233, 234,
&end
#
# 13 CYS QB 14 ILE QG2 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 212, 213,
igr2= 225, 226, 227,
&end
#
# 13 CYS HB+ 14 ILE H 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 212, 213,
&end
#
# 13 CYS HB- 14 ILE H 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 212, 213,
&end
#
# 13 CYS HA 16 SER HA 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, 257, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 13 CYS QB 16 SER QB 6.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 212, 213,
igr2= 259, 260,
&end
#
# 13 CYS QB 17 LEU QQD 8.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 212, 213,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 13 CYS HA 36 MET QE 6.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 553, 554, 555,
&end
#
# 13 CYS HB- 36 MET QE 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 212, 213,
igr2= 553, 554, 555,
&end
#
# 13 CYS HB+ 36 MET QE 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 212, 213,
igr2= 553, 554, 555,
&end
#
# 13 CYS HB- 63 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 212, 213,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 13 CYS HB+ 63 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 212, 213,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 13 CYS HB+ 63 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 212, 213,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 13 CYS HB- 63 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 212, 213,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 13 CYS HB- 107 ALA QB 6.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 212, 213,
igr2= 1629, 1630, 1631,
&end
#
# 13 CYS HB+ 107 ALA QB 6.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 212, 213,
igr2= 1629, 1630, 1631,
&end
#
# 13 CYS HA 108 VAL H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, 1635, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 CYS QB 108 VAL H 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1635, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 212, 213,
&end
#
# 13 CYS QB 108 VAL HA 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1637, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 212, 213,
&end
#
# 13 CYS QB 108 VAL HB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1639, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 212, 213,
&end
#
# 13 CYS QB 108 VAL QQG 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 212, 213,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 13 CYS HB- 111 ILE QG2 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 212, 213,
igr2= 1685, 1686, 1687,
&end
#
# 13 CYS HB+ 111 ILE QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 212, 213,
igr2= 1685, 1686, 1687,
&end
#
# 13 CYS HB- 111 ILE QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 212, 213,
igr2= 1685, 1686, 1687,
&end
#
# 13 CYS HA 111 ILE QD1 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 1692, 1693, 1694,
&end
#
# 13 CYS HB+ 111 ILE QD1 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 212, 213,
igr2= 1692, 1693, 1694,
&end
#
# 13 CYS HB- 111 ILE QD1 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 212, 213,
igr2= 1692, 1693, 1694,
&end
#
# 13 CYS QB 111 ILE QG2 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 212, 213,
igr2= 1685, 1686, 1687,
&end
#
# 13 CYS QB 111 ILE QD1 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 212, 213,
igr2= 1692, 1693, 1694,
&end
#
# 14 ILE QG2 14 ILE QD1 7.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 225, 226, 227,
igr2= 232, 233, 234,
&end
#
# 14 ILE HA 14 ILE QG1 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 229, 230,
&end
#
# 14 ILE HA 14 ILE QD1 7.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr2= 232, 233, 234,
&end
#
# 14 ILE HA 14 ILE QG2 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 225, 226, 227,
&end
#
# 14 ILE H 14 ILE HB 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 14 ILE H 14 ILE QG2 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 225, 226, 227,
&end
#
# 14 ILE H 14 ILE QD1 6.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 232, 233, 234,
&end
#
# 14 ILE QG2 15 GLN HG- 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 225, 226, 227,
igr2= 245, 246,
&end
#
# 14 ILE QG2 15 GLN HG+ 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 225, 226, 227,
igr2= 245, 246,
&end
#
# 14 ILE QG2 15 GLN QB 7.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 225, 226, 227,
igr2= 242, 243,
&end
#
# 14 ILE QG2 15 GLN HA 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 225, 226, 227,
&end
#
# 14 ILE HB 15 GLN H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 223, 238, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 ILE QG2 15 GLN H 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 225, 226, 227,
&end
#
# 14 ILE QG2 15 GLN HE2- 7.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 225, 226, 227,
igr2= 250, 251,
&end
#
# 14 ILE H 15 GLN H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, 238, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 14 ILE HA 16 SER H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, 255, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 14 ILE QD1 17 LEU QQD 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 232, 233, 234,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 14 ILE QG2 17 LEU HB+ 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 225, 226, 227,
igr2= 270, 271,
&end
#
# 14 ILE QG1 17 LEU QQD 7.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1= 229, 230,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 14 ILE HA 17 LEU HB- 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 270, 271,
&end
#
# 14 ILE HA 17 LEU HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, 268, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 14 ILE HA 17 LEU H 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, 266, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 14 ILE QG2 17 LEU H 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 225, 226, 227,
&end
#
# 14 ILE H 17 LEU HB+ 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 270, 271,
&end
#
# 14 ILE HA 17 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 14 ILE HA 18 VAL H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, 285, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 14 ILE QG2 18 VAL H 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 225, 226, 227,
&end
#
# 14 ILE H 36 MET QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 553, 554, 555,
&end
#
# 14 ILE QG2 36 MET QE 8.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 225, 226, 227,
igr2= 553, 554, 555,
&end
#
# 14 ILE QD1 63 LEU HB+ 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 232, 233, 234,
igr2= 975, 976,
&end
#
# 14 ILE HA 63 LEU HB+ 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 975, 976,
&end
#
# 14 ILE QG1 63 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= 229, 230,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 14 ILE HA 63 LEU QQD 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 14 ILE H 63 LEU HG 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, 978, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 14 ILE H 63 LEU QQD 6.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 14 ILE HA 63 LEU QQD 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 14 ILE QD1 66 TYR HA 7.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1014, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 232, 233, 234,
&end
#
# 14 ILE QD1 66 TYR H 7.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1012, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 232, 233, 234,
&end
#
# 14 ILE QD1 66 TYR HB- 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 232, 233, 234,
igr2= 1016, 1017,
&end
#
# 14 ILE QG1 66 TYR HB+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 229, 230,
igr2= 1016, 1017,
&end
#
# 14 ILE QD1 66 TYR HB+ 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 232, 233, 234,
igr2= 1016, 1017,
&end
#
# 14 ILE HB 66 TYR HB+ 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 1016, 1017,
&end
#
# 14 ILE QG2 66 TYR QD 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 225, 226, 227,
igr2= 1020, 1029,
&end
#
# 14 ILE QD1 66 TYR QD 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 232, 233, 234,
igr2= 1020, 1029,
&end
#
# 14 ILE QG1 66 TYR QD 6.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 229, 230,
igr2= 1020, 1029,
&end
#
# 14 ILE HB 66 TYR QD 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 1020, 1029,
&end
#
# 14 ILE QD1 67 HIS QB 6.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 232, 233, 234,
igr2= 1037, 1038,
&end
#
# 14 ILE QD1 67 HIS HB- 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 232, 233, 234,
igr2= 1037, 1038,
&end
#
# 14 ILE QD1 67 HIS QB 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 232, 233, 234,
igr2= 1037, 1038,
&end
#
# 14 ILE QD1 67 HIS HB+ 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 232, 233, 234,
igr2= 1037, 1038,
&end
#
# 14 ILE QG2 67 HIS HA 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1035, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 225, 226, 227,
&end
#
# 14 ILE QG2 67 HIS QB 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 225, 226, 227,
igr2= 1037, 1038,
&end
#
# 14 ILE HA 67 HIS QB 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 1037, 1038,
&end
#
# 14 ILE HB 67 HIS QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1037, 1038,
&end
#
# 14 ILE QG2 67 HIS HD2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1046, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 225, 226, 227,
&end
#
# 14 ILE QG2 78 VAL QQG 9.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.24, r4= 9.74,
igr1= 225, 226, 227,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 14 ILE HA 108 VAL QQG 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 15 GLN H 15 GLN HG- 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 245, 246,
&end
#
# 15 GLN H 15 GLN HG+ 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 245, 246,
&end
#
# 15 GLN H 15 GLN QB 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 242, 243,
&end
#
# 15 GLN HG+ 15 GLN HE2- 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 245, 246,
igr2= 250, 251,
&end
#
# 15 GLN QB 15 GLN HE2- 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 242, 243,
igr2= 250, 251,
&end
#
# 15 GLN HG+ 15 GLN HE2+ 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 245, 246,
igr2= 250, 251,
&end
#
# 15 GLN H 15 GLN HE2+ 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 250, 251,
&end
#
# 15 GLN HG+ 16 SER H 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 245, 246,
&end
#
# 15 GLN HB+ 16 SER H 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 242, 243,
&end
#
# 15 GLN HB- 16 SER H 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 242, 243,
&end
#
# 15 GLN HA 18 VAL HA 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 287, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 15 GLN HA 18 VAL QQG 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 15 GLN QB 18 VAL QQG 7.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 242, 243,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 15 GLN HA 18 VAL HB 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 289, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 15 GLN HA 18 VAL QQG 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 15 GLN H 18 VAL H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 238, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 15 GLN HA 18 VAL H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 285, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 15 GLN HE2- 18 VAL QQG 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 250, 251,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 15 GLN HA 19 HIS QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 305, 306,
&end
#
# 15 GLN HA 19 HIS H 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 301, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 15 GLN HA 104 ASN QD2 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1590, 1591,
&end
#
# 15 GLN QB 104 ASN QD2 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 242, 243,
igr2= 1590, 1591,
&end
#
# 16 SER H 16 SER QB 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 259, 260,
&end
#
# 16 SER HB+ 17 LEU HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 259, 260,
igr2= 270, 271,
&end
#
# 16 SER HB- 17 LEU HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 259, 260,
igr2= 270, 271,
&end
#
# 16 SER H 17 LEU H 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, 266, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 16 SER H 17 LEU HB+ 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 270, 271,
&end
#
# 16 SER H 17 LEU HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 270, 271,
&end
#
# 16 SER H 18 VAL H 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, 285, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 16 SER HA 18 VAL H 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, 285, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 16 SER H 18 VAL QQG 7.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 16 SER HA 19 HIS QB 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 305, 306,
&end
#
# 16 SER H 19 HIS H 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, 301, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 16 SER HA 19 HIS H 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, 301, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 16 SER HA 19 HIS HD2 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, 314, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 16 SER HB+ 20 ALA QB 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 259, 260,
igr2= 322, 323, 324,
&end
#
# 16 SER HB- 20 ALA QB 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 259, 260,
igr2= 322, 323, 324,
&end
#
# 16 SER HA 36 MET QE 6.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 553, 554, 555,
&end
#
# 16 SER HB- 36 MET QE 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 259, 260,
igr2= 553, 554, 555,
&end
#
# 16 SER HB+ 36 MET QE 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 259, 260,
igr2= 553, 554, 555,
&end
#
# 16 SER H 36 MET QE 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 553, 554, 555,
&end
#
# 16 SER H 104 ASN HD2+ 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1590, 1591,
&end
#
# 16 SER H 104 ASN HD2- 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1590, 1591,
&end
#
# 16 SER H 104 ASN QB 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 1585, 1586,
&end
#
# 16 SER H 104 ASN QD2 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 1590, 1591,
&end
#
# 16 SER QB 104 ASN QB 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 259, 260,
igr2= 1585, 1586,
&end
#
# 16 SER H 108 VAL QQG 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 16 SER HA 108 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 16 SER QB 108 VAL QQG 6.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 259, 260,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 17 LEU H 17 LEU HB+ 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 270, 271,
&end
#
# 17 LEU H 17 LEU HG 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, 273, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 LEU H 17 LEU QQD 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU H 17 LEU QQD 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU HG 18 VAL HA 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, 287, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 17 LEU HB+ 18 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= 270, 271,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 17 LEU HB+ 18 VAL HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 270, 271,
&end
#
# 17 LEU HB+ 18 VAL H 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 270, 271,
&end
#
# 17 LEU HG 18 VAL H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 17 LEU QQD 18 VAL H 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU HA 19 HIS H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, 301, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 17 LEU HB+ 19 HIS H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 270, 271,
&end
#
# 17 LEU H 20 ALA QB 6.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 322, 323, 324,
&end
#
# 17 LEU QQD 36 MET QG 7.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 549, 550,
&end
#
# 17 LEU HA 36 MET QG 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 549, 550,
&end
#
# 17 LEU H 36 MET QE 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 553, 554, 555,
&end
#
# 17 LEU QQD 36 MET QE 7.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 553, 554, 555,
&end
#
# 17 LEU HA 36 MET QE 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 553, 554, 555,
&end
#
# 17 LEU HB- 36 MET QE 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 270, 271,
igr2= 553, 554, 555,
&end
#
# 17 LEU QQD 63 LEU H 7.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 63 LEU QQD 9.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 17 LEU QQD 63 LEU HB+ 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 975, 976,
&end
#
# 17 LEU QQD 63 LEU HA 7.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 64 CYS H 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 64 CYS HA 7.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 64 CYS QB 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 994, 995,
&end
#
# 17 LEU QQD 67 HIS H 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1033, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 67 HIS QB 7.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 1037, 1038,
&end
#
# 17 LEU QQD 67 HIS HA 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1035, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU QQD 68 ALA H 7.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1050, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 17 LEU HG 78 VAL QQG 6.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 17 LEU QQD 78 VAL QQG 8.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1= 275, 276, 277, 279, 280, 281,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 17 LEU QQD 78 VAL HB 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1205, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 275, 276, 277, 279, 280, 281,
&end
#
# 18 VAL HA 18 VAL QQG 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL HA 18 VAL QQG 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL H 18 VAL HB 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, 289, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 VAL H 18 VAL QQG 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL HA 19 HIS HA 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, 303, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 18 VAL QQG 19 HIS QB 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 305, 306,
&end
#
# 18 VAL QQG 19 HIS HA 6.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL QQG 19 HIS HA 6.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL QQG 19 HIS H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL HB 19 HIS H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 18 VAL H 19 HIS H 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, 301, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 18 VAL QQG 20 ALA H 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL QQG 20 ALA H 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL HB 20 ALA H 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 289, 318, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 18 VAL H 20 ALA H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, 318, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 18 VAL QQG 21 CYS QB 7.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 332, 333,
&end
#
# 18 VAL HA 21 CYS H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, 328, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 18 VAL QQG 22 GLN HG- 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 346, 347,
&end
#
# 18 VAL QQG 22 GLN QB 7.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 343, 344,
&end
#
# 18 VAL QQG 22 GLN HG+ 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 346, 347,
&end
#
# 18 VAL HA 22 GLN HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 346, 347,
&end
#
# 18 VAL HA 22 GLN HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 346, 347,
&end
#
# 18 VAL QQG 22 GLN H 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL HB 22 GLN HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 346, 347,
&end
#
# 18 VAL QQG 22 GLN HE2- 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 351, 352,
&end
#
# 18 VAL QQG 22 GLN HE2+ 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 351, 352,
&end
#
# 18 VAL H 36 MET QE 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 553, 554, 555,
&end
#
# 18 VAL QQG 67 HIS HE1 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1043, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL QQG 67 HIS HE1 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1043, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL QQG 77 PRO HA 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1197, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL HB 77 PRO QG 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 1191, 1192,
&end
#
# 18 VAL QQG 77 PRO HD+ 7.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 1188, 1189,
&end
#
# 18 VAL QQG 77 PRO QB 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 1194, 1195,
&end
#
# 18 VAL HA 78 VAL HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, 1203, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 18 VAL QQG 78 VAL QQG 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 291, 292, 293, 295, 296, 297,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 18 VAL HA 78 VAL QQG 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 18 VAL QQG 78 VAL H 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL QQG 78 VAL HB 6.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1205, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 291, 292, 293, 295, 296, 297,
&end
#
# 18 VAL H 78 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 18 VAL H 78 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 19 HIS HA 19 HIS HD2 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, 314, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 19 HIS H 19 HIS HD2 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, 314, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 19 HIS H 19 HIS HB+ 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 305, 306,
&end
#
# 19 HIS H 19 HIS HB- 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 305, 306,
&end
#
# 19 HIS HA 20 ALA HA 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, 320, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 19 HIS HD2 20 ALA H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 318, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 19 HIS HB+ 20 ALA H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 305, 306,
&end
#
# 19 HIS HB- 20 ALA H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 305, 306,
&end
#
# 19 HIS H 20 ALA H 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, 318, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 HIS H 20 ALA QB 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 322, 323, 324,
&end
#
# 19 HIS HD2 20 ALA QB 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 322, 323, 324,
&end
#
# 19 HIS HD2 20 ALA HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 320, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 19 HIS QB 22 GLN HG+ 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 305, 306,
igr2= 346, 347,
&end
#
# 19 HIS HA 22 GLN HG+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 346, 347,
&end
#
# 19 HIS HA 22 GLN HG- 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 346, 347,
&end
#
# 19 HIS HA 22 GLN HE2- 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 351, 352,
&end
#
# 19 HIS QB 22 GLN HE2- 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 305, 306,
igr2= 351, 352,
&end
#
# 19 HIS HA 22 GLN HE2+ 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 351, 352,
&end
#
# 19 HIS H 22 GLN H 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, 339, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 19 HIS H 22 GLN HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 346, 347,
&end
#
# 19 HIS HE1 23 CYS- HB- 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 361, 360,
&end
#
# 19 HIS HE1 23 CYS- HB+ 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 361, 360,
&end
#
# 19 HIS HE1 23 CYS- HA 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311, 358, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 19 HIS HD2 30 LEU QQD 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 19 HIS HE1 30 LEU QQD 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 19 HIS HD2 33 CYSZ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 493, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 19 HIS HD2 33 CYSZ HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314, 495, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 20 ALA H 20 ALA QB 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 322, 323, 324,
&end
#
# 20 ALA H 21 CYS H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 20 ALA QB 21 CYS H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 322, 323, 324,
&end
#
# 20 ALA H 22 GLN H 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 339, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 20 ALA H 22 GLN HG+ 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 346, 347,
&end
#
# 20 ALA HA 23 CYS- H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, 356, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 20 ALA H 23 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 356, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 20 ALA H 23 CYS- HB- 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 361, 360,
&end
#
# 20 ALA HA 23 CYS- HA 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, 358, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 20 ALA QB 30 LEU QQD 8.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1= 322, 323, 324,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 20 ALA HA 36 MET QG 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 549, 550,
&end
#
# 20 ALA QB 36 MET QB 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 322, 323, 324,
igr2= 546, 547,
&end
#
# 20 ALA QB 36 MET QG 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 322, 323, 324,
igr2= 549, 550,
&end
#
# 20 ALA H 36 MET QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 549, 550,
&end
#
# 21 CYS H 21 CYS HB- 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 332, 333,
&end
#
# 21 CYS H 21 CYS HB+ 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 332, 333,
&end
#
# 21 CYS H 22 GLN H 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, 339, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 21 CYS HB- 22 GLN H 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 332, 333,
&end
#
# 21 CYS HB+ 22 GLN H 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 332, 333,
&end
#
# 21 CYS H 22 GLN HG- 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 346, 347,
&end
#
# 21 CYS H 22 GLN HG+ 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 346, 347,
&end
#
# 21 CYS H 23 CYS- H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, 356, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 21 CYS QB 23 CYS- H 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 332, 333,
&end
#
# 21 CYS QB 77 PRO QB 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 332, 333,
igr2= 1194, 1195,
&end
#
# 21 CYS QB 78 VAL QQG 6.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 332, 333,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 21 CYS QB 78 VAL HA 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1203, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 332, 333,
&end
#
# 21 CYS H 78 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 22 GLN HA 22 GLN HG+ 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 346, 347,
&end
#
# 22 GLN HA 22 GLN HG- 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 346, 347,
&end
#
# 22 GLN H 22 GLN HG- 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 346, 347,
&end
#
# 22 GLN H 22 GLN HG+ 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 346, 347,
&end
#
# 22 GLN H 22 GLN QB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 343, 344,
&end
#
# 22 GLN QB 22 GLN HE2- 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 343, 344,
igr2= 351, 352,
&end
#
# 22 GLN HG+ 23 CYS- H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 346, 347,
&end
#
# 22 GLN H 23 CYS- HA 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 339, 358, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 22 GLN HE2- 23 CYS- HA 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 351, 352,
&end
#
# 22 GLN HG+ 77 PRO QG 5.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 346, 347,
igr2= 1191, 1192,
&end
#
# 22 GLN HE2- 77 PRO QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 351, 352,
igr2= 1191, 1192,
&end
#
# 22 GLN HE2+ 77 PRO QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 351, 352,
igr2= 1191, 1192,
&end
#
# 23 CYS- H 23 CYS- HB+ 2.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 361, 360,
&end
#
# 23 CYS- H 23 CYS- HB- 2.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,
igr2= 361, 360,
&end
#
# 23 CYS- HA 24 ARG+ QD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 376, 377,
&end
#
# 23 CYS- HA 25 ASN H 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 358, 390, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 23 CYS- QB 26 ALA QB 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 361, 360,
igr2= 408, 409, 410,
&end
#
# 23 CYS- H 37 LYS+ QE 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 572, 573,
&end
#
# 24 ARG+ QB 24 ARG+ QD 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 370, 371,
igr2= 376, 377,
&end
#
# 24 ARG+ H 25 ASN H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 366, 390, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 24 ARG+ QD 25 ASN H 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 376, 377,
&end
#
# 24 ARG+ HB+ 25 ASN H 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 370, 371,
&end
#
# 24 ARG+ HB- 25 ASN H 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 370, 371,
&end
#
# 25 ASN H 25 ASN QB 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 394, 395,
&end
#
# 25 ASN QB 25 ASN QD2 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 394, 395,
igr2= 399, 400,
&end
#
# 25 ASN QD2 26 ALA QB 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 399, 400,
igr2= 408, 409, 410,
&end
#
# 25 ASN HD2- 27 ASN H 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 399, 400,
&end
#
# 25 ASN QD2 27 ASN QB 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 399, 400,
igr2= 418, 419,
&end
#
# 25 ASN QB 28 CYS- HA 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 394, 395,
&end
#
# 25 ASN HD2+ 28 CYS- H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 399, 400,
&end
#
# 25 ASN HD2- 28 CYS- H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 399, 400,
&end
#
# 25 ASN H 28 CYS- QB 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 433, 432,
&end
#
# 25 ASN HD2+ 28 CYS- HA 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 399, 400,
&end
#
# 25 ASN QD2 28 CYS- QB 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 399, 400,
igr2= 433, 432,
&end
#
# 25 ASN HD2- 28 CYS- HA 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 399, 400,
&end
#
# 26 ALA QB 27 ASN H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 408, 409, 410,
&end
#
# 26 ALA HA 27 ASN HD2- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 423, 424,
&end
#
# 26 ALA QB 27 ASN HD2- 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 408, 409, 410,
igr2= 423, 424,
&end
#
# 26 ALA HA 28 CYS- QB 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 433, 432,
&end
#
# 26 ALA QB 28 CYS- H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 408, 409, 410,
&end
#
# 27 ASN HA 27 ASN HB- 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 418, 419,
&end
#
# 27 ASN HA 27 ASN HB+ 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 418, 419,
&end
#
# 27 ASN H 27 ASN HB+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 418, 419,
&end
#
# 27 ASN H 27 ASN HB- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 418, 419,
&end
#
# 27 ASN H 27 ASN HD2- 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 423, 424,
&end
#
# 27 ASN QB 27 ASN HD2- 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr1= 418, 419,
igr2= 423, 424,
&end
#
# 27 ASN H 27 ASN HD2+ 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 423, 424,
&end
#
# 27 ASN QB 28 CYS- H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 418, 419,
&end
#
# 27 ASN H 28 CYS- H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 28 CYS- HA 28 CYS- QB 3.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 433, 432,
&end
#
# 28 CYS- H 28 CYS- QB 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 433, 432,
&end
#
# 28 CYS- H 29 SER H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 428, 438, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 29 SER QB 30 LEU H 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 442, 443,
&end
#
# 29 SER H 30 LEU H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, 449, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 29 SER H 30 LEU QQD 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 29 SER HA 34 GLN QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 510, 511,
&end
#
# 29 SER HA 34 GLN HE2+ 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 515, 516,
&end
#
# 29 SER QB 34 GLN HE2+ 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 442, 443,
igr2= 515, 516,
&end
#
# 29 SER QB 34 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= 442, 443,
igr2= 515, 516,
&end
#
# 29 SER HA 34 GLN HE2- 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 515, 516,
&end
#
# 29 SER HB- 99 ALA QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 442, 443,
igr2= 1520, 1521, 1522,
&end
#
# 29 SER HB+ 99 ALA QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 442, 443,
igr2= 1520, 1521, 1522,
&end
#
# 29 SER HA 99 ALA QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1520, 1521, 1522,
&end
#
# 30 LEU H 30 LEU HG 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU H 30 LEU QB 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 453, 454,
&end
#
# 30 LEU H 30 LEU QQD 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU H 30 LEU QQD 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU HA 30 LEU QQD 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU HA 30 LEU QQD 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU H 31 PRO QD 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 469, 470,
&end
#
# 30 LEU QQD 31 PRO QD 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 469, 470,
&end
#
# 30 LEU QB 31 PRO QG 6.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 453, 454,
igr2= 472, 473,
&end
#
# 30 LEU H 32 SER H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 482, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 30 LEU H 33 CYSZ H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 493, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 30 LEU HB- 33 CYSZ H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 453, 454,
&end
#
# 30 LEU HG 33 CYSZ H 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 456, 493, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 30 LEU HB+ 33 CYSZ H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 453, 454,
&end
#
# 30 LEU QQD 33 CYSZ H 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 33 CYSZ H 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU HA 33 CYSZ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 451, 493, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 30 LEU H 33 CYSZ HB- 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 498, 497,
&end
#
# 30 LEU H 33 CYSZ HB+ 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 498, 497,
&end
#
# 30 LEU QQD 33 CYSZ QB 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 498, 497,
&end
#
# 30 LEU QQD 33 CYSZ HA 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QB 33 CYSZ HA 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 453, 454,
&end
#
# 30 LEU QB 34 GLN H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 453, 454,
&end
#
# 30 LEU QQD 34 GLN H 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU H 34 GLN QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 507, 508,
&end
#
# 30 LEU H 34 GLN HE2+ 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 515, 516,
&end
#
# 30 LEU H 34 GLN HE2- 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 515, 516,
&end
#
# 30 LEU QQD 99 ALA QB 7.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 1520, 1521, 1522,
&end
#
# 30 LEU QQD 99 ALA QB 7.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 1520, 1521, 1522,
&end
#
# 30 LEU QQD 100 PRO QG 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 1530, 1531,
&end
#
# 30 LEU QQD 100 PRO QG 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 1530, 1531,
&end
#
# 30 LEU QQD 100 PRO QG 7.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 1530, 1531,
&end
#
# 30 LEU QQD 101 GLU- HA 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1542, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 102 ASP- HA 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1557, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 102 ASP- H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1555, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 102 ASP- H 7.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1555, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 102 ASP- HA 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1557, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 458, 459, 460, 462, 463, 464,
&end
#
# 30 LEU QQD 102 ASP- QB 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 458, 459, 460, 462, 463, 464,
igr2= 1559, 1560,
&end
#
# 31 PRO QG 32 SER H 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 472, 473,
&end
#
# 31 PRO QD 33 CYSZ H 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 469, 470,
&end
#
# 31 PRO HA 34 GLN H 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 478, 503, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 31 PRO HA 34 GLN QG 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 510, 511,
&end
#
# 31 PRO HA 35 LYS+ H 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 478, 520, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 31 PRO QG 99 ALA QB 6.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 472, 473,
igr2= 1520, 1521, 1522,
&end
#
# 31 PRO QD 99 ALA QB 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 469, 470,
igr2= 1520, 1521, 1522,
&end
#
# 31 PRO QG 102 ASP- QB 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 472, 473,
igr2= 1559, 1560,
&end
#
# 31 PRO QD 102 ASP- H 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1555, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 469, 470,
&end
#
# 32 SER H 34 GLN H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 482, 503, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 32 SER H 35 LYS+ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 482, 520, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 32 SER HA 36 MET H 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 484, 542, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 32 SER H 105 GLU- QB 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 1599, 1600,
&end
#
# 33 CYSZ HB- 34 GLN H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 498, 497,
&end
#
# 33 CYSZ HB+ 34 GLN H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 498, 497,
&end
#
# 33 CYSZ H 34 GLN H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 CYSZ H 34 GLN QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 510, 511,
&end
#
# 33 CYSZ H 34 GLN QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 507, 508,
&end
#
# 33 CYSZ H 35 LYS+ H 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, 520, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 33 CYSZ QB 35 LYS+ H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 498, 497,
&end
#
# 33 CYSZ H 36 MET H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, 542, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 33 CYSZ HA 36 MET H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 495, 542, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 33 CYSZ H 36 MET QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 546, 547,
&end
#
# 33 CYSZ HA 37 LYS+ H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 495, 559, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 33 CYSZ H 105 GLU- QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 1599, 1600,
&end
#
# 34 GLN H 34 GLN QG 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 510, 511,
&end
#
# 34 GLN H 34 GLN QB 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 507, 508,
&end
#
# 34 GLN QG 34 GLN HE2- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 510, 511,
igr2= 515, 516,
&end
#
# 34 GLN HA 34 GLN HE2- 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 515, 516,
&end
#
# 34 GLN HA 34 GLN QG 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 510, 511,
&end
#
# 34 GLN H 35 LYS+ H 4.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, 520, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 34 GLN QG 35 LYS+ H 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 510, 511,
&end
#
# 34 GLN QB 35 LYS+ H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 507, 508,
&end
#
# 34 GLN H 35 LYS+ QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 524, 525,
&end
#
# 34 GLN H 35 LYS+ QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 527, 528,
&end
#
# 34 GLN HA 36 MET H 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, 542, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 34 GLN HA 37 LYS+ QD 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 569, 570,
&end
#
# 34 GLN H 37 LYS+ QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 563, 564,
&end
#
# 34 GLN H 37 LYS+ QD 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 569, 570,
&end
#
# 34 GLN HG+ 99 ALA QB 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 510, 511,
igr2= 1520, 1521, 1522,
&end
#
# 34 GLN HG- 99 ALA QB 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 510, 511,
igr2= 1520, 1521, 1522,
&end
#
# 35 LYS+ H 35 LYS+ QE 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 533, 534,
&end
#
# 35 LYS+ H 35 LYS+ QB 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 524, 525,
&end
#
# 35 LYS+ H 35 LYS+ QD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 530, 531,
&end
#
# 35 LYS+ H 35 LYS+ HG+ 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 527, 528,
&end
#
# 35 LYS+ H 35 LYS+ HG- 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 527, 528,
&end
#
# 35 LYS+ HA 35 LYS+ QG 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 527, 528,
&end
#
# 35 LYS+ HA 35 LYS+ QE 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 533, 534,
&end
#
# 35 LYS+ QG 36 MET H 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 527, 528,
&end
#
# 35 LYS+ H 36 MET H 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, 542, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 35 LYS+ QB 36 MET H 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 524, 525,
&end
#
# 35 LYS+ QD 36 MET H 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 530, 531,
&end
#
# 35 LYS+ H 36 MET QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 546, 547,
&end
#
# 35 LYS+ HA 36 MET HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 35 LYS+ H 37 LYS+ H 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, 559, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 35 LYS+ HA 37 LYS+ H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, 559, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 35 LYS+ HA 38 ARG+ H 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 522, 581, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 35 LYS+ H 38 ARG+ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, 581, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 35 LYS+ H 38 ARG+ QD 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 591, 592,
&end
#
# 36 MET H 36 MET QG 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 549, 550,
&end
#
# 36 MET H 36 MET QB 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 546, 547,
&end
#
# 36 MET HA 36 MET QE 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 553, 554, 555,
&end
#
# 36 MET QG 36 MET QE 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 549, 550,
igr2= 553, 554, 555,
&end
#
# 36 MET HG+ 37 LYS+ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 549, 550,
&end
#
# 36 MET HG- 37 LYS+ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 549, 550,
&end
#
# 36 MET QB 37 LYS+ H 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 546, 547,
&end
#
# 36 MET H 37 LYS+ H 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, 559, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 36 MET QB 37 LYS+ HA 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 546, 547,
&end
#
# 36 MET HA 38 ARG+ H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 581, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 36 MET QB 38 ARG+ H 6.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 546, 547,
&end
#
# 36 MET H 38 ARG+ H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, 581, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 36 MET HA 39 VAL QQG 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 36 MET HA 39 VAL H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 605, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 36 MET H 39 VAL QQG 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 36 MET H 39 VAL QQG 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 36 MET QE 39 VAL QQG 7.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 553, 554, 555,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 36 MET QE 39 VAL QQG 7.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 553, 554, 555,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 36 MET HA 40 VAL H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 621, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 36 MET QG 40 VAL H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 549, 550,
&end
#
# 36 MET QG 60 LEU QQD 8.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 549, 550,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 36 MET HA 60 LEU QQD 6.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 36 MET QE 63 LEU QQD 6.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 553, 554, 555,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 36 MET QE 108 VAL HA 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1637, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 553, 554, 555,
&end
#
# 36 MET HA 108 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 36 MET QB 108 VAL QQG 6.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 546, 547,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 36 MET HA 108 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 36 MET QB 108 VAL QQG 6.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 546, 547,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 36 MET QE 108 VAL QQG 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 553, 554, 555,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 36 MET QE 108 VAL QQG 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 553, 554, 555,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 36 MET QE 111 ILE QD1 7.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 553, 554, 555,
igr2= 1692, 1693, 1694,
&end
#
# 36 MET QE 112 PHE QD 7.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 553, 554, 555,
igr2= 1706, 1714,
&end
#
# 36 MET QE 112 PHE QE 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 553, 554, 555,
igr2= 1708, 1712,
&end
#
# 37 LYS+ H 37 LYS+ HE+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 572, 573,
&end
#
# 37 LYS+ H 37 LYS+ HE- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 572, 573,
&end
#
# 37 LYS+ H 37 LYS+ QB 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 563, 564,
&end
#
# 37 LYS+ H 37 LYS+ QD 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 569, 570,
&end
#
# 37 LYS+ H 37 LYS+ QG 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 566, 567,
&end
#
# 37 LYS+ HA 37 LYS+ QD 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 569, 570,
&end
#
# 37 LYS+ HA 37 LYS+ QE 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 572, 573,
&end
#
# 37 LYS+ H 38 ARG+ H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, 581, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 37 LYS+ H 38 ARG+ QD 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 591, 592,
&end
#
# 37 LYS+ HA 38 ARG+ QD 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 591, 592,
&end
#
# 37 LYS+ HA 39 VAL H 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, 605, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 37 LYS+ H 39 VAL H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, 605, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 37 LYS+ QD 40 VAL QQG 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 569, 570,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 37 LYS+ H 40 VAL QQG 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 37 LYS+ QG 40 VAL QQG 7.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 566, 567,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 37 LYS+ QB 40 VAL QQG 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 563, 564,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 37 LYS+ HA 40 VAL QQG 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 37 LYS+ HA 40 VAL HB 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, 625, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 37 LYS+ HA 41 GLN QG 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 644, 645,
&end
#
# 38 ARG+ HA 38 ARG+ QD 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 591, 592,
&end
#
# 38 ARG+ H 38 ARG+ QD 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 591, 592,
&end
#
# 38 ARG+ H 38 ARG+ HB+ 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 585, 586,
&end
#
# 38 ARG+ H 38 ARG+ HB- 3.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2= 585, 586,
&end
#
# 38 ARG+ H 38 ARG+ QG 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 588, 589,
&end
#
# 38 ARG+ HB+ 39 VAL QQG 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 585, 586,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 38 ARG+ H 39 VAL H 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, 605, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 38 ARG+ HB+ 39 VAL H 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 585, 586,
&end
#
# 38 ARG+ HB- 39 VAL H 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 585, 586,
&end
#
# 38 ARG+ QG 39 VAL H 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 588, 589,
&end
#
# 38 ARG+ H 39 VAL QQG 7.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 38 ARG+ H 40 VAL H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, 621, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 38 ARG+ HA 40 VAL H 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, 621, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 38 ARG+ H 40 VAL QQG 7.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 38 ARG+ HA 41 GLN QG 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 644, 645,
&end
#
# 38 ARG+ H 41 GLN H 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, 637, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 38 ARG+ HA 41 GLN H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, 637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 ARG+ H 41 GLN QG 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 644, 645,
&end
#
# 38 ARG+ QG 41 GLN QB 5.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 588, 589,
igr2= 641, 642,
&end
#
# 38 ARG+ QD 41 GLN QG 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 591, 592,
igr2= 644, 645,
&end
#
# 38 ARG+ HA 42 HIS H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, 654, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 ARG+ QD 117 MET QE 7.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 591, 592,
igr2= 1782, 1783, 1784,
&end
#
# 38 ARG+ HA 117 MET QE 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 1782, 1783, 1784,
&end
#
# 38 ARG+ HB+ 117 MET QE 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 585, 586,
igr2= 1782, 1783, 1784,
&end
#
# 39 VAL HA 39 VAL QQG 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL HA 39 VAL QQG 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL H 39 VAL QQG 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL H 39 VAL QQG 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL HB 40 VAL H 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 39 VAL QQG 40 VAL H 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL H 40 VAL H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 605, 621, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 39 VAL H 41 GLN H 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 605, 637, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 39 VAL HA 41 GLN H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 637, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 39 VAL QQG 41 GLN H 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL HA 42 HIS HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 658, 659,
&end
#
# 39 VAL QQG 42 HIS QB 8.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 658, 659,
&end
#
# 39 VAL HA 42 HIS H 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 654, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 39 VAL HA 42 HIS HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 658, 659,
&end
#
# 39 VAL HA 42 HIS HD2 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 667, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 39 VAL QQG 43 THR HB 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL QQG 43 THR QG2 7.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 677, 678, 679,
&end
#
# 39 VAL HA 43 THR H 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, 671, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 39 VAL QQG 43 THR H 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL QQG 60 LEU QQD 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 39 VAL QQG 60 LEU HG 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL QQG 60 LEU HA 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 39 VAL HA 60 LEU QQD 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 39 VAL QQG 108 VAL QQG 9.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 39 VAL QQG 112 PHE QE 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 1708, 1712,
&end
#
# 39 VAL QQG 117 MET QE 7.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 611, 612, 613, 615, 616, 617,
igr2= 1782, 1783, 1784,
&end
#
# 39 VAL HA 117 MET QE 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 1782, 1783, 1784,
&end
#
# 39 VAL QQG 117 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= 611, 612, 613, 615, 616, 617,
igr2= 1782, 1783, 1784,
&end
#
# 40 VAL HA 40 VAL QQG 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 40 VAL HA 40 VAL QQG 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 40 VAL H 40 VAL HB 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 40 VAL H 40 VAL QQG 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 627, 628, 629, 631, 632, 633,
&end
#
# 40 VAL QQG 41 GLN QG 7.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 644, 645,
&end
#
# 40 VAL QQG 41 GLN HA 7.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 627, 628, 629, 631, 632, 633,
&end
#
# 40 VAL QQG 41 GLN QE2 7.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 649, 650,
&end
#
# 40 VAL H 41 GLN H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 621, 637, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 40 VAL HA 42 HIS H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, 654, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 40 VAL QQG 42 HIS H 6.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 627, 628, 629, 631, 632, 633,
&end
#
# 40 VAL QQG 43 THR QG2 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 677, 678, 679,
&end
#
# 40 VAL HA 43 THR QG2 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 677, 678, 679,
&end
#
# 40 VAL HA 43 THR HB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, 675, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 40 VAL HA 43 THR H 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, 671, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 40 VAL HA 44 LYS+ QB 6.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 689, 690,
&end
#
# 40 VAL QQG 44 LYS+ QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 689, 690,
&end
#
# 40 VAL QQG 44 LYS+ QE 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 627, 628, 629, 631, 632, 633,
igr2= 698, 699,
&end
#
# 40 VAL QQG 44 LYS+ H 6.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 627, 628, 629, 631, 632, 633,
&end
#
# 40 VAL HA 60 LEU HG 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, 930, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 40 VAL HA 60 LEU QQD 6.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 40 VAL HA 60 LEU QQD 6.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 41 GLN HA 41 GLN QB 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 641, 642,
&end
#
# 41 GLN H 41 GLN QG 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 644, 645,
&end
#
# 41 GLN H 41 GLN QB 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 641, 642,
&end
#
# 41 GLN HA 41 GLN HE2+ 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 649, 650,
&end
#
# 41 GLN QG 41 GLN HE2+ 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 644, 645,
igr2= 649, 650,
&end
#
# 41 GLN QB 41 GLN HE2+ 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 641, 642,
igr2= 649, 650,
&end
#
# 41 GLN QB 41 GLN HE2- 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 641, 642,
igr2= 649, 650,
&end
#
# 41 GLN QG 41 GLN HE2- 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 644, 645,
igr2= 649, 650,
&end
#
# 41 GLN HA 41 GLN HE2- 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 649, 650,
&end
#
# 41 GLN QB 41 GLN QG 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 641, 642,
igr2= 644, 645,
&end
#
# 41 GLN HA 41 GLN QG 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 644, 645,
&end
#
# 41 GLN HA 42 HIS H 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 41 GLN QG 42 HIS H 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 644, 645,
&end
#
# 41 GLN QB 42 HIS H 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 641, 642,
&end
#
# 41 GLN H 43 THR H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, 671, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 41 GLN HA 44 LYS+ H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, 685, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 41 GLN H 44 LYS+ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, 685, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 41 GLN H 44 LYS+ QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 698, 699,
&end
#
# 41 GLN H 44 LYS+ QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 689, 690,
&end
#
# 41 GLN HE2+ 44 LYS+ QD 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 649, 650,
igr2= 695, 696,
&end
#
# 41 GLN HE2- 44 LYS+ QD 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 649, 650,
igr2= 695, 696,
&end
#
# 41 GLN QE2 44 LYS+ QE 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 649, 650,
igr2= 698, 699,
&end
#
# 41 GLN QB 44 LYS+ QG 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 641, 642,
igr2= 692, 693,
&end
#
# 41 GLN QG 44 LYS+ QE 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 644, 645,
igr2= 698, 699,
&end
#
# 41 GLN QG 44 LYS+ QG 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 644, 645,
igr2= 692, 693,
&end
#
# 41 GLN QG 44 LYS+ QD 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 644, 645,
igr2= 695, 696,
&end
#
# 42 HIS H 42 HIS HD2 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, 667, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 42 HIS H 42 HIS QB 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 658, 659,
&end
#
# 42 HIS HA 42 HIS HD2 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 656, 667, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 42 HIS H 43 THR H 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, 671, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 42 HIS HD2 43 THR H 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 671, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 42 HIS QB 43 THR H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 658, 659,
&end
#
# 42 HIS H 43 THR QG2 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 677, 678, 679,
&end
#
# 42 HIS QB 43 THR HB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 658, 659,
&end
#
# 42 HIS HD2 43 THR QG2 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 677, 678, 679,
&end
#
# 42 HIS HD2 43 THR HA 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 673, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 42 HIS HD2 43 THR HB 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 675, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 42 HIS H 44 LYS+ H 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, 685, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 42 HIS HA 45 GLY H 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 656, 707, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 42 HIS HA 46 CYS- H 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 656, 714, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 42 HIS HE1 46 CYS- HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, 716, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 42 HIS HE1 46 CYS- HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 719, 718,
&end
#
# 42 HIS HE1 46 CYS- HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 719, 718,
&end
#
# 42 HIS QB 56 VAL QQG 8.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 658, 659,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 42 HIS HD2 56 VAL QQG 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 42 HIS HD2 56 VAL HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 862, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 42 HIS HE1 56 VAL HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, 862, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 42 HIS HE1 56 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 42 HIS HD2 57 CYSZ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, 874, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 42 HIS HD2 60 LEU QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 927, 928,
&end
#
# 42 HIS HD2 60 LEU QQD 7.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 42 HIS H 117 MET QE 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 1782, 1783, 1784,
&end
#
# 42 HIS HE1 117 MET QE 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1782, 1783, 1784,
&end
#
# 42 HIS HD2 117 MET QE 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 1782, 1783, 1784,
&end
#
# 42 HIS QB 117 MET QE 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 658, 659,
igr2= 1782, 1783, 1784,
&end
#
# 42 HIS HE1 120 VAL QQG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 42 HIS HE1 120 VAL HB 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, 1821, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 42 HIS HE1 120 VAL QQG 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 42 HIS HE1 120 VAL QQG 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 43 THR HA 43 THR QG2 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 677, 678, 679,
&end
#
# 43 THR H 43 THR HG1 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 43 THR H 43 THR HB 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 43 THR H 43 THR QG2 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 677, 678, 679,
&end
#
# 43 THR QG2 44 LYS+ QB 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 677, 678, 679,
igr2= 689, 690,
&end
#
# 43 THR QG2 44 LYS+ QE 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 677, 678, 679,
igr2= 698, 699,
&end
#
# 43 THR H 44 LYS+ H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 685, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 43 THR HG1 44 LYS+ H 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 43 THR HB 44 LYS+ H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, 685, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 43 THR QG2 44 LYS+ H 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 677, 678, 679,
&end
#
# 43 THR H 44 LYS+ QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 689, 690,
&end
#
# 43 THR H 45 GLY H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 707, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 43 THR HA 45 GLY H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, 707, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 43 THR HA 46 CYS- HB- 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 719, 718,
&end
#
# 43 THR HA 46 CYS- HB+ 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 719, 718,
&end
#
# 43 THR QG2 46 CYS- QB 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 677, 678, 679,
igr2= 719, 718,
&end
#
# 43 THR HB 46 CYS- HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 719, 718,
&end
#
# 43 THR HB 46 CYS- HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 719, 718,
&end
#
# 43 THR H 46 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 714, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 43 THR HG1 46 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 681, 714, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 43 THR HB 56 VAL QQG 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 43 THR H 56 VAL QQG 6.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 43 THR QG2 60 LEU QQD 7.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 677, 678, 679,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 43 THR QG2 60 LEU HG 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 677, 678, 679,
&end
#
# 43 THR HB 60 LEU QQD 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 43 THR HB 60 LEU HG 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, 930, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 43 THR H 60 LEU HG 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, 930, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 43 THR H 60 LEU QQD 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 43 THR HB 60 LEU QQD 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 43 THR QG2 61 ILE QD1 7.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 677, 678, 679,
igr2= 955, 956, 957,
&end
#
# 43 THR QG2 80 PHE QE 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 677, 678, 679,
igr2= 1241, 1245,
&end
#
# 43 THR HB 80 PHE QE 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 1241, 1245,
&end
#
# 43 THR QG2 80 PHE QD 6.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 677, 678, 679,
igr2= 1239, 1247,
&end
#
# 43 THR HA 80 PHE QE 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 1241, 1245,
&end
#
# 44 LYS+ H 44 LYS+ QE 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 698, 699,
&end
#
# 44 LYS+ H 44 LYS+ QB 3.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 689, 690,
&end
#
# 44 LYS+ HA 44 LYS+ QG 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 692, 693,
&end
#
# 44 LYS+ HA 44 LYS+ QB 3.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 689, 690,
&end
#
# 44 LYS+ HA 44 LYS+ QE 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 698, 699,
&end
#
# 44 LYS+ QG 44 LYS+ QE 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 692, 693,
igr2= 698, 699,
&end
#
# 44 LYS+ HA 45 GLY QA 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 709, 710,
&end
#
# 44 LYS+ QB 45 GLY HA- 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 689, 690,
igr2= 709, 710,
&end
#
# 44 LYS+ QB 45 GLY HA+ 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 689, 690,
igr2= 709, 710,
&end
#
# 44 LYS+ H 45 GLY H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, 707, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 44 LYS+ QB 45 GLY H 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 689, 690,
&end
#
# 44 LYS+ QG 45 GLY H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 692, 693,
&end
#
# 44 LYS+ H 45 GLY HA+ 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 709, 710,
&end
#
# 44 LYS+ H 45 GLY HA- 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 709, 710,
&end
#
# 44 LYS+ H 46 CYS- H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, 714, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 44 LYS+ H 46 CYS- QB 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 719, 718,
&end
#
# 45 GLY H 46 CYS- H 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 707, 714, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 45 GLY H 46 CYS- HB+ 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 719, 718,
&end
#
# 45 GLY H 46 CYS- HB- 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 719, 718,
&end
#
# 46 CYS- H 46 CYS- HB+ 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 719, 718,
&end
#
# 46 CYS- H 46 CYS- HB- 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 719, 718,
&end
#
# 47 LYS+ HA 47 LYS+ HG- 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 731, 732,
&end
#
# 47 LYS+ QB 47 LYS+ QD 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 728, 729,
igr2= 734, 735,
&end
#
# 47 LYS+ HA 47 LYS+ QE 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 737, 738,
&end
#
# 47 LYS+ QB 47 LYS+ QE 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 728, 729,
igr2= 737, 738,
&end
#
# 47 LYS+ QG 47 LYS+ QE 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 731, 732,
igr2= 737, 738,
&end
#
# 47 LYS+ HA 47 LYS+ QD 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 734, 735,
&end
#
# 47 LYS+ HA 47 LYS+ HG+ 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 731, 732,
&end
#
# 47 LYS+ QB 48 ARG+ H 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 728, 729,
&end
#
# 48 ARG+ H 48 ARG+ QD 7.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 756, 757,
&end
#
# 48 ARG+ H 48 ARG+ HG- 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 753, 754,
&end
#
# 48 ARG+ H 48 ARG+ HG+ 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 753, 754,
&end
#
# 48 ARG+ QB 48 ARG+ QD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 750, 751,
igr2= 756, 757,
&end
#
# 48 ARG+ HA 52 GLY HA+ 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 822, 823,
&end
#
# 48 ARG+ QB 53 GLY QA 7.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1= 750, 751,
igr2= 829, 830,
&end
#
# 48 ARG+ HA 53 GLY H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 748, 827, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 48 ARG+ QD 53 GLY H 6.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 756, 757,
&end
#
# 48 ARG+ HG- 53 GLY H 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 753, 754,
&end
#
# 48 ARG+ HG+ 53 GLY H 5.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 753, 754,
&end
#
# 48 ARG+ QD 54 CYS- H 6.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 756, 757,
&end
#
# 48 ARG+ HG+ 54 CYS- H 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 753, 754,
&end
#
# 48 ARG+ HG- 54 CYS- HA 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 753, 754,
&end
#
# 48 ARG+ HG+ 54 CYS- HA 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 753, 754,
&end
#
# 48 ARG+ QD 54 CYS- HA 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 756, 757,
&end
#
# 48 ARG+ QD 54 CYS- QB 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 756, 757,
igr2= 839, 838,
&end
#
# 48 ARG+ QB 54 CYS- QB 6.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 750, 751,
igr2= 839, 838,
&end
#
# 48 ARG+ HG- 54 CYS- HB+ 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 753, 754,
igr2= 839, 838,
&end
#
# 48 ARG+ HG- 54 CYS- HB- 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 753, 754,
igr2= 839, 838,
&end
#
# 48 ARG+ HG+ 54 CYS- QB 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 753, 754,
igr2= 839, 838,
&end
#
# 49 LYS+ QB 49 LYS+ QE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 774, 775,
igr2= 783, 784,
&end
#
# 49 LYS+ QG 49 LYS+ QE 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 777, 778,
igr2= 783, 784,
&end
#
# 49 LYS+ HA 49 LYS+ QE 6.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 783, 784,
&end
#
# 49 LYS+ QB 50 THR QG2 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 774, 775,
igr2= 798, 799, 800,
&end
#
# 49 LYS+ QE 50 THR QG2 6.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 783, 784,
igr2= 798, 799, 800,
&end
#
# 49 LYS+ HA 50 THR QG2 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 798, 799, 800,
&end
#
# 49 LYS+ HA 53 GLY H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, 827, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 49 LYS+ HA 54 CYS- H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, 834, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 49 LYS+ HA 57 CYSZ HB- 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 879, 878,
&end
#
# 49 LYS+ HA 57 CYSZ HB+ 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 879, 878,
&end
#
# 50 THR HA 50 THR QG2 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 798, 799, 800,
&end
#
# 50 THR QG2 58 LYS+ QD 5.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 798, 799, 800,
igr2= 894, 895,
&end
#
# 50 THR QG2 58 LYS+ HA 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 798, 799, 800,
&end
#
# 50 THR QG2 58 LYS+ QG 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 798, 799, 800,
igr2= 891, 892,
&end
#
# 50 THR HB 58 LYS+ QG 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 891, 892,
&end
#
# 50 THR HB 58 LYS+ HB- 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 888, 889,
&end
#
# 50 THR HB 58 LYS+ QE 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 897, 898,
&end
#
# 50 THR HB 58 LYS+ HA 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796, 886, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 50 THR HA 58 LYS+ QG 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 891, 892,
&end
#
# 50 THR QG2 58 LYS+ H 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 798, 799, 800,
&end
#
# 50 THR QG2 61 ILE QD1 7.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 798, 799, 800,
igr2= 955, 956, 957,
&end
#
# 50 THR QG2 61 ILE HG1- 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 798, 799, 800,
igr2= 952, 953,
&end
#
# 51 ASN QB 51 ASN QD2 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 810, 811,
igr2= 815, 816,
&end
#
# 53 GLY H 54 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827, 834, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 53 GLY H 54 CYS- HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 839, 838,
&end
#
# 53 GLY H 54 CYS- HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 839, 838,
&end
#
# 54 CYS- HA 55 PRO QG 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 848, 849,
&end
#
# 54 CYS- QB 56 VAL H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 839, 838,
&end
#
# 54 CYS- HA 56 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 54 CYS- HA 120 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 54 CYS- HA 120 VAL QQG 7.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 55 PRO QD 56 VAL H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 845, 846,
&end
#
# 55 PRO HB- 56 VAL H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 851, 852,
&end
#
# 55 PRO QG 56 VAL H 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 848, 849,
&end
#
# 55 PRO HA 56 VAL QQG 7.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 55 PRO QG 56 VAL QQG 7.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1= 848, 849,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 55 PRO HB- 56 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 851, 852,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 55 PRO HA 57 CYSZ H 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, 874, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 55 PRO HA 58 LYS+ H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, 884, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 55 PRO HA 58 LYS+ HB- 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 888, 889,
&end
#
# 55 PRO HA 58 LYS+ HB+ 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 888, 889,
&end
#
# 55 PRO HB- 58 LYS+ HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 851, 852,
igr2= 888, 889,
&end
#
# 55 PRO HA 58 LYS+ QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 891, 892,
&end
#
# 55 PRO QD 120 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= 845, 846,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 55 PRO QG 120 VAL QQG 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 848, 849,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 55 PRO QG 120 VAL QQG 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 848, 849,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 55 PRO HB- 120 VAL QQG 7.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 851, 852,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 55 PRO QG 120 VAL QQG 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 848, 849,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 55 PRO QD 120 VAL QQG 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 845, 846,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 56 VAL H 56 VAL HB 3.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, 862, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 56 VAL H 56 VAL QQG 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL HB 57 CYSZ H 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 862, 874, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 56 VAL QQG 57 CYSZ H 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL QQG 57 CYSZ H 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL H 57 CYSZ H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, 874, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 56 VAL QQG 58 LYS+ H 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL H 58 LYS+ H 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, 884, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 VAL HA 59 GLN H 3.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 860, 906, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 56 VAL QQG 59 GLN H 6.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL QQG 59 GLN H 6.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL H 59 GLN H 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 858, 906, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 56 VAL QQG 60 LEU H 6.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL HA 60 LEU H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 860, 923, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 56 VAL QQG 112 PHE QE 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 1708, 1712,
&end
#
# 56 VAL QQG 119 ALA QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 1811, 1812, 1813,
&end
#
# 56 VAL QQG 119 ALA QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 1811, 1812, 1813,
&end
#
# 56 VAL HA 119 ALA QB 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 1811, 1812, 1813,
&end
#
# 56 VAL QQG 119 ALA H 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1807, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL QQG 119 ALA QB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 1811, 1812, 1813,
&end
#
# 56 VAL HB 120 VAL QQG 6.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 56 VAL HB 120 VAL QQG 6.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 56 VAL QQG 120 VAL H 6.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1817, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL QQG 120 VAL HA 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1819, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL QQG 120 VAL HB 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1821, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 VAL QQG 120 VAL QQG 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 56 VAL QQG 121 GLN H 7.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1833, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 57 CYSZ H 57 CYSZ HB+ 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 879, 878,
&end
#
# 57 CYSZ H 57 CYSZ HB- 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 879, 878,
&end
#
# 57 CYSZ HB+ 58 LYS+ H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 879, 878,
&end
#
# 57 CYSZ HB- 58 LYS+ H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 879, 878,
&end
#
# 57 CYSZ H 58 LYS+ H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 874, 884, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 57 CYSZ HA 59 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 CYSZ H 59 GLN H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 874, 906, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 57 CYSZ HA 59 GLN QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 910, 911,
&end
#
# 57 CYSZ HA 60 LEU QQD 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 57 CYSZ HA 60 LEU QB 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 927, 928,
&end
#
# 57 CYSZ HA 61 ILE H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, 942, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 57 CYSZ QB 61 ILE QD1 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 879, 878,
igr2= 955, 956, 957,
&end
#
# 57 CYSZ HA 61 ILE QD1 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 955, 956, 957,
&end
#
# 58 LYS+ H 58 LYS+ HB+ 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 888, 889,
&end
#
# 58 LYS+ H 58 LYS+ QG 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 891, 892,
&end
#
# 58 LYS+ HB+ 58 LYS+ QE 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 888, 889,
igr2= 897, 898,
&end
#
# 58 LYS+ QG 58 LYS+ QE 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 891, 892,
igr2= 897, 898,
&end
#
# 58 LYS+ QD 58 LYS+ QE 3.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 894, 895,
igr2= 897, 898,
&end
#
# 58 LYS+ HB- 58 LYS+ QE 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 888, 889,
igr2= 897, 898,
&end
#
# 58 LYS+ HA 58 LYS+ QE 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 897, 898,
&end
#
# 58 LYS+ HA 58 LYS+ QD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 894, 895,
&end
#
# 58 LYS+ H 59 GLN H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 58 LYS+ QE 59 GLN H 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 897, 898,
&end
#
# 58 LYS+ HB- 59 GLN H 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 888, 889,
&end
#
# 58 LYS+ QG 59 GLN H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 891, 892,
&end
#
# 58 LYS+ HB+ 59 GLN HA 5.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 888, 889,
&end
#
# 58 LYS+ QE 59 GLN HA 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 897, 898,
&end
#
# 58 LYS+ QE 60 LEU H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 897, 898,
&end
#
# 58 LYS+ HA 61 ILE H 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, 942, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 58 LYS+ HA 61 ILE QG2 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 948, 949, 950,
&end
#
# 58 LYS+ HA 61 ILE HB 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 886, 946, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 58 LYS+ QE 61 ILE HB 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 897, 898,
&end
#
# 59 GLN H 59 GLN QE2 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 918, 919,
&end
#
# 59 GLN H 59 GLN HB- 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 910, 911,
&end
#
# 59 GLN H 59 GLN HB+ 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 910, 911,
&end
#
# 59 GLN QB 60 LEU H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 910, 911,
&end
#
# 59 GLN QG 60 LEU H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 913, 914,
&end
#
# 59 GLN H 60 LEU H 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, 923, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 59 GLN QB 60 LEU QQD 7.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 910, 911,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 59 GLN H 61 ILE H 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, 942, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 59 GLN HA 61 ILE H 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, 942, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 59 GLN QB 61 ILE H 5.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 910, 911,
&end
#
# 59 GLN HA 62 ALA QB 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 965, 966, 967,
&end
#
# 59 GLN QB 62 ALA QB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 910, 911,
igr2= 965, 966, 967,
&end
#
# 59 GLN HA 62 ALA H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, 961, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 59 GLN H 62 ALA QB 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 965, 966, 967,
&end
#
# 59 GLN HA 63 LEU H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, 971, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 59 GLN HA 63 LEU QQD 7.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 59 GLN HA 111 ILE QG2 6.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 1685, 1686, 1687,
&end
#
# 59 GLN QB 111 ILE QG2 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 910, 911,
igr2= 1685, 1686, 1687,
&end
#
# 59 GLN QB 112 PHE QE 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 910, 911,
igr2= 1708, 1712,
&end
#
# 59 GLN H 119 ALA QB 6.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 1811, 1812, 1813,
&end
#
# 59 GLN QG 119 ALA QB 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 913, 914,
igr2= 1811, 1812, 1813,
&end
#
# 59 GLN HB+ 119 ALA QB 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 910, 911,
igr2= 1811, 1812, 1813,
&end
#
# 59 GLN HB- 119 ALA QB 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 910, 911,
igr2= 1811, 1812, 1813,
&end
#
# 59 GLN QB 119 ALA QB 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 910, 911,
igr2= 1811, 1812, 1813,
&end
#
# 59 GLN HA 124 ILE HG1+ 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 1882, 1883,
&end
#
# 59 GLN HA 124 ILE QD1 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 1885, 1886, 1887,
&end
#
# 59 GLN QB 124 ILE H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1872, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 910, 911,
&end
#
# 59 GLN QB 124 ILE HG1+ 6.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 910, 911,
igr2= 1882, 1883,
&end
#
# 60 LEU H 60 LEU HG 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 60 LEU H 60 LEU QQD 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 60 LEU QB 60 LEU QQD 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 927, 928,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 60 LEU HA 60 LEU QQD 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 60 LEU QB 60 LEU QQD 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 927, 928,
igr2= 932, 933, 934, 936, 937, 938,
&end
#
# 60 LEU H 61 ILE H 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 923, 942, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 60 LEU QB 61 ILE HB 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 927, 928,
&end
#
# 60 LEU QQD 111 ILE QG2 8.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 932, 933, 934, 936, 937, 938,
igr2= 1685, 1686, 1687,
&end
#
# 60 LEU QQD 112 PHE QE 7.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 932, 933, 934, 936, 937, 938,
igr2= 1708, 1712,
&end
#
# 60 LEU QQD 112 PHE QD 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 932, 933, 934, 936, 937, 938,
igr2= 1706, 1714,
&end
#
# 60 LEU QQD 112 PHE QE 7.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 932, 933, 934, 936, 937, 938,
igr2= 1708, 1712,
&end
#
# 60 LEU QQD 112 PHE QD 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 932, 933, 934, 936, 937, 938,
igr2= 1706, 1714,
&end
#
# 61 ILE H 61 ILE HB 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, 946, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 61 ILE H 61 ILE HG1+ 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 952, 953,
&end
#
# 61 ILE H 61 ILE QG2 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 948, 949, 950,
&end
#
# 61 ILE H 61 ILE QD1 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 955, 956, 957,
&end
#
# 61 ILE HB 61 ILE QD1 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 955, 956, 957,
&end
#
# 61 ILE HA 61 ILE QD1 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 955, 956, 957,
&end
#
# 61 ILE QG2 61 ILE QD1 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 948, 949, 950,
igr2= 955, 956, 957,
&end
#
# 61 ILE QG2 61 ILE HG1+ 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 948, 949, 950,
igr2= 952, 953,
&end
#
# 61 ILE HA 61 ILE QG2 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 948, 949, 950,
&end
#
# 61 ILE HA 61 ILE HG1+ 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 952, 953,
&end
#
# 61 ILE HB 62 ALA H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 946, 961, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 61 ILE QG2 62 ALA H 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 948, 949, 950,
&end
#
# 61 ILE H 62 ALA H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE H 62 ALA QB 6.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 965, 966, 967,
&end
#
# 61 ILE QG2 62 ALA HA 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 948, 949, 950,
&end
#
# 61 ILE HB 62 ALA QB 6.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 965, 966, 967,
&end
#
# 61 ILE H 63 LEU H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 942, 971, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 61 ILE QD1 80 PHE QD 7.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 955, 956, 957,
igr2= 1239, 1247,
&end
#
# 61 ILE QD1 80 PHE QE 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 955, 956, 957,
igr2= 1241, 1245,
&end
#
# 61 ILE HA 80 PHE QD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 1239, 1247,
&end
#
# 62 ALA H 62 ALA QB 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 965, 966, 967,
&end
#
# 62 ALA QB 63 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= 965, 966, 967,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 62 ALA H 63 LEU H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 62 ALA QB 63 LEU H 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 965, 966, 967,
&end
#
# 62 ALA H 63 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 62 ALA QB 64 CYS H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 965, 966, 967,
&end
#
# 62 ALA QB 65 CYS H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1001, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 965, 966, 967,
&end
#
# 62 ALA QB 65 CYS QB 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 965, 966, 967,
igr2= 1005, 1006,
&end
#
# 62 ALA HA 65 CYS QB 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 1005, 1006,
&end
#
# 62 ALA QB 124 ILE QG2 8.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 965, 966, 967,
igr2= 1878, 1879, 1880,
&end
#
# 62 ALA HA 124 ILE QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1878, 1879, 1880,
&end
#
# 62 ALA QB 124 ILE HB 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1876, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 965, 966, 967,
&end
#
# 62 ALA QB 124 ILE QG2 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 965, 966, 967,
igr2= 1878, 1879, 1880,
&end
#
# 63 LEU H 63 LEU HB+ 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 975, 976,
&end
#
# 63 LEU H 63 LEU HB- 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 975, 976,
&end
#
# 63 LEU H 63 LEU QQD 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU H 63 LEU QQD 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU HB+ 63 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= 975, 976,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU HA 63 LEU QQD 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU HB+ 63 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= 975, 976,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU HA 63 LEU QQD 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU H 64 CYS H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, 990, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 63 LEU H 64 CYS QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 994, 995,
&end
#
# 63 LEU HB+ 64 CYS H 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 975, 976,
&end
#
# 63 LEU HB- 64 CYS H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 975, 976,
&end
#
# 63 LEU QQD 64 CYS H 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU H 66 TYR HB- 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 1016, 1017,
&end
#
# 63 LEU QQD 66 TYR HB+ 8.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1016, 1017,
&end
#
# 63 LEU QQD 66 TYR QE 8.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1022, 1027,
&end
#
# 63 LEU HB+ 67 HIS H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1033, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 975, 976,
&end
#
# 63 LEU QQD 111 ILE HG1+ 6.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1689, 1690,
&end
#
# 63 LEU QQD 111 ILE HG1+ 6.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1689, 1690,
&end
#
# 63 LEU QQD 111 ILE QG2 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1685, 1686, 1687,
&end
#
# 63 LEU QQD 111 ILE QG2 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1685, 1686, 1687,
&end
#
# 63 LEU HB+ 111 ILE QD1 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 975, 976,
igr2= 1692, 1693, 1694,
&end
#
# 63 LEU QQD 111 ILE QD1 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1692, 1693, 1694,
&end
#
# 63 LEU QQD 111 ILE QD1 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1692, 1693, 1694,
&end
#
# 63 LEU QQD 111 ILE HA 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1681, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU QQD 111 ILE HB 7.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1683, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU QQD 111 ILE QD1 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1692, 1693, 1694,
&end
#
# 63 LEU QQD 112 PHE QE 9.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1708, 1712,
&end
#
# 63 LEU QQD 124 ILE HB 7.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1876, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 980, 981, 982, 984, 985, 986,
&end
#
# 63 LEU QQD 124 ILE HG1- 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 980, 981, 982, 984, 985, 986,
igr2= 1882, 1883,
&end
#
# 64 CYS H 64 CYS QB 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 994, 995,
&end
#
# 64 CYS QB 65 CYS H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1001, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 994, 995,
&end
#
# 64 CYS HA 67 HIS H 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, 1033, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 64 CYS HA 67 HIS QB 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 1037, 1038,
&end
#
# 64 CYS HA 67 HIS HD2 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, 1046, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 CYS HA 78 VAL QQG 7.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 64 CYS QB 84 ILE QD1 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 994, 995,
igr2= 1307, 1308, 1309,
&end
#
# 65 CYS H 65 CYS HB- 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1001, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 1005, 1006,
&end
#
# 65 CYS H 65 CYS HB+ 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1001, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 1005, 1006,
&end
#
# 65 CYS H 66 TYR H 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1001, 1012, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 65 CYS QB 66 TYR H 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1012, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 1005, 1006,
&end
#
# 65 CYS HA 68 ALA QB 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 1054, 1055, 1056,
&end
#
# 65 CYS HA 68 ALA H 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, 1050, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 65 CYS HA 69 LYS+ H 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, 1060, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 65 CYS H 84 ILE HG1+ 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1001, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1304, 1305,
&end
#
# 65 CYS H 84 ILE QD1 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1001, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1307, 1308, 1309,
&end
#
# 65 CYS HA 84 ILE QG2 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 1300, 1301, 1302,
&end
#
# 65 CYS HA 84 ILE HB 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, 1298, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 65 CYS HA 84 ILE QD1 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 1307, 1308, 1309,
&end
#
# 65 CYS QB 84 ILE QG2 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 1005, 1006,
igr2= 1300, 1301, 1302,
&end
#
# 65 CYS QB 84 ILE HB 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1005, 1006,
&end
#
# 65 CYS HA 84 ILE HA 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1003, 1296, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 66 TYR H 66 TYR QD 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1012, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1020, 1029,
&end
#
# 66 TYR H 66 TYR HB+ 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1012, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 1016, 1017,
&end
#
# 66 TYR HA 66 TYR QD 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 1020, 1029,
&end
#
# 66 TYR HA 66 TYR QE 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 1022, 1027,
&end
#
# 66 TYR HB- 67 HIS H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1033, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 1016, 1017,
&end
#
# 66 TYR H 67 HIS H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1012, 1033, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 66 TYR H 68 ALA H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1012, 1050, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 66 TYR HA 69 LYS+ H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, 1060, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 66 TYR H 69 LYS+ QE 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1012, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 1073, 1074,
&end
#
# 66 TYR HB- 69 LYS+ QE 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 1016, 1017,
igr2= 1073, 1074,
&end
#
# 66 TYR HA 69 LYS+ QD 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 1070, 1071,
&end
#
# 66 TYR HA 69 LYS+ HG+ 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 1067, 1068,
&end
#
# 66 TYR HA 69 LYS+ HB- 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 1064, 1065,
&end
#
# 66 TYR QD 69 LYS+ QD 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 1020, 1029,
igr2= 1070, 1071,
&end
#
# 66 TYR HA 69 LYS+ QE 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 1073, 1074,
&end
#
# 66 TYR HA 70 HIS H 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1014, 1082, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 66 TYR QD 126 LEU QQD 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 1020, 1029,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 66 TYR QD 126 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= 1020, 1029,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 66 TYR QD 126 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= 1020, 1029,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 66 TYR HB- 126 LEU QQD 7.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 1016, 1017,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 66 TYR QE 126 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= 1022, 1027,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 66 TYR QE 129 PHE HB- 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 1022, 1027,
igr2= 1959, 1960,
&end
#
# 66 TYR QE 130 PRO HD+ 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 1022, 1027,
igr2= 1976, 1977,
&end
#
# 67 HIS H 67 HIS HB+ 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1037, 1038,
&end
#
# 67 HIS H 67 HIS HB- 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1037, 1038,
&end
#
# 67 HIS HA 67 HIS HD2 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1046, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 67 HIS HD2 68 ALA H 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1050, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 67 HIS QB 68 ALA H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1050, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 1037, 1038,
&end
#
# 67 HIS H 68 ALA H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, 1050, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 67 HIS H 68 ALA QB 6.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 1054, 1055, 1056,
&end
#
# 67 HIS HD2 68 ALA QB 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 1054, 1055, 1056,
&end
#
# 67 HIS HD2 68 ALA HA 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1052, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 67 HIS HA 69 LYS+ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1060, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 67 HIS H 69 LYS+ H 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, 1060, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 67 HIS H 69 LYS+ HB+ 5.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1033, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 1064, 1065,
&end
#
# 67 HIS HA 70 HIS H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1082, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 67 HIS HA 71 CYS- H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1035, 1099, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 67 HIS HD2 71 CYS- HB- 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 1104, 1103,
&end
#
# 67 HIS HE1 71 CYS- HB- 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 1104, 1103,
&end
#
# 67 HIS HE1 71 CYS- HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1104, 1103,
&end
#
# 67 HIS HE1 71 CYS- HA 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, 1101, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 67 HIS HD2 78 VAL QQG 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 67 HIS HE1 78 VAL QQG 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1043, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 67 HIS HD2 78 VAL QQG 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 67 HIS HD2 78 VAL HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1205, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 67 HIS HD2 81 CYSZ HB+ 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 1256, 1255,
&end
#
# 67 HIS HD2 81 CYSZ HB- 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 1256, 1255,
&end
#
# 67 HIS HD2 81 CYSZ HA 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1253, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 68 ALA H 68 ALA QB 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 1054, 1055, 1056,
&end
#
# 68 ALA H 69 LYS+ H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1060, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 68 ALA H 69 LYS+ HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1062, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 68 ALA H 70 HIS H 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1082, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 68 ALA HA 70 HIS H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, 1082, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 68 ALA H 71 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1099, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 68 ALA H 71 CYS- HB- 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 1104, 1103,
&end
#
# 68 ALA HA 71 CYS- H 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, 1099, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 68 ALA QB 71 CYS- H 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1099, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA HA 71 CYS- HB+ 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 1104, 1103,
&end
#
# 68 ALA HA 71 CYS- HB- 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 1104, 1103,
&end
#
# 68 ALA QB 78 VAL QQG 8.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 1054, 1055, 1056,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 68 ALA HA 78 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 68 ALA H 78 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 68 ALA QB 78 VAL HB 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1205, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 81 CYSZ HA 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1253, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 84 ILE H 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1294, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 84 ILE QG2 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 1054, 1055, 1056,
igr2= 1300, 1301, 1302,
&end
#
# 68 ALA HA 84 ILE QG2 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 1300, 1301, 1302,
&end
#
# 68 ALA HA 84 ILE HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, 1298, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 68 ALA H 84 ILE HB 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1298, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 68 ALA H 84 ILE QG2 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 1300, 1301, 1302,
&end
#
# 68 ALA QB 84 ILE HB 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1298, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 84 ILE HA 6.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1296, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 85 LYS+ H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1313, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA QB 85 LYS+ HG- 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1054, 1055, 1056,
igr2= 1320, 1321,
&end
#
# 68 ALA QB 85 LYS+ HG+ 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 1054, 1055, 1056,
igr2= 1320, 1321,
&end
#
# 68 ALA QB 85 LYS+ HA 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1315, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 1054, 1055, 1056,
&end
#
# 68 ALA HA 85 LYS+ HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1320, 1321,
&end
#
# 68 ALA QB 85 LYS+ QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1054, 1055, 1056,
igr2= 1326, 1327,
&end
#
# 68 ALA HA 85 LYS+ HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1052, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1320, 1321,
&end
#
# 69 LYS+ H 69 LYS+ QE 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1073, 1074,
&end
#
# 69 LYS+ H 69 LYS+ HB+ 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 1064, 1065,
&end
#
# 69 LYS+ H 69 LYS+ HB- 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 1064, 1065,
&end
#
# 69 LYS+ H 69 LYS+ HG+ 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 1067, 1068,
&end
#
# 69 LYS+ HA 69 LYS+ HG+ 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 1067, 1068,
&end
#
# 69 LYS+ HA 69 LYS+ HG- 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 1067, 1068,
&end
#
# 69 LYS+ HB- 69 LYS+ QE 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1064, 1065,
igr2= 1073, 1074,
&end
#
# 69 LYS+ HG- 69 LYS+ QE 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 1067, 1068,
igr2= 1073, 1074,
&end
#
# 69 LYS+ HG+ 69 LYS+ QE 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 1067, 1068,
igr2= 1073, 1074,
&end
#
# 69 LYS+ HB+ 69 LYS+ QE 3.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 1064, 1065,
igr2= 1073, 1074,
&end
#
# 69 LYS+ HA 69 LYS+ QE 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 1073, 1074,
&end
#
# 69 LYS+ HA 69 LYS+ QD 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1070, 1071,
&end
#
# 69 LYS+ H 70 HIS H 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, 1082, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 69 LYS+ HB+ 70 HIS H 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1082, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 1064, 1065,
&end
#
# 69 LYS+ HG+ 70 HIS H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1082, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 1067, 1068,
&end
#
# 69 LYS+ HG- 70 HIS H 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1082, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 1067, 1068,
&end
#
# 69 LYS+ H 70 HIS HA 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, 1084, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 69 LYS+ HB+ 70 HIS HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1084, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1064, 1065,
&end
#
# 69 LYS+ QD 70 HIS HA 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1084, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1070, 1071,
&end
#
# 69 LYS+ HG- 70 HIS HA 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1084, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 1067, 1068,
&end
#
# 69 LYS+ HG+ 70 HIS HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1084, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1067, 1068,
&end
#
# 69 LYS+ HB- 70 HIS HD2 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 1064, 1065,
&end
#
# 69 LYS+ HB+ 70 HIS HD2 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1064, 1065,
&end
#
# 69 LYS+ HD- 70 HIS HD2 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1070, 1071,
&end
#
# 69 LYS+ HD+ 70 HIS HD2 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1070, 1071,
&end
#
# 69 LYS+ HG- 70 HIS HE1 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1092, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 1067, 1068,
&end
#
# 69 LYS+ QD 70 HIS HE1 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1092, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 1070, 1071,
&end
#
# 69 LYS+ QE 70 HIS HE1 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1092, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 1073, 1074,
&end
#
# 69 LYS+ HG+ 70 HIS HD2 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 1067, 1068,
&end
#
# 69 LYS+ HG- 70 HIS HD2 5.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1095, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 1067, 1068,
&end
#
# 69 LYS+ H 71 CYS- H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, 1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 69 LYS+ HA 71 CYS- H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, 1099, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 69 LYS+ H 88 LEU QQD 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1060, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HA 88 LEU QQD 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HA 88 LEU HG 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1062, 1381, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 69 LYS+ QE 88 LEU QQD 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 1073, 1074,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HG+ 88 LEU QQD 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 1067, 1068,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ QE 88 LEU QQD 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 1073, 1074,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HG- 88 LEU QQD 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 1067, 1068,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HB- 88 LEU QQD 6.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 1064, 1065,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ HB+ 88 LEU QQD 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 1064, 1065,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 69 LYS+ QD 88 LEU QQD 7.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 1070, 1071,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 70 HIS H 70 HIS HB- 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1082, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 1086, 1087,
&end
#
# 70 HIS H 70 HIS HB+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1082, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1086, 1087,
&end
#
# 70 HIS HA 70 HIS HD2 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1084, 1095, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 70 HIS H 71 CYS- HB- 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1082, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 1104, 1103,
&end
#
# 70 HIS HA 71 CYS- H 3.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1084, 1099, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 70 HIS HB- 71 CYS- H 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1099, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 1086, 1087,
&end
#
# 70 HIS HB+ 71 CYS- H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1099, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 1086, 1087,
&end
#
# 70 HIS H 88 LEU QQD 7.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1082, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 71 CYS- H 71 CYS- HB+ 3.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1099, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 1104, 1103,
&end
#
# 71 CYS- H 71 CYS- HB- 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1099, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 1104, 1103,
&end
#
# 71 CYS- H 72 GLN H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1099, 1109, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 71 CYS- HA 72 GLN QE2 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1121, 1122,
&end
#
# 71 CYS- HA 72 GLN HA 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1101, 1111, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 71 CYS- HA 73 GLU- H 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1101, 1126, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 71 CYS- HB+ 85 LYS+ HD+ 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 1104, 1103,
igr2= 1323, 1324,
&end
#
# 71 CYS- HB+ 85 LYS+ HE+ 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 1104, 1103,
igr2= 1326, 1327,
&end
#
# 71 CYS- HB+ 85 LYS+ QE 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 1104, 1103,
igr2= 1326, 1327,
&end
#
# 71 CYS- HB+ 85 LYS+ HE- 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 1104, 1103,
igr2= 1326, 1327,
&end
#
# 71 CYS- H 88 LEU QQD 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1099, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 72 GLN QG 72 GLN QE2 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 1116, 1117,
igr2= 1121, 1122,
&end
#
# 72 GLN H 72 GLN QG 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1109, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 1116, 1117,
&end
#
# 72 GLN QB 72 GLN QE2 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 1113, 1114,
igr2= 1121, 1122,
&end
#
# 72 GLN H 73 GLU- H 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1109, 1126, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 72 GLN HA 73 GLU- H 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1111, 1126, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 72 GLN QB 73 GLU- H 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1126, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 1113, 1114,
&end
#
# 73 GLU- HA 73 GLU- QG 3.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1128, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 1133, 1134,
&end
#
# 73 GLU- H 73 GLU- QB 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 1130, 1131,
&end
#
# 73 GLU- QG 76 CYS- HB+ 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- HG- 76 CYS- HB- 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- QG 76 CYS- HA 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1179, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 1133, 1134,
&end
#
# 73 GLU- HG+ 76 CYS- HB- 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 1133, 1134,
igr2= 1182, 1181,
&end
#
# 73 GLU- QG 76 CYS- H 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 1133, 1134,
&end
#
# 73 GLU- H 76 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, 1177, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 73 GLU- H 76 CYS- HB+ 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 1182, 1181,
&end
#
# 73 GLU- H 76 CYS- HB- 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1126, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 1182, 1181,
&end
#
# 73 GLU- QB 76 CYS- HB- 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 1130, 1131,
igr2= 1182, 1181,
&end
#
# 73 GLU- QG 77 PRO HD+ 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 1133, 1134,
igr2= 1188, 1189,
&end
#
# 73 GLU- QG 77 PRO HD- 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1133, 1134,
igr2= 1188, 1189,
&end
#
# 74 ASN HA 74 ASN HD2- 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 1150, 1151,
&end
#
# 74 ASN QB 74 ASN HD2- 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 1145, 1146,
igr2= 1150, 1151,
&end
#
# 74 ASN HA 74 ASN HD2+ 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 1150, 1151,
&end
#
# 74 ASN HA 74 ASN QB 3.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 1145, 1146,
&end
#
# 74 ASN QB 75 LYS+ H 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1155, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 1145, 1146,
&end
#
# 74 ASN HD2- 75 LYS+ QE 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 1150, 1151,
igr2= 1168, 1169,
&end
#
# 74 ASN HD2- 75 LYS+ HD- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1150, 1151,
igr2= 1165, 1166,
&end
#
# 74 ASN HD2- 75 LYS+ HD+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1150, 1151,
igr2= 1165, 1166,
&end
#
# 74 ASN HD2- 75 LYS+ QG 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 1150, 1151,
igr2= 1162, 1163,
&end
#
# 74 ASN QB 75 LYS+ QG 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 1145, 1146,
igr2= 1162, 1163,
&end
#
# 74 ASN QB 75 LYS+ HD- 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 1145, 1146,
igr2= 1165, 1166,
&end
#
# 74 ASN QB 75 LYS+ HD+ 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 1145, 1146,
igr2= 1165, 1166,
&end
#
# 74 ASN QB 75 LYS+ QB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1145, 1146,
igr2= 1159, 1160,
&end
#
# 74 ASN QB 75 LYS+ HA 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1157, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 1145, 1146,
&end
#
# 74 ASN HA 75 LYS+ QG 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 1162, 1163,
&end
#
# 74 ASN QB 76 CYS- H 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 1145, 1146,
&end
#
# 74 ASN HD2- 82 LEU QQD 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1150, 1151,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 74 ASN QB 82 LEU QQD 6.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 1145, 1146,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 74 ASN HA 82 LEU QQD 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1143, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ H 75 LYS+ QB 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 1159, 1160,
&end
#
# 75 LYS+ H 75 LYS+ QG 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 1162, 1163,
&end
#
# 75 LYS+ HB- 75 LYS+ QE 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 1159, 1160,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HD+ 75 LYS+ QE 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 1165, 1166,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HB+ 75 LYS+ QE 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 1159, 1160,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HD- 75 LYS+ QE 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 1165, 1166,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HA 75 LYS+ QE 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HA 75 LYS+ HG+ 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 1162, 1163,
&end
#
# 75 LYS+ HA 75 LYS+ HG- 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 1162, 1163,
&end
#
# 75 LYS+ HG+ 75 LYS+ QE 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 1162, 1163,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HG- 75 LYS+ QE 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 1162, 1163,
igr2= 1168, 1169,
&end
#
# 75 LYS+ HA 75 LYS+ HD- 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1165, 1166,
&end
#
# 75 LYS+ HA 75 LYS+ HD+ 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1165, 1166,
&end
#
# 75 LYS+ QB 76 CYS- H 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 1159, 1160,
&end
#
# 75 LYS+ HG- 76 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1162, 1163,
&end
#
# 75 LYS+ HG+ 76 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1177, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1162, 1163,
&end
#
# 75 LYS+ H 76 CYS- H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1155, 1177, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 75 LYS+ HA 76 CYS- HB+ 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 1182, 1181,
&end
#
# 75 LYS+ HA 82 LEU QQD 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ HA 82 LEU HB+ 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1265, 1266,
&end
#
# 75 LYS+ QB 82 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= 1159, 1160,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ QE 82 LEU QQD 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 1168, 1169,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ QE 82 LEU QQD 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 1168, 1169,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ QG 82 LEU QQD 7.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 1162, 1163,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 75 LYS+ HA 82 LEU QQD 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1157, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 76 CYS- H 76 CYS- HB+ 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 1182, 1181,
&end
#
# 76 CYS- H 77 PRO HD- 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 1188, 1189,
&end
#
# 76 CYS- H 77 PRO HD+ 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 1188, 1189,
&end
#
# 76 CYS- HA 77 PRO QG 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 1191, 1192,
&end
#
# 76 CYS- HA 77 PRO HD+ 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 1188, 1189,
&end
#
# 76 CYS- H 82 LEU QQD 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1177, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 76 CYS- HA 82 LEU QQD 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1179, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 77 PRO HD- 78 VAL QQG 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 1188, 1189,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 77 PRO QG 78 VAL QQG 6.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 1191, 1192,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 77 PRO HD- 78 VAL H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 1188, 1189,
&end
#
# 77 PRO HD+ 78 VAL H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 1188, 1189,
&end
#
# 77 PRO QG 78 VAL H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1201, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1191, 1192,
&end
#
# 77 PRO HA 78 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1197, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL HA 78 VAL QQG 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1203, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL HA 78 VAL QQG 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1203, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL H 78 VAL HB 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, 1205, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 78 VAL H 78 VAL QQG 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL H 78 VAL QQG 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL QQG 79 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= 1207, 1208, 1209, 1211, 1212, 1213,
igr2= 1224, 1225,
&end
#
# 78 VAL QQG 79 PRO QD 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
igr2= 1218, 1219,
&end
#
# 78 VAL H 79 PRO QD 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 1218, 1219,
&end
#
# 78 VAL QQG 79 PRO QG 8.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
igr2= 1221, 1222,
&end
#
# 78 VAL QQG 79 PRO HA 6.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1227, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL QQG 81 CYSZ HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
igr2= 1256, 1255,
&end
#
# 78 VAL QQG 81 CYSZ HB- 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
igr2= 1256, 1255,
&end
#
# 78 VAL QQG 81 CYSZ HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
igr2= 1256, 1255,
&end
#
# 78 VAL QQG 81 CYSZ HB- 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
igr2= 1256, 1255,
&end
#
# 78 VAL H 81 CYSZ HB- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1256, 1255,
&end
#
# 78 VAL H 81 CYSZ H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1201, 1251, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 78 VAL HB 81 CYSZ H 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1205, 1251, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 78 VAL QQG 81 CYSZ H 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL QQG 81 CYSZ H 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL QQG 81 CYSZ HA 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1253, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 78 VAL HB 81 CYSZ HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1205, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1256, 1255,
&end
#
# 78 VAL QQG 82 LEU H 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 1207, 1208, 1209, 1211, 1212, 1213,
&end
#
# 79 PRO QG 80 PHE QD 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 1221, 1222,
igr2= 1239, 1247,
&end
#
# 79 PRO HA 80 PHE QD 6.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1227, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 1239, 1247,
&end
#
# 79 PRO QD 81 CYSZ H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1251, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 1218, 1219,
&end
#
# 80 PHE HA 80 PHE QD 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 1239, 1247,
&end
#
# 80 PHE HA 81 CYSZ H 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, 1251, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 80 PHE HA 82 LEU H 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, 1261, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 80 PHE QD 83 ASN H 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1280, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 1239, 1247,
&end
#
# 80 PHE HA 83 ASN H 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, 1280, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 80 PHE HA 83 ASN QB 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 1284, 1285,
&end
#
# 80 PHE QD 83 ASN QB 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 1239, 1247,
igr2= 1284, 1285,
&end
#
# 80 PHE HA 84 ILE QD1 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1233, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 1307, 1308, 1309,
&end
#
# 80 PHE QB 84 ILE QD1 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 1235, 1236,
igr2= 1307, 1308, 1309,
&end
#
# 80 PHE QD 84 ILE QD1 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 1239, 1247,
igr2= 1307, 1308, 1309,
&end
#
# 81 CYSZ H 81 CYSZ HA 2.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, 1253, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 81 CYSZ H 81 CYSZ HB- 3.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 1256, 1255,
&end
#
# 81 CYSZ H 81 CYSZ HB+ 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 1256, 1255,
&end
#
# 81 CYSZ H 82 LEU H 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, 1261, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 81 CYSZ HB- 82 LEU H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 1256, 1255,
&end
#
# 81 CYSZ HB+ 82 LEU H 2.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 1256, 1255,
&end
#
# 81 CYSZ H 83 ASN H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1251, 1280, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 81 CYSZ HA 84 ILE H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, 1294, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 81 CYSZ HA 84 ILE QG2 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1300, 1301, 1302,
&end
#
# 81 CYSZ HA 84 ILE HB 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1253, 1298, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 81 CYSZ HB- 85 LYS+ HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1256, 1255,
igr2= 1320, 1321,
&end
#
# 82 LEU H 82 LEU HA 2.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1263, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 82 LEU H 82 LEU HB- 2.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2= 1265, 1266,
&end
#
# 82 LEU H 82 LEU QQD 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HA 82 LEU QQD 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HB+ 82 LEU QQD 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 1265, 1266,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HB- 82 LEU QQD 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 1265, 1266,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HB+ 82 LEU QQD 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 1265, 1266,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HA 82 LEU HG 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, 1268, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 82 LEU HA 82 LEU QQD 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU HB- 83 ASN H 3.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1280, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 1265, 1266,
&end
#
# 82 LEU HB+ 83 ASN H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1280, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 1265, 1266,
&end
#
# 82 LEU QQD 83 ASN H 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1280, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
&end
#
# 82 LEU H 83 ASN H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1280, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 82 LEU HB- 83 ASN QB 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 1265, 1266,
igr2= 1284, 1285,
&end
#
# 82 LEU HB- 83 ASN HA 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1282, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 1265, 1266,
&end
#
# 82 LEU HB+ 83 ASN HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1282, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1265, 1266,
&end
#
# 82 LEU H 84 ILE H 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1294, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 82 LEU H 85 LYS+ H 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1313, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 82 LEU HA 85 LYS+ H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, 1313, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 82 LEU H 85 LYS+ HG+ 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 1320, 1321,
&end
#
# 82 LEU QQD 85 LYS+ HE+ 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
igr2= 1326, 1327,
&end
#
# 82 LEU QQD 85 LYS+ HE- 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
igr2= 1326, 1327,
&end
#
# 82 LEU QQD 85 LYS+ HG+ 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
igr2= 1320, 1321,
&end
#
# 82 LEU QQD 85 LYS+ HG- 5.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
igr2= 1320, 1321,
&end
#
# 82 LEU HB- 85 LYS+ HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1265, 1266,
igr2= 1320, 1321,
&end
#
# 82 LEU HB- 85 LYS+ HE+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1265, 1266,
igr2= 1326, 1327,
&end
#
# 82 LEU HB- 85 LYS+ HE- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1265, 1266,
igr2= 1326, 1327,
&end
#
# 82 LEU HB+ 85 LYS+ HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1265, 1266,
igr2= 1320, 1321,
&end
#
# 82 LEU HB+ 85 LYS+ HE- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1265, 1266,
igr2= 1326, 1327,
&end
#
# 82 LEU HB+ 85 LYS+ HE+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1265, 1266,
igr2= 1326, 1327,
&end
#
# 82 LEU QQD 85 LYS+ HD+ 6.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
igr2= 1323, 1324,
&end
#
# 82 LEU QQD 85 LYS+ HD- 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
igr2= 1323, 1324,
&end
#
# 82 LEU HA 85 LYS+ HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1320, 1321,
&end
#
# 82 LEU HA 85 LYS+ HE- 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 1326, 1327,
&end
#
# 82 LEU QQD 85 LYS+ QE 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 1270, 1271, 1272, 1274, 1275, 1276,
igr2= 1326, 1327,
&end
#
# 82 LEU HA 85 LYS+ HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1320, 1321,
&end
#
# 82 LEU HB+ 86 HIS QB 6.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 1265, 1266,
igr2= 1339, 1340,
&end
#
# 83 ASN H 83 ASN QD2 5.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1280, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 1289, 1290,
&end
#
# 83 ASN H 83 ASN QB 3.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1280, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 1284, 1285,
&end
#
# 83 ASN HA 83 ASN HD2+ 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 1289, 1290,
&end
#
# 83 ASN HA 83 ASN HD2- 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 1289, 1290,
&end
#
# 83 ASN QB 84 ILE H 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1294, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 1284, 1285,
&end
#
# 83 ASN H 84 ILE H 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1280, 1294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 83 ASN QB 84 ILE QD1 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 1284, 1285,
igr2= 1307, 1308, 1309,
&end
#
# 83 ASN HA 84 ILE QD1 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 1307, 1308, 1309,
&end
#
# 83 ASN QB 84 ILE HG1- 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 1284, 1285,
igr2= 1304, 1305,
&end
#
# 83 ASN QB 84 ILE HA 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1296, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 1284, 1285,
&end
#
# 83 ASN QB 85 LYS+ H 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1313, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 1284, 1285,
&end
#
# 83 ASN H 85 LYS+ H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1280, 1313, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 83 ASN QB 86 HIS QB 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 1284, 1285,
igr2= 1339, 1340,
&end
#
# 83 ASN HA 86 HIS QB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1339, 1340,
&end
#
# 83 ASN QB 87 LYS+ QG 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 1284, 1285,
igr2= 1359, 1360,
&end
#
# 83 ASN HA 87 LYS+ QD 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1282, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 1362, 1363,
&end
#
# 84 ILE H 84 ILE HB 2.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, 1298, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 84 ILE H 84 ILE QD1 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 1307, 1308, 1309,
&end
#
# 84 ILE QG2 84 ILE HG1- 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 1300, 1301, 1302,
igr2= 1304, 1305,
&end
#
# 84 ILE HA 84 ILE QG2 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 1300, 1301, 1302,
&end
#
# 84 ILE HA 84 ILE HG1- 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 1304, 1305,
&end
#
# 84 ILE HA 84 ILE QD1 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 1307, 1308, 1309,
&end
#
# 84 ILE H 85 LYS+ H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, 1313, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 84 ILE QD1 85 LYS+ H 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1313, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 1307, 1308, 1309,
&end
#
# 84 ILE QG2 85 LYS+ H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1313, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1300, 1301, 1302,
&end
#
# 84 ILE H 86 HIS H 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, 1335, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 84 ILE HA 86 HIS H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1335, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 84 ILE QD1 86 HIS H 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1335, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1307, 1308, 1309,
&end
#
# 84 ILE QG2 86 HIS H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1335, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1300, 1301, 1302,
&end
#
# 84 ILE H 86 HIS QB 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1294, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 1339, 1340,
&end
#
# 84 ILE QD1 86 HIS QB 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 1307, 1308, 1309,
igr2= 1339, 1340,
&end
#
# 84 ILE HA 87 LYS+ H 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1352, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 84 ILE QD1 87 LYS+ QE 6.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 1307, 1308, 1309,
igr2= 1365, 1366,
&end
#
# 84 ILE HA 87 LYS+ QB 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1356, 1357,
&end
#
# 84 ILE QD1 87 LYS+ HG+ 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 1307, 1308, 1309,
igr2= 1359, 1360,
&end
#
# 84 ILE QD1 87 LYS+ HG- 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 1307, 1308, 1309,
igr2= 1359, 1360,
&end
#
# 84 ILE HA 87 LYS+ HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1359, 1360,
&end
#
# 84 ILE HA 87 LYS+ HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1359, 1360,
&end
#
# 84 ILE HA 87 LYS+ QD 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 1362, 1363,
&end
#
# 84 ILE HA 87 LYS+ HA 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1354, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 84 ILE HA 88 LEU H 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, 1374, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 84 ILE HA 88 LEU QQD 6.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1296, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 85 LYS+ H 85 LYS+ QE 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 1326, 1327,
&end
#
# 85 LYS+ H 85 LYS+ HG+ 3.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 1320, 1321,
&end
#
# 85 LYS+ H 85 LYS+ HG- 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 1320, 1321,
&end
#
# 85 LYS+ HA 85 LYS+ HG- 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1320, 1321,
&end
#
# 85 LYS+ HA 85 LYS+ HD- 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 1323, 1324,
&end
#
# 85 LYS+ HG- 85 LYS+ QE 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 1320, 1321,
igr2= 1326, 1327,
&end
#
# 85 LYS+ HG+ 85 LYS+ QE 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 1320, 1321,
igr2= 1326, 1327,
&end
#
# 85 LYS+ HA 85 LYS+ QE 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1326, 1327,
&end
#
# 85 LYS+ HB- 85 LYS+ QE 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 1317, 1318,
igr2= 1326, 1327,
&end
#
# 85 LYS+ HB+ 85 LYS+ HE+ 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 1317, 1318,
igr2= 1326, 1327,
&end
#
# 85 LYS+ HB+ 85 LYS+ HE- 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 1317, 1318,
igr2= 1326, 1327,
&end
#
# 85 LYS+ H 86 HIS H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, 1335, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 85 LYS+ HB- 86 HIS H 3.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1335, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1= 1317, 1318,
&end
#
# 85 LYS+ HA 86 HIS HA 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 85 LYS+ HB- 86 HIS QB 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 1317, 1318,
igr2= 1339, 1340,
&end
#
# 85 LYS+ HA 87 LYS+ H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1352, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 85 LYS+ H 87 LYS+ H 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, 1352, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 85 LYS+ HA 88 LEU H 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1374, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 85 LYS+ H 88 LEU H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, 1374, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 85 LYS+ H 88 LEU QQD 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 85 LYS+ H 88 LEU QQD 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1313, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 85 LYS+ HA 88 LEU QQD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 85 LYS+ HA 88 LEU HG 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1381, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 85 LYS+ HA 88 LEU QB 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 1378, 1379,
&end
#
# 85 LYS+ HA 88 LEU QQD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 85 LYS+ HA 89 ARG+ H 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1315, 1393, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 86 HIS H 86 HIS HD2 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, 1348, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 86 HIS H 86 HIS QB 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 1339, 1340,
&end
#
# 86 HIS HA 86 HIS HD2 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1348, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 86 HIS QB 86 HIS HD2 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1348, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 1339, 1340,
&end
#
# 86 HIS QB 86 HIS HE1 6.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1345, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 1339, 1340,
&end
#
# 86 HIS QB 87 LYS+ H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1352, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 1339, 1340,
&end
#
# 86 HIS H 87 LYS+ H 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, 1352, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 86 HIS HA 87 LYS+ QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1362, 1363,
&end
#
# 86 HIS QB 87 LYS+ HG+ 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 1339, 1340,
igr2= 1359, 1360,
&end
#
# 86 HIS QB 87 LYS+ QD 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1339, 1340,
igr2= 1362, 1363,
&end
#
# 86 HIS QB 87 LYS+ QB 6.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 1339, 1340,
igr2= 1356, 1357,
&end
#
# 86 HIS QB 87 LYS+ HG- 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 1339, 1340,
igr2= 1359, 1360,
&end
#
# 86 HIS HD2 87 LYS+ QE 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1348, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 1365, 1366,
&end
#
# 86 HIS HD2 87 LYS+ QD 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1348, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 1362, 1363,
&end
#
# 86 HIS HD2 87 LYS+ QB 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1348, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 1356, 1357,
&end
#
# 86 HIS HA 87 LYS+ HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1354, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 86 HIS HD2 87 LYS+ HG+ 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1348, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 1359, 1360,
&end
#
# 86 HIS HD2 87 LYS+ HG- 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1348, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 1359, 1360,
&end
#
# 86 HIS H 88 LEU H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, 1374, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 86 HIS HA 88 LEU H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1374, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 86 HIS H 88 LEU QQD 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1335, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 86 HIS QB 88 LEU QQD 8.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 1339, 1340,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 86 HIS HA 89 ARG+ H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1393, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 86 HIS HA 89 ARG+ HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1400, 1401,
&end
#
# 86 HIS HA 89 ARG+ QB 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1397, 1398,
&end
#
# 86 HIS HA 89 ARG+ HG+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1400, 1401,
&end
#
# 86 HIS HA 90 GLN H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1337, 1417, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 87 LYS+ H 87 LYS+ HA 3.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, 1354, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 87 LYS+ H 87 LYS+ QE 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 1365, 1366,
&end
#
# 87 LYS+ H 87 LYS+ QB 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 1356, 1357,
&end
#
# 87 LYS+ H 87 LYS+ QD 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 1362, 1363,
&end
#
# 87 LYS+ HG+ 87 LYS+ QE 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 1359, 1360,
igr2= 1365, 1366,
&end
#
# 87 LYS+ HA 87 LYS+ HG- 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1354, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 1359, 1360,
&end
#
# 87 LYS+ HA 87 LYS+ HG+ 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1354, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 1359, 1360,
&end
#
# 87 LYS+ H 87 LYS+ QG 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 1359, 1360,
&end
#
# 87 LYS+ QB 87 LYS+ QD 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 1356, 1357,
igr2= 1362, 1363,
&end
#
# 87 LYS+ HA 87 LYS+ QD 3.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1354, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 1362, 1363,
&end
#
# 87 LYS+ HG- 87 LYS+ QD 3.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 1359, 1360,
igr2= 1362, 1363,
&end
#
# 87 LYS+ HG+ 87 LYS+ QD 3.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 1359, 1360,
igr2= 1362, 1363,
&end
#
# 87 LYS+ HA 87 LYS+ QE 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1354, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1365, 1366,
&end
#
# 87 LYS+ QB 87 LYS+ QE 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 1356, 1357,
igr2= 1365, 1366,
&end
#
# 87 LYS+ QD 87 LYS+ QE 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 1362, 1363,
igr2= 1365, 1366,
&end
#
# 87 LYS+ HG- 87 LYS+ QE 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 1359, 1360,
igr2= 1365, 1366,
&end
#
# 87 LYS+ H 88 LEU H 3.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, 1374, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 87 LYS+ QB 88 LEU H 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 1356, 1357,
&end
#
# 87 LYS+ QD 88 LEU H 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1374, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 1362, 1363,
&end
#
# 87 LYS+ H 88 LEU QQD 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1352, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 87 LYS+ QB 88 LEU HG 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1381, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 1356, 1357,
&end
#
# 87 LYS+ QB 88 LEU QQD 6.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 1356, 1357,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 87 LYS+ HA 90 GLN H 4.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1354, 1417, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 87 LYS+ QD 90 GLN H 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 1362, 1363,
&end
#
# 87 LYS+ QG 90 GLN QG 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 1359, 1360,
igr2= 1424, 1425,
&end
#
# 87 LYS+ HA 90 GLN QG 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1354, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 1424, 1425,
&end
#
# 88 LEU H 88 LEU HB+ 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 1378, 1379,
&end
#
# 88 LEU H 88 LEU HB- 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 1378, 1379,
&end
#
# 88 LEU H 88 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HA 88 LEU HG 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, 1381, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 88 LEU HB+ 88 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 1378, 1379,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HB- 88 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 1378, 1379,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HA 88 LEU QQD 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HB- 88 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 1378, 1379,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HB+ 88 LEU QQD 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 1378, 1379,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HA 88 LEU QQD 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU QB 89 ARG+ H 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1393, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 1378, 1379,
&end
#
# 88 LEU H 89 ARG+ H 3.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, 1393, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 88 LEU QQD 89 ARG+ QD 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
igr2= 1403, 1404,
&end
#
# 88 LEU QQD 89 ARG+ QD 7.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
igr2= 1403, 1404,
&end
#
# 88 LEU H 90 GLN H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1374, 1417, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 88 LEU QQD 90 GLN H 7.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 88 LEU HA 91 GLN HE2- 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 1446, 1447,
&end
#
# 88 LEU QB 91 GLN HE2- 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 1378, 1379,
igr2= 1446, 1447,
&end
#
# 88 LEU HG 91 GLN HE2+ 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1381, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 1446, 1447,
&end
#
# 88 LEU HA 91 GLN HE2+ 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 1446, 1447,
&end
#
# 88 LEU QQD 91 GLN QG 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
igr2= 1441, 1442,
&end
#
# 88 LEU QB 91 GLN QG 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 1378, 1379,
igr2= 1441, 1442,
&end
#
# 88 LEU HA 91 GLN QG 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1376, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 1441, 1442,
&end
#
# 89 ARG+ H 89 ARG+ QB 3.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 1397, 1398,
&end
#
# 89 ARG+ H 89 ARG+ QG 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 1400, 1401,
&end
#
# 89 ARG+ QG 89 ARG+ QD 3.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 1400, 1401,
igr2= 1403, 1404,
&end
#
# 89 ARG+ QB 89 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= 1397, 1398,
igr2= 1403, 1404,
&end
#
# 89 ARG+ HA 89 ARG+ QD 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 1403, 1404,
&end
#
# 89 ARG+ HA 89 ARG+ QG 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 1400, 1401,
&end
#
# 89 ARG+ HA 89 ARG+ QB 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 1397, 1398,
&end
#
# 89 ARG+ QB 89 ARG+ HG+ 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 1397, 1398,
igr2= 1400, 1401,
&end
#
# 89 ARG+ QB 89 ARG+ HG- 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 1397, 1398,
igr2= 1400, 1401,
&end
#
# 89 ARG+ H 89 ARG+ QD 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 1403, 1404,
&end
#
# 89 ARG+ H 90 GLN H 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, 1417, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 89 ARG+ QD 90 GLN H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1403, 1404,
&end
#
# 89 ARG+ QB 90 GLN H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 1397, 1398,
&end
#
# 89 ARG+ QG 90 GLN H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1417, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1400, 1401,
&end
#
# 89 ARG+ H 91 GLN QG 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 1441, 1442,
&end
#
# 90 GLN H 90 GLN HA 3.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1417, 1419, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 90 GLN H 90 GLN HB+ 3.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1417, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 1421, 1422,
&end
#
# 90 GLN H 90 GLN HB- 3.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1417, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 1421, 1422,
&end
#
# 90 GLN QG 90 GLN HE2- 2.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 1424, 1425,
igr2= 1429, 1430,
&end
#
# 90 GLN HA 90 GLN QG 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1419, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 1424, 1425,
&end
#
# 90 GLN QB 91 GLN H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1434, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 1421, 1422,
&end
#
# 90 GLN H 91 GLN H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1417, 1434, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 90 GLN H 91 GLN QG 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1417, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 1441, 1442,
&end
#
# 91 GLN QG 91 GLN HE2- 2.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 1441, 1442,
igr2= 1446, 1447,
&end
#
# 91 GLN HB+ 91 GLN HE2- 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 1438, 1439,
igr2= 1446, 1447,
&end
#
# 91 GLN HB- 91 GLN HE2- 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 1438, 1439,
igr2= 1446, 1447,
&end
#
# 91 GLN H 91 GLN HA 2.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1434, 1436, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 91 GLN H 91 GLN QG 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1434, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 1441, 1442,
&end
#
# 91 GLN H 91 GLN QB 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1434, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 1438, 1439,
&end
#
# 91 GLN HA 91 GLN QG 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 1441, 1442,
&end
#
# 91 GLN HA 91 GLN QB 3.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 1438, 1439,
&end
#
# 91 GLN HA 92 GLN H 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, 1451, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 91 GLN QB 92 GLN H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1451, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 1438, 1439,
&end
#
# 92 GLN H 92 GLN HA 3.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1451, 1453, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 92 GLN H 92 GLN QG 3.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1451, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 1458, 1459,
&end
#
# 92 GLN QG 92 GLN QE2 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 1458, 1459,
igr2= 1463, 1464,
&end
#
# 92 GLN HA 92 GLN QG 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1453, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1458, 1459,
&end
#
# 97 HIS HA 97 HIS HD2 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, 1495, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 97 HIS HA 98 MET QG 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 1506, 1507,
&end
#
# 97 HIS HA 98 MET HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1503, 1504,
&end
#
# 97 HIS HA 98 MET HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1484, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1503, 1504,
&end
#
# 98 MET HA 98 MET QG 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1501, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 1506, 1507,
&end
#
# 98 MET HB- 99 ALA H 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1516, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 1503, 1504,
&end
#
# 98 MET HB+ 99 ALA H 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1516, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 1503, 1504,
&end
#
# 98 MET HG- 99 ALA H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1516, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1506, 1507,
&end
#
# 98 MET HG+ 99 ALA H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1516, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1506, 1507,
&end
#
# 98 MET HA 99 ALA H 2.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1501, 1516, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 98 MET QB 99 ALA HA 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1518, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 1503, 1504,
&end
#
# 99 ALA H 99 ALA QB 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1516, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 1520, 1521, 1522,
&end
#
# 99 ALA H 100 PRO HD- 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1516, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 1527, 1528,
&end
#
# 99 ALA H 100 PRO HD+ 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1516, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 1527, 1528,
&end
#
# 99 ALA HA 100 PRO QG 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1518, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 1530, 1531,
&end
#
# 99 ALA HA 100 PRO QB 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1518, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 1533, 1534,
&end
#
# 99 ALA HA 100 PRO HD- 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1518, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 1527, 1528,
&end
#
# 99 ALA HA 100 PRO HD+ 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1518, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 1527, 1528,
&end
#
# 99 ALA QB 100 PRO QG 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 1520, 1521, 1522,
igr2= 1530, 1531,
&end
#
# 99 ALA QB 100 PRO QB 7.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 1520, 1521, 1522,
igr2= 1533, 1534,
&end
#
# 99 ALA QB 100 PRO HD+ 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 1520, 1521, 1522,
igr2= 1527, 1528,
&end
#
# 99 ALA QB 100 PRO HD- 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 1520, 1521, 1522,
igr2= 1527, 1528,
&end
#
# 99 ALA QB 101 GLU- HA 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1542, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 1520, 1521, 1522,
&end
#
# 100 PRO HD- 101 GLU- H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1540, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 1527, 1528,
&end
#
# 100 PRO HD+ 101 GLU- H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1540, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 1527, 1528,
&end
#
# 100 PRO QG 102 ASP- QB 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 1530, 1531,
igr2= 1559, 1560,
&end
#
# 101 GLU- H 101 GLU- HG- 3.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1540, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 1547, 1548,
&end
#
# 101 GLU- HA 101 GLU- QB 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1542, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 1544, 1545,
&end
#
# 101 GLU- HA 101 GLU- HG- 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1542, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1547, 1548,
&end
#
# 101 GLU- QB 101 GLU- HG- 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 1544, 1545,
igr2= 1547, 1548,
&end
#
# 101 GLU- HA 101 GLU- HG+ 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1542, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 1547, 1548,
&end
#
# 101 GLU- H 102 ASP- QB 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1540, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 1559, 1560,
&end
#
# 101 GLU- H 102 ASP- HA 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1540, 1557, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 101 GLU- QB 102 ASP- H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1555, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 1544, 1545,
&end
#
# 101 GLU- HG+ 102 ASP- H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1555, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 1547, 1548,
&end
#
# 101 GLU- HA 102 ASP- H 2.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1542, 1555, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 101 GLU- HA 102 ASP- HB- 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1542, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 1559, 1560,
&end
#
# 101 GLU- HA 102 ASP- HB+ 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1542, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 1559, 1560,
&end
#
# 101 GLU- HA 102 ASP- HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1542, 1557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 GLU- HG- 102 ASP- HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1557, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1547, 1548,
&end
#
# 101 GLU- HG+ 102 ASP- HA 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1557, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 1547, 1548,
&end
#
# 101 GLU- QB 102 ASP- HA 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1557, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 1544, 1545,
&end
#
# 101 GLU- HG+ 102 ASP- QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1547, 1548,
igr2= 1559, 1560,
&end
#
# 102 ASP- H 102 ASP- HB- 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1555, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 1559, 1560,
&end
#
# 102 ASP- H 102 ASP- HB+ 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1555, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 1559, 1560,
&end
#
# 102 ASP- H 103 PRO QD 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1555, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1568, 1569,
&end
#
# 102 ASP- H 103 PRO HA 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1555, 1577, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 102 ASP- HA 103 PRO HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1557, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1574, 1575,
&end
#
# 102 ASP- HA 103 PRO HB+ 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1557, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 1574, 1575,
&end
#
# 102 ASP- HA 103 PRO HG+ 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1557, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 1571, 1572,
&end
#
# 102 ASP- HA 103 PRO HG- 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1557, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 1571, 1572,
&end
#
# 102 ASP- H 104 ASN H 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1555, 1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 102 ASP- QB 104 ASN H 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1581, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 1559, 1560,
&end
#
# 102 ASP- HA 104 ASN H 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1557, 1581, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 102 ASP- H 105 GLU- H 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1555, 1595, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 102 ASP- QB 105 GLU- H 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1595, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 1559, 1560,
&end
#
# 102 ASP- QB 105 GLU- QB 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 1559, 1560,
igr2= 1599, 1600,
&end
#
# 103 PRO QG 104 ASN H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1581, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 1571, 1572,
&end
#
# 103 PRO HB- 104 ASN H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1581, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 1574, 1575,
&end
#
# 103 PRO QD 104 ASN H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1581, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 1568, 1569,
&end
#
# 103 PRO HB- 104 ASN HA 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1583, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 1574, 1575,
&end
#
# 103 PRO QD 105 GLU- H 6.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1595, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 1568, 1569,
&end
#
# 103 PRO HA 105 GLU- H 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1577, 1595, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 104 ASN H 104 ASN QB 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 1585, 1586,
&end
#
# 104 ASN H 104 ASN QD2 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 1590, 1591,
&end
#
# 104 ASN QB 104 ASN HD2+ 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 1585, 1586,
igr2= 1590, 1591,
&end
#
# 104 ASN QB 104 ASN HD2- 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 1585, 1586,
igr2= 1590, 1591,
&end
#
# 104 ASN H 105 GLU- QB 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 1599, 1600,
&end
#
# 104 ASN H 105 GLU- QG 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 1602, 1603,
&end
#
# 104 ASN H 105 GLU- HA 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, 1597, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 104 ASN H 105 GLU- H 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, 1595, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 104 ASN QB 105 GLU- H 5.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1595, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 1585, 1586,
&end
#
# 104 ASN H 106 GLU- H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, 1610, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 104 ASN HA 106 GLU- H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1583, 1610, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 104 ASN QB 107 ALA H 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1625, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 1585, 1586,
&end
#
# 104 ASN HA 107 ALA H 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1583, 1625, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 104 ASN HA 107 ALA QB 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1583, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1629, 1630, 1631,
&end
#
# 104 ASN QB 107 ALA QB 7.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 1585, 1586,
igr2= 1629, 1630, 1631,
&end
#
# 104 ASN H 108 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1581, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 104 ASN QB 108 VAL H 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1635, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 1585, 1586,
&end
#
# 104 ASN HA 108 VAL H 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1583, 1635, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 104 ASN QB 108 VAL HB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1639, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 1585, 1586,
&end
#
# 104 ASN HA 108 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1583, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 104 ASN QB 108 VAL QQG 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1585, 1586,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 104 ASN QB 108 VAL QQG 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1585, 1586,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 105 GLU- H 105 GLU- QB 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1595, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 1599, 1600,
&end
#
# 105 GLU- H 105 GLU- QG 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1595, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 1602, 1603,
&end
#
# 105 GLU- HA 105 GLU- QG 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1597, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1602, 1603,
&end
#
# 105 GLU- H 106 GLU- QB 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1595, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 1614, 1615,
&end
#
# 105 GLU- H 106 GLU- HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1595, 1612, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 105 GLU- QG 106 GLU- H 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1610, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 1602, 1603,
&end
#
# 105 GLU- H 106 GLU- H 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1595, 1610, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 105 GLU- HA 106 GLU- HA 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1597, 1612, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 105 GLU- QG 107 ALA H 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1625, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 1602, 1603,
&end
#
# 105 GLU- H 107 ALA H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1595, 1625, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 105 GLU- HA 108 VAL H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1597, 1635, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 105 GLU- H 108 VAL H 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1595, 1635, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 105 GLU- HA 108 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1597, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 105 GLU- HA 108 VAL HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1597, 1637, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 105 GLU- QG 108 VAL QQG 8.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 1602, 1603,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 105 GLU- HA 108 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1597, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 105 GLU- HA 109 SER H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1597, 1651, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 106 GLU- H 106 GLU- QB 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1610, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 1614, 1615,
&end
#
# 106 GLU- HA 106 GLU- QG 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1612, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 1617, 1618,
&end
#
# 106 GLU- H 107 ALA QB 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1610, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 1629, 1630, 1631,
&end
#
# 106 GLU- H 107 ALA H 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1610, 1625, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 106 GLU- QB 107 ALA H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1625, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 1614, 1615,
&end
#
# 106 GLU- QG 107 ALA H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1625, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1617, 1618,
&end
#
# 106 GLU- QB 107 ALA HA 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1627, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 1614, 1615,
&end
#
# 106 GLU- H 108 VAL H 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1610, 1635, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 106 GLU- QB 109 SER H 6.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1651, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 1614, 1615,
&end
#
# 106 GLU- H 109 SER H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1610, 1651, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 106 GLU- QB 109 SER QB 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 1614, 1615,
igr2= 1655, 1656,
&end
#
# 106 GLU- QG 109 SER QB 6.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 1617, 1618,
igr2= 1655, 1656,
&end
#
# 107 ALA H 107 ALA QB 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1625, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 1629, 1630, 1631,
&end
#
# 107 ALA H 108 VAL QQG 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1625, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 107 ALA H 108 VAL H 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1625, 1635, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 107 ALA QB 108 VAL H 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1635, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 1629, 1630, 1631,
&end
#
# 107 ALA HA 108 VAL QQG 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1627, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 107 ALA QB 108 VAL QQG 8.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 1629, 1630, 1631,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 107 ALA QB 108 VAL QQG 8.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 1629, 1630, 1631,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 107 ALA QB 109 SER H 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1651, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 1629, 1630, 1631,
&end
#
# 107 ALA H 110 GLN HG- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1625, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1669, 1670,
&end
#
# 107 ALA QB 110 GLN H 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1662, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 1629, 1630, 1631,
&end
#
# 107 ALA HA 110 GLN QB 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1627, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 1666, 1667,
&end
#
# 107 ALA HA 110 GLN HE2- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1627, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1674, 1675,
&end
#
# 107 ALA QB 110 GLN HE2- 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 1629, 1630, 1631,
igr2= 1674, 1675,
&end
#
# 107 ALA HA 110 GLN HG- 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1627, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 1669, 1670,
&end
#
# 107 ALA QB 110 GLN HG- 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 1629, 1630, 1631,
igr2= 1669, 1670,
&end
#
# 107 ALA QB 110 GLN HG+ 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 1629, 1630, 1631,
igr2= 1669, 1670,
&end
#
# 107 ALA HA 111 ILE HG1+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1627, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1689, 1690,
&end
#
# 107 ALA QB 111 ILE QD1 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1629, 1630, 1631,
igr2= 1692, 1693, 1694,
&end
#
# 108 VAL H 108 VAL QQG 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1635, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL H 108 VAL QQG 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1635, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL H 108 VAL HB 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1635, 1639, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 108 VAL H 108 VAL HA 2.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1635, 1637, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 108 VAL HA 108 VAL QQG 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1637, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL HA 108 VAL QQG 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1637, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL QQG 109 SER H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1651, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL QQG 109 SER H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1651, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL HB 109 SER H 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1639, 1651, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 108 VAL H 109 SER H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1635, 1651, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 108 VAL QQG 110 GLN H 7.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1662, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL HA 111 ILE H 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1637, 1679, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 108 VAL HA 111 ILE HG1+ 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1637, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 1689, 1690,
&end
#
# 108 VAL QQG 111 ILE HB 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1683, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL QQG 111 ILE HB 6.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1683, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL HA 111 ILE HB 4.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1637, 1683, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 108 VAL QQG 111 ILE HG1+ 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
igr2= 1689, 1690,
&end
#
# 108 VAL HA 111 ILE QD1 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1637, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 1692, 1693, 1694,
&end
#
# 108 VAL HB 111 ILE QD1 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1639, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1692, 1693, 1694,
&end
#
# 108 VAL QQG 112 PHE H 8.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1698, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL HB 112 PHE H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1639, 1698, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 108 VAL HA 112 PHE H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1637, 1698, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 108 VAL QQG 112 PHE HA 8.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1700, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 108 VAL QQG 113 PRO HA 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1728, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1641, 1642, 1643, 1645, 1646, 1647,
&end
#
# 109 SER H 109 SER QB 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1651, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 1655, 1656,
&end
#
# 109 SER QB 110 GLN H 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1662, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 1655, 1656,
&end
#
# 109 SER H 110 GLN HG- 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1651, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 1669, 1670,
&end
#
# 109 SER H 110 GLN H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1651, 1662, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 109 SER QB 110 GLN QB 6.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 1655, 1656,
igr2= 1666, 1667,
&end
#
# 109 SER H 111 ILE HG1+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1651, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1689, 1690,
&end
#
# 109 SER H 111 ILE H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1651, 1679, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 109 SER HA 112 PHE H 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1653, 1698, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 109 SER HA 112 PHE QB 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1653, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 1702, 1703,
&end
#
# 109 SER H 113 PRO HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1651, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1725, 1726,
&end
#
# 109 SER H 113 PRO HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1651, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1725, 1726,
&end
#
# 109 SER QB 113 PRO QB 6.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 1655, 1656,
igr2= 1725, 1726,
&end
#
# 109 SER HA 113 PRO HA 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1653, 1728, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 109 SER HA 113 PRO QB 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1653, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 1725, 1726,
&end
#
# 110 GLN H 110 GLN HB- 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 1666, 1667,
&end
#
# 110 GLN H 110 GLN HB+ 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 1666, 1667,
&end
#
# 110 GLN H 110 GLN HG- 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 1669, 1670,
&end
#
# 110 GLN HG- 110 GLN HE2- 3.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 1669, 1670,
igr2= 1674, 1675,
&end
#
# 110 GLN QB 110 GLN HE2- 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 1666, 1667,
igr2= 1674, 1675,
&end
#
# 110 GLN QB 110 GLN HE2+ 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 1666, 1667,
igr2= 1674, 1675,
&end
#
# 110 GLN HG- 110 GLN HE2+ 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 1669, 1670,
igr2= 1674, 1675,
&end
#
# 110 GLN HA 110 GLN HG- 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1664, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 1669, 1670,
&end
#
# 110 GLN HA 110 GLN HG+ 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1664, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1669, 1670,
&end
#
# 110 GLN H 111 ILE QD1 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 1692, 1693, 1694,
&end
#
# 110 GLN H 111 ILE HG1+ 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 1689, 1690,
&end
#
# 110 GLN H 111 ILE HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, 1683, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 110 GLN H 111 ILE HA 5.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, 1681, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 110 GLN H 111 ILE H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, 1679, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 110 GLN HB- 111 ILE H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1679, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 1666, 1667,
&end
#
# 110 GLN HB+ 111 ILE H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1679, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 1666, 1667,
&end
#
# 110 GLN HG- 111 ILE H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1679, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1669, 1670,
&end
#
# 110 GLN QB 111 ILE QD1 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 1666, 1667,
igr2= 1692, 1693, 1694,
&end
#
# 110 GLN HG- 111 ILE HG1+ 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 1669, 1670,
igr2= 1689, 1690,
&end
#
# 110 GLN HG- 111 ILE QD1 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 1669, 1670,
igr2= 1692, 1693, 1694,
&end
#
# 110 GLN HG+ 111 ILE QD1 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 1669, 1670,
igr2= 1692, 1693, 1694,
&end
#
# 110 GLN HG+ 111 ILE HG1+ 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 1669, 1670,
igr2= 1689, 1690,
&end
#
# 110 GLN QB 111 ILE HG1+ 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 1666, 1667,
igr2= 1689, 1690,
&end
#
# 110 GLN H 112 PHE H 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1662, 1698, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 111 ILE H 111 ILE QD1 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1679, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 1692, 1693, 1694,
&end
#
# 111 ILE H 111 ILE HG1+ 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1679, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 1689, 1690,
&end
#
# 111 ILE H 111 ILE HB 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1679, 1683, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 111 ILE H 111 ILE QG2 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1679, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 1685, 1686, 1687,
&end
#
# 111 ILE HA 111 ILE HG1+ 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1681, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 1689, 1690,
&end
#
# 111 ILE QG2 111 ILE HG1+ 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1685, 1686, 1687,
igr2= 1689, 1690,
&end
#
# 111 ILE HA 111 ILE QG2 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1681, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 1685, 1686, 1687,
&end
#
# 111 ILE QG2 111 ILE QD1 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 1685, 1686, 1687,
igr2= 1692, 1693, 1694,
&end
#
# 111 ILE HA 111 ILE QD1 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1681, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 1692, 1693, 1694,
&end
#
# 111 ILE HB 111 ILE QD1 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 1692, 1693, 1694,
&end
#
# 111 ILE QD1 112 PHE H 6.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1698, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 1692, 1693, 1694,
&end
#
# 111 ILE HG1+ 112 PHE H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1698, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 1689, 1690,
&end
#
# 111 ILE HB 112 PHE H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1683, 1698, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 111 ILE H 112 PHE H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1679, 1698, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 111 ILE QG2 112 PHE H 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1698, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 1685, 1686, 1687,
&end
#
# 111 ILE HG1+ 112 PHE QE 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 1689, 1690,
igr2= 1708, 1712,
&end
#
# 111 ILE QG2 112 PHE QE 7.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 1685, 1686, 1687,
igr2= 1708, 1712,
&end
#
# 111 ILE QG2 112 PHE QD 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1685, 1686, 1687,
igr2= 1706, 1714,
&end
#
# 111 ILE QG2 112 PHE HA 7.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1700, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 1685, 1686, 1687,
&end
#
# 111 ILE QD1 112 PHE QE 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 1692, 1693, 1694,
igr2= 1708, 1712,
&end
#
# 111 ILE QD1 112 PHE QD 7.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 1692, 1693, 1694,
igr2= 1706, 1714,
&end
#
# 111 ILE QG2 119 ALA QB 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1685, 1686, 1687,
igr2= 1811, 1812, 1813,
&end
#
# 111 ILE QG2 124 ILE HA 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1874, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 1685, 1686, 1687,
&end
#
# 111 ILE QG2 124 ILE HB 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1876, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 1685, 1686, 1687,
&end
#
# 111 ILE QG2 124 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= 1685, 1686, 1687,
igr2= 1885, 1886, 1887,
&end
#
# 111 ILE QD1 124 ILE HB 6.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1876, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 1692, 1693, 1694,
&end
#
# 111 ILE QD1 124 ILE QG2 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 1692, 1693, 1694,
igr2= 1878, 1879, 1880,
&end
#
# 112 PHE H 112 PHE QB 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1698, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 1702, 1703,
&end
#
# 112 PHE HA 112 PHE HD1 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1700, 1706, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 112 PHE H 113 PRO QD 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1698, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 1719, 1720,
&end
#
# 112 PHE H 113 PRO HA 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1698, 1728, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 112 PHE QB 116 VAL QQG 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 1702, 1703,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 112 PHE QB 116 VAL QQG 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 1702, 1703,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 112 PHE QE 119 ALA QB 7.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 1708, 1712,
igr2= 1811, 1812, 1813,
&end
#
# 112 PHE QB 119 ALA QB 8.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 1702, 1703,
igr2= 1811, 1812, 1813,
&end
#
# 112 PHE QE 124 ILE QD1 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1708, 1712,
igr2= 1885, 1886, 1887,
&end
#
# 113 PRO HA 116 VAL QQG 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 113 PRO QD 116 VAL QQG 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 1719, 1720,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 113 PRO QD 116 VAL QQG 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 1719, 1720,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 113 PRO QG 116 VAL QQG 6.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 1722, 1723,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 113 PRO QG 116 VAL QQG 6.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 1722, 1723,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 113 PRO QB 116 VAL QQG 7.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 1725, 1726,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 115 SER HA 116 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1746, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 115 SER HA 116 VAL QQG 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1746, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL H 116 VAL QQG 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1755, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL H 116 VAL QQG 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1755, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL H 116 VAL HB 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1755, 1759, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 116 VAL HA 116 VAL QQG 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1757, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL HA 116 VAL QQG 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1757, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL QQG 117 MET H 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1771, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL HB 117 MET H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1759, 1771, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 116 VAL QQG 117 MET QB 8.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1= 1761, 1762, 1763, 1765, 1766, 1767,
igr2= 1775, 1776,
&end
#
# 116 VAL H 118 LEU H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1755, 1788, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 116 VAL HA 118 LEU H 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1757, 1788, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 116 VAL HB 118 LEU H 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1759, 1788, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 116 VAL QQG 118 LEU H 6.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1788, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL QQG 118 LEU HB+ 6.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 1761, 1762, 1763, 1765, 1766, 1767,
igr2= 1792, 1793,
&end
#
# 116 VAL QQG 118 LEU HG 7.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1795, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 116 VAL QQG 118 LEU HB- 6.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 1761, 1762, 1763, 1765, 1766, 1767,
igr2= 1792, 1793,
&end
#
# 116 VAL QQG 119 ALA H 6.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1807, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 1761, 1762, 1763, 1765, 1766, 1767,
&end
#
# 117 MET H 117 MET QE 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1771, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 1782, 1783, 1784,
&end
#
# 117 MET H 117 MET QB 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1771, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 1775, 1776,
&end
#
# 117 MET HA 117 MET QE 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1773, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 1782, 1783, 1784,
&end
#
# 117 MET HB+ 117 MET QE 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 1775, 1776,
igr2= 1782, 1783, 1784,
&end
#
# 117 MET HB- 117 MET QE 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 1775, 1776,
igr2= 1782, 1783, 1784,
&end
#
# 117 MET H 118 LEU HA 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1771, 1790, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 117 MET H 118 LEU H 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1771, 1788, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 117 MET HA 118 LEU H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1773, 1788, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 117 MET QB 118 LEU H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1788, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 1775, 1776,
&end
#
# 117 MET H 119 ALA H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1771, 1807, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 117 MET QB 119 ALA H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1807, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1775, 1776,
&end
#
# 118 LEU H 118 LEU HB+ 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1788, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 1792, 1793,
&end
#
# 118 LEU HA 118 LEU QQD 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU HA 118 LEU QQD 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU HB+ 118 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= 1792, 1793,
igr2= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU HB+ 118 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= 1792, 1793,
igr2= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU HB- 118 LEU QQD 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 1792, 1793,
igr2= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU H 119 ALA H 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1788, 1807, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 118 LEU HA 120 VAL QQG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 118 LEU H 121 GLN QG 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1788, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 1840, 1841,
&end
#
# 118 LEU QQD 121 GLN H 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1833, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU HA 121 GLN HE2+ 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 1845, 1846,
&end
#
# 118 LEU QQD 121 GLN HE2+ 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1845, 1846,
&end
#
# 118 LEU QQD 121 GLN HE2- 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1845, 1846,
&end
#
# 118 LEU HA 121 GLN HE2- 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 1845, 1846,
&end
#
# 118 LEU HB+ 121 GLN HE2- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1792, 1793,
igr2= 1845, 1846,
&end
#
# 118 LEU HG 121 GLN HE2- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1795, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1845, 1846,
&end
#
# 118 LEU QQD 121 GLN HA 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1835, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU HA 121 GLN QB 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 1837, 1838,
&end
#
# 118 LEU HA 121 GLN QG 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1790, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 1840, 1841,
&end
#
# 118 LEU HB+ 121 GLN QG 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 1792, 1793,
igr2= 1840, 1841,
&end
#
# 118 LEU HG 121 GLN QG 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1795, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 1840, 1841,
&end
#
# 118 LEU QQD 121 GLN QG 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1840, 1841,
&end
#
# 118 LEU HB- 121 GLN QG 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 1792, 1793,
igr2= 1840, 1841,
&end
#
# 118 LEU QQD 121 GLN QG 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1840, 1841,
&end
#
# 118 LEU QQD 121 GLN QB 7.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1837, 1838,
&end
#
# 118 LEU QQD 122 GLU- H 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1850, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 118 LEU QQD 122 GLU- HB+ 6.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1854, 1855,
&end
#
# 118 LEU QQD 122 GLU- HG+ 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1857, 1858,
&end
#
# 118 LEU QQD 122 GLU- HG+ 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1857, 1858,
&end
#
# 118 LEU QQD 122 GLU- QG 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1857, 1858,
&end
#
# 118 LEU QQD 122 GLU- HG- 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1857, 1858,
&end
#
# 118 LEU HB- 122 GLU- QB 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 1792, 1793,
igr2= 1854, 1855,
&end
#
# 118 LEU HG 122 GLU- QG 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1795, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 1857, 1858,
&end
#
# 118 LEU QQD 122 GLU- HB- 6.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1854, 1855,
&end
#
# 118 LEU QQD 122 GLU- HG- 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1857, 1858,
&end
#
# 118 LEU QQD 122 GLU- HB- 6.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1854, 1855,
&end
#
# 118 LEU QQD 122 GLU- HB+ 6.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
igr2= 1854, 1855,
&end
#
# 118 LEU QQD 123 GLY H 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1865, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1797, 1798, 1799, 1801, 1802, 1803,
&end
#
# 119 ALA H 119 ALA QB 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1807, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 1811, 1812, 1813,
&end
#
# 119 ALA H 120 VAL H 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1807, 1817, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 119 ALA QB 120 VAL H 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1817, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 1811, 1812, 1813,
&end
#
# 119 ALA QB 120 VAL QQG 7.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 1811, 1812, 1813,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 119 ALA H 121 GLN QG 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1807, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 1840, 1841,
&end
#
# 119 ALA HA 122 GLU- QB 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1809, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1854, 1855,
&end
#
# 119 ALA QB 122 GLU- QG 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 1811, 1812, 1813,
igr2= 1857, 1858,
&end
#
# 119 ALA QB 122 GLU- QB 6.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 1811, 1812, 1813,
igr2= 1854, 1855,
&end
#
# 120 VAL H 120 VAL QQG 6.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1817, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL H 120 VAL QQG 6.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1817, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL HA 120 VAL QQG 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1819, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL HA 120 VAL QQG 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1819, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL HA 120 VAL QQG 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1819, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL QQG 121 GLN H 6.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1833, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL QQG 121 GLN H 6.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1833, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL H 121 GLN H 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1817, 1833, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 120 VAL H 121 GLN QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1817, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 1837, 1838,
&end
#
# 120 VAL QQG 121 GLN HE2+ 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 1823, 1824, 1825, 1827, 1828, 1829,
igr2= 1845, 1846,
&end
#
# 120 VAL QQG 121 GLN HE2- 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 1823, 1824, 1825, 1827, 1828, 1829,
igr2= 1845, 1846,
&end
#
# 120 VAL QQG 121 GLN HA 7.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1835, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 1823, 1824, 1825, 1827, 1828, 1829,
&end
#
# 120 VAL QQG 121 GLN QG 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 1823, 1824, 1825, 1827, 1828, 1829,
igr2= 1840, 1841,
&end
#
# 121 GLN H 121 GLN QB 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1833, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 1837, 1838,
&end
#
# 121 GLN H 121 GLN QG 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1833, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 1840, 1841,
&end
#
# 121 GLN QG 121 GLN HE2+ 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 1840, 1841,
igr2= 1845, 1846,
&end
#
# 121 GLN QB 121 GLN HE2+ 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1837, 1838,
igr2= 1845, 1846,
&end
#
# 121 GLN QB 121 GLN HE2- 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 1837, 1838,
igr2= 1845, 1846,
&end
#
# 121 GLN HA 121 GLN QG 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1835, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 1840, 1841,
&end
#
# 121 GLN H 122 GLU- H 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1833, 1850, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 121 GLN QG 122 GLU- H 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1850, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1840, 1841,
&end
#
# 121 GLN HA 122 GLU- H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1835, 1850, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 122 GLU- H 122 GLU- HB- 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1850, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 1854, 1855,
&end
#
# 122 GLU- H 122 GLU- HB+ 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1850, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 1854, 1855,
&end
#
# 122 GLU- H 122 GLU- HG- 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1850, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 1857, 1858,
&end
#
# 122 GLU- H 122 GLU- HG+ 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1850, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 1857, 1858,
&end
#
# 122 GLU- HA 122 GLU- QG 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1852, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 1857, 1858,
&end
#
# 122 GLU- HB- 123 GLY H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1865, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1854, 1855,
&end
#
# 122 GLU- HB+ 123 GLY H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1865, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1854, 1855,
&end
#
# 122 GLU- QG 123 GLY H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1865, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1857, 1858,
&end
#
# 122 GLU- QG 124 ILE H 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1872, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1857, 1858,
&end
#
# 122 GLU- HG+ 124 ILE HG1+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1857, 1858,
igr2= 1882, 1883,
&end
#
# 122 GLU- HG- 124 ILE HG1+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1857, 1858,
igr2= 1882, 1883,
&end
#
# 123 GLY H 124 ILE H 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1865, 1872, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 124 ILE H 124 ILE QD1 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1872, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 1885, 1886, 1887,
&end
#
# 124 ILE H 124 ILE HG1+ 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1872, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1882, 1883,
&end
#
# 124 ILE H 124 ILE HG1- 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1872, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1882, 1883,
&end
#
# 124 ILE HB 124 ILE QD1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1876, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1885, 1886, 1887,
&end
#
# 124 ILE QG2 124 ILE HG1- 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 1878, 1879, 1880,
igr2= 1882, 1883,
&end
#
# 124 ILE HA 124 ILE HG1+ 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1874, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1882, 1883,
&end
#
# 124 ILE HA 124 ILE QG2 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1874, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 1878, 1879, 1880,
&end
#
# 124 ILE QG2 124 ILE HG1+ 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 1878, 1879, 1880,
igr2= 1882, 1883,
&end
#
# 124 ILE HA 124 ILE QD1 5.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1874, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 1885, 1886, 1887,
&end
#
# 124 ILE H 125 ASP- H 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1872, 1891, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 124 ILE HG1+ 125 ASP- H 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1891, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 1882, 1883,
&end
#
# 124 ILE HB 125 ASP- H 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1876, 1891, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 124 ILE HA 125 ASP- H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1874, 1891, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 124 ILE QG2 125 ASP- QB 8.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 1878, 1879, 1880,
igr2= 1895, 1896,
&end
#
# 124 ILE QG2 126 LEU H 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1903, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 1878, 1879, 1880,
&end
#
# 124 ILE HB 126 LEU HB- 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1876, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 1907, 1908,
&end
#
# 124 ILE QG2 126 LEU HA 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1905, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1878, 1879, 1880,
&end
#
# 124 ILE HB 126 LEU QQD 6.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1876, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 125 ASP- H 125 ASP- HB- 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1891, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 1895, 1896,
&end
#
# 125 ASP- H 125 ASP- HB+ 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1891, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 1895, 1896,
&end
#
# 125 ASP- H 126 LEU HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1891, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1907, 1908,
&end
#
# 125 ASP- H 126 LEU H 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1891, 1903, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 125 ASP- HA 127 LEU HG 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1893, 1929, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 125 ASP- HA 127 LEU QQD 5.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1893, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 1931, 1932, 1933, 1935, 1936, 1937,
&end
#
# 125 ASP- QB 127 LEU QQD 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1895, 1896,
igr2= 1931, 1932, 1933, 1935, 1936, 1937,
&end
#
# 125 ASP- HA 127 LEU QQD 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1893, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 1931, 1932, 1933, 1935, 1936, 1937,
&end
#
# 125 ASP- HB+ 128 THR HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1945, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1895, 1896,
&end
#
# 125 ASP- HA 128 THR QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1893, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1947, 1948, 1949,
&end
#
# 125 ASP- HB+ 128 THR QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1895, 1896,
igr2= 1947, 1948, 1949,
&end
#
# 125 ASP- HA 128 THR HB 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1893, 1945, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 125 ASP- HB- 128 THR QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1895, 1896,
igr2= 1947, 1948, 1949,
&end
#
# 125 ASP- HB- 128 THR HB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1945, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1895, 1896,
&end
#
# 126 LEU HA 126 LEU HG 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1905, 1910, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 126 LEU HA 126 LEU QQD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1905, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 126 LEU HA 126 LEU QQD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1905, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 126 LEU QQD 127 LEU H 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1922, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 126 LEU HB- 127 LEU H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1922, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 1907, 1908,
&end
#
# 126 LEU HB- 128 THR H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1941, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 1907, 1908,
&end
#
# 126 LEU HA 128 THR H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1905, 1941, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 126 LEU QQD 128 THR QG2 8.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1947, 1948, 1949,
&end
#
# 126 LEU QQD 128 THR QG2 8.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1947, 1948, 1949,
&end
#
# 126 LEU QQD 129 PHE HA 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1957, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 126 LEU QQD 129 PHE HA 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1957, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
&end
#
# 126 LEU QQD 129 PHE QD 6.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1963, 1971,
&end
#
# 126 LEU QQD 129 PHE HB+ 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1959, 1960,
&end
#
# 126 LEU QQD 129 PHE HB- 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1959, 1960,
&end
#
# 126 LEU QQD 129 PHE HB- 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1959, 1960,
&end
#
# 126 LEU QQD 129 PHE HB+ 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1959, 1960,
&end
#
# 126 LEU QQD 129 PHE QD 6.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 1912, 1913, 1914, 1916, 1917, 1918,
igr2= 1963, 1971,
&end
#
# 126 LEU HA 129 PHE QD 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1905, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 1963, 1971,
&end
#
# 127 LEU H 127 LEU QQD 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1922, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 1931, 1932, 1933, 1935, 1936, 1937,
&end
#
# 127 LEU H 127 LEU HG 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1922, 1929, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 127 LEU HB+ 127 LEU QQD 3.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 1926, 1927,
igr2= 1931, 1932, 1933, 1935, 1936, 1937,
&end
#
# 127 LEU HB- 127 LEU QQD 3.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 1926, 1927,
igr2= 1931, 1932, 1933, 1935, 1936, 1937,
&end
#
# 127 LEU HB- 127 LEU QQD 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 1926, 1927,
igr2= 1931, 1932, 1933, 1935, 1936, 1937,
&end
#
# 127 LEU HA 127 LEU HB+ 3.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1924, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 1926, 1927,
&end
#
# 127 LEU HG 128 THR H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1929, 1941, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 127 LEU H 128 THR H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1922, 1941, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 127 LEU HG 128 THR QG2 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1929, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 1947, 1948, 1949,
&end
#
# 127 LEU HA 129 PHE HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1924, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1959, 1960,
&end
#
# 127 LEU QQD 129 PHE QD 7.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 1931, 1932, 1933, 1935, 1936, 1937,
igr2= 1963, 1971,
&end
#
# 128 THR HB 125 ASP- HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1945, 1893, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 128 THR HB 125 ASP- HB- 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1945, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1895, 1896,
&end
#
# 128 THR HB 125 ASP- HB+ 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1945, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 1895, 1896,
&end
#
# 128 THR H 128 THR QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1941, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1947, 1948, 1949,
&end
#
# 128 THR H 128 THR HB 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1941, 1945, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 128 THR HA 128 THR QG2 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 1947, 1948, 1949,
&end
#
# 128 THR QG2 129 PHE H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1955, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1947, 1948, 1949,
&end
#
# 128 THR HA 129 PHE H 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, 1955, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 128 THR H 129 PHE H 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1941, 1955, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 128 THR QG2 129 PHE HA 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 1947, 1948, 1949,
&end
#
# 128 THR HA 129 PHE HA 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, 1957, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 128 THR QG2 129 PHE QD 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 1947, 1948, 1949,
igr2= 1963, 1971,
&end
#
# 128 THR QG2 129 PHE HB+ 6.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 1947, 1948, 1949,
igr2= 1959, 1960,
&end
#
# 128 THR QG2 129 PHE HB- 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 1947, 1948, 1949,
igr2= 1959, 1960,
&end
#
# 128 THR HA 129 PHE QD 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1943, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 1963, 1971,
&end
#
# 128 THR QG2 130 PRO HD+ 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1947, 1948, 1949,
igr2= 1976, 1977,
&end
#
# 128 THR QG2 130 PRO HD- 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 1947, 1948, 1949,
igr2= 1976, 1977,
&end
#
# 129 PHE H 129 PHE HB- 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1955, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1959, 1960,
&end
#
# 129 PHE H 129 PHE HB+ 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1955, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 1959, 1960,
&end
#
# 129 PHE H 129 PHE QD 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1955, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 1963, 1971,
&end
#
# 129 PHE HA 129 PHE QD 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1957, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 1963, 1971,
&end
#
# 129 PHE H 130 PRO HD- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1955, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1976, 1977,
&end
#
# 129 PHE H 130 PRO HD+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1955, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1976, 1977,
&end
#
# 129 PHE QD 130 PRO HD- 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 1963, 1971,
igr2= 1976, 1977,
&end
#
# 129 PHE QD 130 PRO HD+ 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 1963, 1971,
igr2= 1976, 1977,
&end
#
# 129 PHE HB- 130 PRO HG- 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 1959, 1960,
igr2= 1979, 1980,
&end
#
# 129 PHE HB- 130 PRO HG+ 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1959, 1960,
igr2= 1979, 1980,
&end
#
# 129 PHE QD 130 PRO HG- 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 1963, 1971,
igr2= 1979, 1980,
&end
#
# 129 PHE HA 130 PRO HD+ 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1957, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1976, 1977,
&end
#
# 129 PHE HA 130 PRO HD- 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1957, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1976, 1977,
&end
#
# 129 PHE HA 130 PRO QB 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1957, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 1982, 1983,
&end
#
# 129 PHE HA 130 PRO HG+ 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1957, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 1979, 1980,
&end
#
# 129 PHE HB+ 130 PRO HD+ 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 1959, 1960,
igr2= 1976, 1977,
&end
#
# 129 PHE HB+ 130 PRO HD- 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 1959, 1960,
igr2= 1976, 1977,
&end
#
# 129 PHE HB- 130 PRO HD- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 1959, 1960,
igr2= 1976, 1977,
&end
#
# 129 PHE HB- 130 PRO HD+ 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 1959, 1960,
igr2= 1976, 1977,
&end
#
# 130 PRO QB 131 PRO QD 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 1982, 1983,
igr2= 1990, 1991,
&end
#
# 131 PRO QG 132 ALA QB 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 1993, 1994,
igr2= 2007, 2008, 2009,
&end
#
# 131 PRO QG 132 ALA H 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2003, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 1993, 1994,
&end
#
# 131 PRO HB- 132 ALA H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2003, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 1996, 1997,
&end
#
# 131 PRO HB+ 132 ALA H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2003, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 1996, 1997,
&end
#
# 131 PRO HD- 132 ALA H 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2003, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 1990, 1991,
&end
#
# 131 PRO HD+ 132 ALA H 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2003, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 1990, 1991,
&end
#
# 131 PRO HA 132 ALA H 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1999, 2003, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 132 ALA H 132 ALA QB 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2003, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 2007, 2008, 2009,
&end
#
# 132 ALA QB 133 PRO QD 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 2007, 2008, 2009,
igr2= 2014, 2015,
&end
#
# 132 ALA H 133 PRO QD 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2003, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 2014, 2015,
&end
#
# 132 ALA QB 133 PRO HA 5.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2023, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 2007, 2008, 2009,
&end
#
# 132 ALA QB 134 GLY HA+ 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 2007, 2008, 2009,
igr2= 2029, 2030,
&end
#
# 132 ALA QB 134 GLY HA- 6.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 2007, 2008, 2009,
igr2= 2029, 2030,
&end
#
# 132 ALA HA 134 GLY H 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2005, 2027, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 133 PRO HA 134 GLY HA+ 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2023, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 2029, 2030,
&end
#
# 133 PRO HB- 134 GLY HA+ 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 2020, 2021,
igr2= 2029, 2030,
&end
#
# 133 PRO QG 134 GLY HA+ 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2017, 2018,
igr2= 2029, 2030,
&end
#
# 133 PRO QG 134 GLY HA- 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2017, 2018,
igr2= 2029, 2030,
&end
#
# 133 PRO HB- 134 GLY HA- 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 2020, 2021,
igr2= 2029, 2030,
&end
#
# 133 PRO HA 134 GLY HA- 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2023, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 2029, 2030,
&end
#
# 134 GLY QA 135 SER HA 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2036, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 2029, 2030,
&end
#
# 134 GLY QA 135 SER H 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2034, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 2029, 2030,
&end
#
# 135 SER HA 136 PRO QG 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2036, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 2049, 2050,
&end
#
# 135 SER HA 136 PRO QB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2036, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 2052, 2053,
&end
#
# 135 SER HA 136 PRO HD- 3.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2036, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr2= 2046, 2047,
&end
#
# 135 SER QB 136 PRO QG 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 2038, 2039,
igr2= 2049, 2050,
&end
#
# 135 SER HA 136 PRO HD+ 3.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2036, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr2= 2046, 2047,
&end
#
# 135 SER H 136 PRO HA 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2034, 2055, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 135 SER HA 137 GLU- QG 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2036, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 2066, 2067,
&end
#
# 135 SER QB 137 GLU- QB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2038, 2039,
igr2= 2063, 2064,
&end
#
# 135 SER QB 137 GLU- QG 6.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 2038, 2039,
igr2= 2066, 2067,
&end
#
# 135 SER HB- 137 GLU- H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2059, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 2038, 2039,
&end
#
# 135 SER HB+ 137 GLU- H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2059, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 2038, 2039,
&end
#
# 135 SER HA 137 GLU- H 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2036, 2059, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 136 PRO QD 137 GLU- QG 6.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 2046, 2047,
igr2= 2066, 2067,
&end
#
# 136 PRO QD 137 GLU- H 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2059, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 2046, 2047,
&end
#
# 137 GLU- HA 137 GLU- QG 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2061, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 2066, 2067,
&end
#
# 137 GLU- HB+ 137 GLU- QG 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 2063, 2064,
igr2= 2066, 2067,
&end
#
# 137 GLU- HB- 137 GLU- QG 3.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 2063, 2064,
igr2= 2066, 2067,
&end
#
# 137 GLU- H 137 GLU- QB 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2059, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 2063, 2064,
&end
#
# 137 GLU- H 137 GLU- QG 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2059, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 2066, 2067,
&end
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