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 |
|
|
565996 |
2lww   |
18650 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 108 LYS+ HA 108 LYS+ HD- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1627, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0,
igr2= 1635, 1636,
&end
#
# 108 LYS+ HA 108 LYS+ HD+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1627, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1635, 1636,
&end
#
# 108 LYS+ H 109 SER H 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1625, 1647, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 109 SER QB 110 THR H 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1658, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 1651, 1652,
&end
#
# 111 GLN H 111 GLN HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1672, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1679, 1680,
&end
#
# 111 GLN H 111 GLN HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1672, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1679, 1680,
&end
#
# 112 ALA H 112 ALA QB 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1689, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 1693, 1694, 1695,
&end
#
# 112 ALA HA 113 GLY H 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1691, 1699, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 113 GLY QA 114 GLU- H 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1701, 1702,
&end
#
# 114 GLU- H 114 GLU- HG- 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1706, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 1713, 1714,
&end
#
# 114 GLU- H 114 GLU- HG+ 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1706, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 1713, 1714,
&end
#
# 114 GLU- H 114 GLU- HB+ 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1706, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 1710, 1711,
&end
#
# 114 GLU- H 114 GLU- HB- 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1706, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 1710, 1711,
&end
#
# 114 GLU- HG- 115 GLY H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1713, 1714,
&end
#
# 114 GLU- HG+ 115 GLY H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1713, 1714,
&end
#
# 114 GLU- HA 115 GLY H 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1708, 1721, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 114 GLU- HB+ 115 GLY H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1721, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 1710, 1711,
&end
#
# 114 GLU- HB- 115 GLY H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1721, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 1710, 1711,
&end
#
# 114 GLU- H 115 GLY H 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1706, 1721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 115 GLY HA+ 166 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1723, 1724,
igr2= 2460, 2461, 2462,
&end
#
# 115 GLY HA- 166 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1723, 1724,
igr2= 2460, 2461, 2462,
&end
#
# 115 GLY H 166 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1721, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 2460, 2461, 2462,
&end
#
# 115 GLY H 116 THR H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1721, 1728, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 115 GLY HA- 116 THR H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1728, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 1723, 1724,
&end
#
# 115 GLY HA+ 116 THR H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1728, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 1723, 1724,
&end
#
# 116 THR QG2 117 LEU H 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1742, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 1734, 1735, 1736,
&end
#
# 116 THR HA 117 LEU H 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1730, 1742, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 116 THR H 117 LEU H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, 1742, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 116 THR QG2 166 MET QE 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 1734, 1735, 1736,
igr2= 2460, 2461, 2462,
&end
#
# 116 THR HB 166 MET QE 6.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1732, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 2460, 2461, 2462,
&end
#
# 116 THR H 166 MET QE 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 2460, 2461, 2462,
&end
#
# 116 THR HA 118 SER H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1730, 1761, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 116 THR H 118 SER H 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, 1761, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 116 THR HA 116 THR QG2 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1730, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 1734, 1735, 1736,
&end
#
# 116 THR HA 116 THR HB 2.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1730, 1732, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 116 THR H 116 THR QG2 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 1734, 1735, 1736,
&end
#
# 116 THR H 116 THR HB 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1728, 1732, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 117 LEU QQD 120 ALA HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1789, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU QQD 120 ALA HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1789, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU QQD 120 ALA H 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1787, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU QQD 120 ALA H 5.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1787, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU QB 120 ALA H 6.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1787, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 1746, 1747,
&end
#
# 117 LEU HA 120 ALA H 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1744, 1787, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 117 LEU HA 119 GLU- H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1744, 1772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 LEU QQD 42 LEU QQD 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1751, 1752, 1753, 1755, 1756, 1757,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 117 LEU HA 117 LEU HG 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1744, 1749, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 117 LEU HA 117 LEU QQD 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1744, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU QB 117 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= 1746, 1747,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU HA 117 LEU QQD 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1744, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU QB 117 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= 1746, 1747,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU H 117 LEU QQD 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU H 117 LEU QQD 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 117 LEU H 117 LEU QB 3.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 1746, 1747,
&end
#
# 117 LEU QQD 12 LYS+ HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1751, 1752, 1753, 1755, 1756, 1757,
igr2= 165, 166,
&end
#
# 117 LEU QQD 12 LYS+ QD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1751, 1752, 1753, 1755, 1756, 1757,
igr2= 168, 169,
&end
#
# 117 LEU QB 118 SER H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1761, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1746, 1747,
&end
#
# 117 LEU H 118 SER H 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1742, 1761, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 117 LEU HA 118 SER H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1744, 1761, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 SER H 120 ALA H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1761, 1787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 SER H 119 GLU- H 2.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1761, 1772, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 118 SER HB- 121 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1765, 1766,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 118 SER HB+ 121 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1765, 1766,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 118 SER HB- 117 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1765, 1766,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 118 SER HB+ 117 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1765, 1766,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 118 SER H 117 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1761, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 118 SER H 117 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1761, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1751, 1752, 1753, 1755, 1756, 1757,
&end
#
# 118 SER HA 121 LEU QB 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1763, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 1801, 1802,
&end
#
# 118 SER H 118 SER HB- 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1761, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 1765, 1766,
&end
#
# 118 SER H 118 SER HB+ 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1761, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 1765, 1766,
&end
#
# 119 GLU- H 120 ALA H 3.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1772, 1787, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 119 GLU- HA 120 ALA H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1774, 1787, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 119 GLU- HG- 120 ALA H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1779, 1780,
&end
#
# 119 GLU- HG+ 120 ALA H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1779, 1780,
&end
#
# 119 GLU- HA 119 GLU- HG+ 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1774, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 1779, 1780,
&end
#
# 119 GLU- HA 119 GLU- HG- 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1774, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 1779, 1780,
&end
#
# 119 GLU- H 119 GLU- HG- 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1772, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 1779, 1780,
&end
#
# 119 GLU- H 119 GLU- HG+ 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1772, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 1779, 1780,
&end
#
# 119 GLU- H 119 GLU- HB- 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1772, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 1776, 1777,
&end
#
# 119 GLU- H 119 GLU- HB+ 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1772, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 1776, 1777,
&end
#
# 119 GLU- H 121 LEU H 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1772, 1797, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 119 GLU- HG+ 122 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1779, 1780,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 119 GLU- HA 122 LEU QQD 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1774, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 119 GLU- HA 122 LEU QQD 5.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1774, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 119 GLU- HG- 122 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1779, 1780,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 119 GLU- HG+ 122 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1779, 1780,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 119 GLU- HG- 122 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1779, 1780,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 119 GLU- HA 122 LEU QB 4.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1774, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 1820, 1821,
&end
#
# 119 GLU- HA 122 LEU H 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1774, 1816, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 120 ALA H 120 ALA QB 3.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1787, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 1791, 1792, 1793,
&end
#
# 120 ALA QB 42 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1791, 1792, 1793,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 120 ALA HA 42 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1789, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 120 ALA H 122 LEU H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1787, 1816, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 ALA QB 121 LEU H 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1797, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 1791, 1792, 1793,
&end
#
# 120 ALA H 121 LEU H 2.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1787, 1797, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 120 ALA QB 164 VAL QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
igr1= 1791, 1792, 1793,
igr2= 2432, 2433, 2434,
&end
#
# 120 ALA QB 19 VAL QG1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1791, 1792, 1793,
igr2= 294, 295, 296,
&end
#
# 120 ALA QB 19 VAL QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1791, 1792, 1793,
igr2= 298, 299, 300,
&end
#
# 121 LEU QQD 96 ALA QB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
igr2= 1495, 1496, 1497,
&end
#
# 121 LEU QQD 96 ALA QB 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
igr2= 1495, 1496, 1497,
&end
#
# 121 LEU HA 123 HIS H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1799, 1835, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 121 LEU QQD 123 HIS H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1835, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QQD 93 LEU HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QQD 93 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 121 LEU QQD 93 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 121 LEU QQD 93 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 121 LEU HG 93 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1804, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 121 LEU HA 121 LEU QQD 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1799, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU HA 121 LEU QQD 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1799, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU HA 121 LEU HG 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1799, 1804, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 121 LEU QB 121 LEU QQD 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 1801, 1802,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QB 121 LEU QQD 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 1801, 1802,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU H 121 LEU QB 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1797, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 1801, 1802,
&end
#
# 121 LEU H 121 LEU QQD 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1797, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU H 121 LEU QQD 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1797, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU H 121 LEU HG 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1797, 1804, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 121 LEU HA 121 LEU QQD 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1799, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QB 121 LEU QQD 4.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 1801, 1802,
igr2= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QB 122 LEU H 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1816, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 1801, 1802,
&end
#
# 121 LEU H 122 LEU H 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1797, 1816, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 121 LEU QQD 122 LEU H 6.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1816, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QQD 122 LEU HA 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1818, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QQD 126 PHE HD1 6.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1896, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QQD 126 PHE HZ 6.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1900, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QQD 126 PHE HD2 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1904, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
&end
#
# 121 LEU QQD 92 PRO HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1806, 1807, 1808, 1810, 1811, 1812,
igr2= 1429, 1430,
&end
#
# 122 LEU HG 96 ALA QB 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1823, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1495, 1496, 1497,
&end
#
# 122 LEU HA 123 HIS HA 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1818, 1837, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 122 LEU QB 123 HIS H 4.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1835, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 1820, 1821,
&end
#
# 122 LEU H 123 HIS H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1816, 1835, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 LEU HA 122 LEU QQD 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1818, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 122 LEU QB 122 LEU QQD 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 1820, 1821,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 122 LEU QB 122 LEU QQD 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 1820, 1821,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 122 LEU HA 122 LEU HG 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1818, 1823, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 122 LEU HA 122 LEU QQD 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1818, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 122 LEU H 122 LEU HG 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1816, 1823, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 122 LEU H 122 LEU QQD 6.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1816, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 122 LEU H 122 LEU QQD 6.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1816, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 122 LEU H 122 LEU QB 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1816, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 1820, 1821,
&end
#
# 122 LEU HA 122 LEU QQD 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1818, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 123 HIS HD2 120 ALA HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1848, 1789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 HIS HD2 119 GLU- HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1848, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1779, 1780,
&end
#
# 123 HIS H 123 HIS QB 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1835, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1839, 1840,
&end
#
# 123 HIS HD2 124 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1848, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1861, 1862, 1863, 1865, 1866, 1867,
&end
#
# 123 HIS HD2 42 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 123 HIS H 124 LEU H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1835, 1852, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 123 HIS HD2 19 VAL QQG 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1848, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 124 LEU H 125 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1852, 1871, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HB+ 125 GLN H 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1871, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 1856, 1857,
&end
#
# 124 LEU HG 125 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1859, 1871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HB- 125 GLN H 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1871, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 1856, 1857,
&end
#
# 124 LEU QB 125 GLN H 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1871, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 1856, 1857,
&end
#
# 124 LEU QQD 42 LEU QQD 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1861, 1862, 1863, 1865, 1866, 1867,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 124 LEU HA 124 LEU QQD 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1854, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 1861, 1862, 1863, 1865, 1866, 1867,
&end
#
# 124 LEU HA 124 LEU QQD 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1854, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 1861, 1862, 1863, 1865, 1866, 1867,
&end
#
# 124 LEU H 124 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1852, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1861, 1862, 1863, 1865, 1866, 1867,
&end
#
# 124 LEU H 124 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1852, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1861, 1862, 1863, 1865, 1866, 1867,
&end
#
# 124 LEU H 124 LEU HG 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1852, 1859, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 124 LEU H 124 LEU QQD 6.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1852, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 1861, 1862, 1863, 1865, 1866, 1867,
&end
#
# 125 GLN HA 125 GLN QG 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1873, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1878, 1879,
&end
#
# 125 GLN H 125 GLN QG 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1871, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 1878, 1879,
&end
#
# 125 GLN H 125 GLN QB 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1871, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1875, 1876,
&end
#
# 125 GLN H 126 PHE H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1871, 1888, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 125 GLN HA 126 PHE H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1873, 1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 PHE HD2 96 ALA QB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1904, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1495, 1496, 1497,
&end
#
# 126 PHE HE 96 ALA QB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,
igr1= 1898, 1902,
igr2= 1495, 1496, 1497,
&end
#
# 126 PHE H 127 ASP- H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1888, 1908, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 126 PHE HD2 93 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1904, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 126 PHE HD2 93 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1904, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 126 PHE HD2 93 LEU HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1904, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1440, 1441,
&end
#
# 126 PHE HD2 93 LEU HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1904, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1440, 1441,
&end
#
# 126 PHE HZ 93 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1900, -1, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 126 PHE HZ 93 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1900, 1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 PHE HD1 126 PHE HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, 1890, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 PHE HD1 126 PHE HB- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1892, 1893,
&end
#
# 126 PHE HD1 126 PHE HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1892, 1893,
&end
#
# 126 PHE H 126 PHE HD1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1888, 1896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 PHE H 126 PHE HB+ 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1888, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 1892, 1893,
&end
#
# 126 PHE H 126 PHE HB- 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1888, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 1892, 1893,
&end
#
# 126 PHE HD1 19 VAL QG2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1896, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 298, 299, 300,
&end
#
# 127 ASP- H 127 ASP- QB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1908, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1912, 1913,
&end
#
# 127 ASP- H 126 PHE HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1908, 1890, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 ASP- HA 26 LYS+ QD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1910, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 416, 417,
&end
#
# 127 ASP- HA 26 LYS+ QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1910, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 419, 420,
&end
#
# 127 ASP- HA 26 LYS+ HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1910, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 413, 414,
&end
#
# 128 ALA H 128 ALA QB 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1920, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 1924, 1925, 1926,
&end
#
# 128 ALA H 129 ASP- H 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1920, 1930, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 128 ALA QB 129 ASP- H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1924, 1925, 1926,
&end
#
# 129 ASP- H 129 ASP- QB 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1930, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 1934, 1935,
&end
#
# 129 ASP- H 130 GLU- H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1930, 1942, r1= 2.00, r2= 2.50, r3= 3.50, r4= 4.00, &end
#
# 129 ASP- QB 130 GLU- H 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1942, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1934, 1935,
&end
#
# 129 ASP- HA 26 LYS+ QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1932, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 419, 420,
&end
#
# 129 ASP- HB- 26 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= 1934, 1935,
igr2= 419, 420,
&end
#
# 130 GLU- H 131 ASP- H 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1942, 1957, r1= 3.00, r2= 3.50, r3= 5.44, r4= 5.94, &end
#
# 130 GLU- H 130 GLU- HG- 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1942, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 1949, 1950,
&end
#
# 130 GLU- H 130 GLU- HG+ 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1942, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 1949, 1950,
&end
#
# 130 GLU- H 130 GLU- QB 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1942, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 1946, 1947,
&end
#
# 130 GLU- H 130 GLU- QG 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1942, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1949, 1950,
&end
#
# 130 GLU- HA 130 GLU- QG 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1944, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 1949, 1950,
&end
#
# 130 GLU- QB 130 GLU- QG 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 1946, 1947,
igr2= 1949, 1950,
&end
#
# 130 GLU- HA 26 LYS+ QD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1944, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 416, 417,
&end
#
# 130 GLU- HB+ 26 LYS+ QD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1946, 1947,
igr2= 416, 417,
&end
#
# 130 GLU- HB+ 26 LYS+ QE 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 1946, 1947,
igr2= 419, 420,
&end
#
# 130 GLU- HG- 26 LYS+ QE 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 1949, 1950,
igr2= 419, 420,
&end
#
# 130 GLU- HA 26 LYS+ QE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1944, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 419, 420,
&end
#
# 131 ASP- HA 133 GLY H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1959, 1988, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 131 ASP- HA 26 LYS+ QD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1959, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 416, 417,
&end
#
# 131 ASP- HB- 26 LYS+ QD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1961, 1962,
igr2= 416, 417,
&end
#
# 131 ASP- HB+ 26 LYS+ QD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1961, 1962,
igr2= 416, 417,
&end
#
# 132 LEU H 134 ALA H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1969, 1995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LEU HB+ 133 GLY H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1988, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1973, 1974,
&end
#
# 132 LEU HG 133 GLY H 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1976, 1988, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 132 LEU QQD 133 GLY H 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1988, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU H 133 GLY H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1969, 1988, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 132 LEU HB- 133 GLY H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1988, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1973, 1974,
&end
#
# 132 LEU QQD 133 GLY H 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1988, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU QQD 133 GLY H 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1988, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU QQD 25 HIS HD2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU QQD 25 HIS HD2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU QQD 76 ILE QG2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 1174, 1175, 1176,
&end
#
# 132 LEU HG 76 ILE QG2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1976, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1174, 1175, 1176,
&end
#
# 132 LEU QQD 76 ILE QG2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 1174, 1175, 1176,
&end
#
# 132 LEU QQD 22 LEU HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU QQD 22 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 132 LEU QQD 21 LEU HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 327, 328,
&end
#
# 132 LEU HA 132 LEU QQD 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1971, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU HA 132 LEU QQD 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1971, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU H 132 LEU QQD 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1969, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU H 132 LEU QQD 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1969, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU H 132 LEU QQD 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1969, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU HA 132 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1971, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU H 135 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1969, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 132 LEU HA 135 LEU QB 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1971, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 2009, 2010,
&end
#
# 132 LEU QQD 135 LEU H 6.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2005, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
&end
#
# 132 LEU QQD 135 LEU QQD 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 132 LEU QQD 80 LYS+ HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 1246, 1247,
&end
#
# 132 LEU QQD 55 MET HE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 881, 882, 883,
&end
#
# 132 LEU QQD 55 MET HE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1978, 1979, 1980, 1982, 1983, 1984,
igr2= 881, 882, 883,
&end
#
# 133 GLY H 134 ALA H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1988, 1995, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 133 GLY H 135 LEU H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1988, 2005, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 133 GLY HA+ 135 LEU H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2005, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 1990, 1991,
&end
#
# 133 GLY HA- 135 LEU H 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2005, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 1990, 1991,
&end
#
# 133 GLY H 135 LEU QQD 6.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1988, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 133 GLY QA 135 LEU QQD 7.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 1990, 1991,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 133 GLY HA+ 136 LEU H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2024, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 1990, 1991,
&end
#
# 133 GLY HA- 136 LEU H 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2024, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 1990, 1991,
&end
#
# 133 GLY QA 136 LEU QB 6.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 1990, 1991,
igr2= 2028, 2029,
&end
#
# 133 GLY QA 136 LEU QQD 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 1990, 1991,
igr2= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 133 GLY HA+ 80 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= 1990, 1991,
igr2= 1252, 1253,
&end
#
# 133 GLY HA+ 80 LYS+ QD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1990, 1991,
igr2= 1249, 1250,
&end
#
# 133 GLY HA+ 80 LYS+ HG+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1990, 1991,
igr2= 1246, 1247,
&end
#
# 133 GLY HA+ 80 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= 1990, 1991,
igr2= 1252, 1253,
&end
#
# 133 GLY HA- 80 LYS+ QD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1990, 1991,
igr2= 1249, 1250,
&end
#
# 133 GLY HA- 80 LYS+ QD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1990, 1991,
igr2= 1249, 1250,
&end
#
# 133 GLY HA- 80 LYS+ HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1990, 1991,
igr2= 1246, 1247,
&end
#
# 133 GLY HA- 80 LYS+ HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1990, 1991,
igr2= 1246, 1247,
&end
#
# 134 ALA H 134 ALA QB 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1995, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 1999, 2000, 2001,
&end
#
# 134 ALA HA 137 GLY H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1997, 2043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 134 ALA QB 137 GLY H 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2043, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 1999, 2000, 2001,
&end
#
# 134 ALA QB 135 LEU H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2005, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 1999, 2000, 2001,
&end
#
# 134 ALA H 135 LEU H 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1995, 2005, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 135 LEU H 137 GLY H 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2005, 2043, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 135 LEU QQD 137 GLY H 7.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2043, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU QQD 25 HIS HD2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU QQD 25 HIS HD2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU HG 76 ILE QD1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1181, 1182, 1183,
&end
#
# 135 LEU QQD 52 LEU HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU QQD 52 LEU HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU HA 135 LEU QQD 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2007, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU HA 135 LEU QQD 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2007, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU H 135 LEU QB 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2005, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 2009, 2010,
&end
#
# 135 LEU H 135 LEU QQD 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2005, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU HA 135 LEU QQD 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2007, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU H 136 LEU H 3.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2005, 2024, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 135 LEU QQD 136 LEU H 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2024, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU QQD 55 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
igr2= 881, 882, 883,
&end
#
# 135 LEU HG 55 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 881, 882, 883,
&end
#
# 135 LEU HB- 55 MET HE 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2009, 2010,
igr2= 881, 882, 883,
&end
#
# 135 LEU QQD 55 MET HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
igr2= 874, 875,
&end
#
# 135 LEU QQD 55 MET HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
igr2= 877, 878,
&end
#
# 135 LEU QQD 55 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
igr2= 881, 882, 883,
&end
#
# 135 LEU QQD 55 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
igr2= 881, 882, 883,
&end
#
# 135 LEU HA 56 THR HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2007, 889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 LEU QB 56 THR HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2009, 2010,
&end
#
# 135 LEU QQD 56 THR HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU HA 56 THR HB 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2007, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 LEU QQD 56 THR HB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU HG 56 THR HB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 LEU HG 56 THR QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2012, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 893, 894, 895,
&end
#
# 135 LEU QQD 56 THR QG2 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
igr2= 893, 894, 895,
&end
#
# 135 LEU HB- 56 THR QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2009, 2010,
igr2= 893, 894, 895,
&end
#
# 135 LEU HA 56 THR QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2007, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 893, 894, 895,
&end
#
# 135 LEU QQD 56 THR HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU QQD 56 THR HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 135 LEU QQD 56 THR HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2014, 2015, 2016, 2018, 2019, 2020,
&end
#
# 136 LEU QQD 73 ARG+ HD- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1118, 1119,
&end
#
# 136 LEU QQD 73 ARG HD+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1118, 1119,
&end
#
# 136 LEU HG 73 ARG+ HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2031, 1110, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 LEU QQD 73 ARG+ HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1110, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 136 LEU QQD 73 ARG+ HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1110, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 136 LEU HG 73 ARG+ QG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2031, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1115, 1116,
&end
#
# 136 LEU QQD 73 ARG+ QG 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1115, 1116,
&end
#
# 136 LEU QQD 73 ARG+ QG 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1115, 1116,
&end
#
# 136 LEU H 137 GLY H 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2024, 2043, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 136 LEU QB 137 GLY H 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2043, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 2028, 2029,
&end
#
# 136 LEU HG 76 ILE QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2031, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1174, 1175, 1176,
&end
#
# 136 LEU HA 76 ILE QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2026, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1174, 1175, 1176,
&end
#
# 136 LEU HB- 76 ILE QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2028, 2029,
igr2= 1174, 1175, 1176,
&end
#
# 136 LEU QQD 76 ILE QG2 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1174, 1175, 1176,
&end
#
# 136 LEU QQD 76 ILE QG2 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1174, 1175, 1176,
&end
#
# 136 LEU HA 76 ILE QD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2026, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1181, 1182, 1183,
&end
#
# 136 LEU QQD 76 ILE HA 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 136 LEU HA 136 LEU QQD 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2026, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 136 LEU HA 136 LEU QQD 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2026, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 136 LEU H 136 LEU HB+ 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2024, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 2028, 2029,
&end
#
# 136 LEU H 136 LEU HB- 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2024, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 2028, 2029,
&end
#
# 136 LEU H 136 LEU HG 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2024, 2031, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 136 LEU H 136 LEU QB 3.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2024, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 2028, 2029,
&end
#
# 136 LEU HA 136 LEU QQD 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2026, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 136 LEU QQD 80 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= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1252, 1253,
&end
#
# 136 LEU QQD 80 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= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1252, 1253,
&end
#
# 136 LEU QQD 80 LYS+ HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1246, 1247,
&end
#
# 136 LEU QQD 80 LYS+ HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1246, 1247,
&end
#
# 136 LEU QQD 80 LYS+ HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1246, 1247,
&end
#
# 136 LEU QQD 80 LYS+ HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 1246, 1247,
&end
#
# 136 LEU HA 55 MET HE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2026, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 881, 882, 883,
&end
#
# 136 LEU QQD 55 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 881, 882, 883,
&end
#
# 136 LEU QQD 55 MET HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 877, 878,
&end
#
# 136 LEU QQD 55 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 881, 882, 883,
&end
#
# 136 LEU QQD 55 MET HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
igr2= 877, 878,
&end
#
# 136 LEU QQD 77 SER HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 136 LEU QQD 77 SER HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2033, 2034, 2035, 2037, 2038, 2039,
&end
#
# 137 GLY H 138 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2043, 2050, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00, &end
#
# 138 ASN HA 138 ASN HD2- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2052, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 2059, 2060,
&end
#
# 139 SER QB 140 THR H 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2075, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 2068, 2069,
&end
#
# 139 SER HA 140 THR H 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2066, 2075, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 139 SER H 140 THR H 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2064, 2075, r1= 3.00, r2= 3.50, r3= 4.89, r4= 5.39, &end
#
# 140 THR HB 141 ASP- H 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2079, 2089, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 140 THR HA 141 ASP- H 3.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2077, 2089, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 140 THR QG2 141 ASP- H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2089, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 2081, 2082, 2083,
&end
#
# 140 THR H 141 ASP- H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2075, 2089, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 140 THR QG2 59 GLN HB- 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 2081, 2082, 2083,
igr2= 933, 934,
&end
#
# 140 THR QG2 77 SER HA 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1189, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 2081, 2082, 2083,
&end
#
# 140 THR HA 140 THR HB 3.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2077, 2079, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 140 THR HA 140 THR QG2 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2077, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 2081, 2082, 2083,
&end
#
# 140 THR H 140 THR HB 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2075, 2079, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 140 THR H 140 THR QG2 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2075, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 2081, 2082, 2083,
&end
#
# 140 THR QG2 144 VAL QQG 8.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 2081, 2082, 2083,
igr2= 2128, 2129, 2130, 2132, 2133, 2134,
&end
#
# 141 ASP- H 141 ASP- HB- 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 2093, 2094,
&end
#
# 141 ASP- H 141 ASP- HB+ 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 2093, 2094,
&end
#
# 141 ASP- H 141 ASP- QB 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 2093, 2094,
&end
#
# 141 ASP- HA 143 GLY H 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2091, 2115, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 141 ASP- HB- 142 PRO HD+ 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 2093, 2094,
igr2= 2102, 2103,
&end
#
# 141 ASP- HB+ 142 PRO HD+ 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 2093, 2094,
igr2= 2102, 2103,
&end
#
# 141 ASP- HA 142 PRO HD+ 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2091, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 2102, 2103,
&end
#
# 141 ASP- HB- 142 PRO HD- 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 2093, 2094,
igr2= 2102, 2103,
&end
#
# 141 ASP- HB+ 142 PRO HD- 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 2093, 2094,
igr2= 2102, 2103,
&end
#
# 141 ASP- HA 142 PRO HD- 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2091, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 2102, 2103,
&end
#
# 141 ASP- H 142 PRO HD+ 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 2102, 2103,
&end
#
# 141 ASP- H 142 PRO HD- 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 2102, 2103,
&end
#
# 141 ASP- HB+ 144 VAL QG2 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 2093, 2094,
igr2= 2132, 2133, 2134,
&end
#
# 141 ASP- HB- 144 VAL QG2 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 2093, 2094,
igr2= 2132, 2133, 2134,
&end
#
# 141 ASP- HB+ 144 VAL QG1 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 2093, 2094,
igr2= 2128, 2129, 2130,
&end
#
# 141 ASP- HB- 144 VAL QG1 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 2093, 2094,
igr2= 2128, 2129, 2130,
&end
#
# 141 ASP- H 144 VAL QQG 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2089, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 2128, 2129, 2130, 2132, 2133, 2134,
&end
#
# 141 ASP- QB 144 VAL HB 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2126, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 2093, 2094,
&end
#
# 141 ASP- QB 144 VAL QQG 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 2093, 2094,
igr2= 2128, 2129, 2130, 2132, 2133, 2134,
&end
#
# 142 PRO HA 143 GLY H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2111, 2115, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 PRO QG 143 GLY H 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2115, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 2105, 2106,
&end
#
# 142 PRO QD 143 GLY H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2115, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 2102, 2103,
&end
#
# 142 PRO HA 144 VAL H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2111, 2122, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 143 GLY H 145 PHE H 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2115, 2138, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 143 GLY H 144 VAL H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2115, 2122, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 143 GLY QA 144 VAL H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2122, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 2117, 2118,
&end
#
# 144 VAL QG1 73 ARG+ QG 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2128, 2129, 2130,
igr2= 1115, 1116,
&end
#
# 144 VAL QG2 74 GLN HG+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2132, 2133, 2134,
igr2= 1139, 1140,
&end
#
# 144 VAL QG1 74 GLN HG+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2128, 2129, 2130,
igr2= 1139, 1140,
&end
#
# 144 VAL QG1 61 GLY HA+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2128, 2129, 2130,
igr2= 958, 959,
&end
#
# 144 VAL QG2 61 GLY HA+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2132, 2133, 2134,
igr2= 958, 959,
&end
#
# 144 VAL QG1 62 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= 2128, 2129, 2130,
igr2= 976, 977,
&end
#
# 144 VAL HA 145 PHE H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2124, 2138, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 144 VAL HB 145 PHE H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2126, 2138, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 144 VAL H 145 PHE H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2122, 2138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 144 VAL QQG 145 PHE H 5.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2138, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 2128, 2129, 2130, 2132, 2133, 2134,
&end
#
# 144 VAL QG1 146 THR QG2 7.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 2128, 2129, 2130,
igr2= 2164, 2165, 2166,
&end
#
# 144 VAL QQG 146 THR HB 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2162, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 2128, 2129, 2130, 2132, 2133, 2134,
&end
#
# 144 VAL QQG 146 THR QG2 7.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 2128, 2129, 2130, 2132, 2133, 2134,
igr2= 2164, 2165, 2166,
&end
#
# 144 VAL HA 144 VAL QG2 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2124, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 2132, 2133, 2134,
&end
#
# 144 VAL HA 144 VAL QG1 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2124, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 2128, 2129, 2130,
&end
#
# 144 VAL H 144 VAL HB 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2122, 2126, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 144 VAL H 144 VAL QQG 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2122, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 2128, 2129, 2130, 2132, 2133, 2134,
&end
#
# 144 VAL HA 144 VAL QQG 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2124, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 2128, 2129, 2130, 2132, 2133, 2134,
&end
#
# 145 PHE HD1 81 ASN HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2146, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1265, 1266,
&end
#
# 145 PHE HZ 82 CYS HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2150, 1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 PHE HA 78 HIS HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2140, 1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 PHE HZ 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2150, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 PHE HA 145 PHE HD1 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2140, 2146, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 PHE HA 145 PHE HD1 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2140, 2146, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 PHE H 145 PHE HD1 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2138, 2146, r1= 3.00, r2= 3.50, r3= 4.70, r4= 5.20, &end
#
# 145 PHE H 145 PHE HB- 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2138, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 2142, 2143,
&end
#
# 145 PHE H 145 PHE HB+ 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2138, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 2142, 2143,
&end
#
# 145 PHE H 145 PHE QB 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2138, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 2142, 2143,
&end
#
# 145 PHE HD1 142 PRO HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2146, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 2105, 2106,
&end
#
# 145 PHE HD1 77 SER HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2146, 1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 145 PHE HD1 78 SER HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2146, 1200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 PHE H 146 THR H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2138, 2158, r1= 3.00, r2= 3.50, r3= 4.83, r4= 5.33, &end
#
# 146 THR HB 147 ASP- H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2162, 2172, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 146 THR HA 147 ASP- H 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2160, 2172, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 146 THR QG2 147 ASP- H 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2172, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 2164, 2165, 2166,
&end
#
# 146 THR H 147 ASP- H 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2158, 2172, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 146 THR QG2 74 GLN HG+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2164, 2165, 2166,
igr2= 1139, 1140,
&end
#
# 146 THR QG2 74 GLN HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2164, 2165, 2166,
igr2= 1136, 1137,
&end
#
# 146 THR QG2 148 LEU HA 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2186, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 2164, 2165, 2166,
&end
#
# 146 THR HA 146 THR QG2 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2160, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 2164, 2165, 2166,
&end
#
# 146 THR H 146 THR QG2 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2158, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 2164, 2165, 2166,
&end
#
# 146 THR H 146 THR HB 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2158, 2162, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 146 THR QG2 151 VAL QG2 6.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 2164, 2165, 2166,
igr2= 2234, 2235, 2236,
&end
#
# 146 THR QG2 151 VAL QG1 6.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 2164, 2165, 2166,
igr2= 2230, 2231, 2232,
&end
#
# 147 ASP- HA 149 ALA H 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2174, 2203, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 147 ASP- HA 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2174, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 ASP- H 148 LEU H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2172, 2184, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 147 ASP- HA 148 LEU H 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2174, 2184, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 147 ASP- HA 150 SER H 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2174, 2213, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 148 LEU QQD 149 ALA H 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2203, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 149 ALA H 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2203, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU H 149 ALA H 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2184, 2203, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 148 LEU QQD 74 GLN HG- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
igr2= 1139, 1140,
&end
#
# 148 LEU HG 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2191, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 LEU HG 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2191, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 LEU QQD 78 HIS HE1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 78 HIS HB- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
igr2= 1202, 1203,
&end
#
# 148 LEU HG 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2191, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 LEU QQD 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 78 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 75 ILE HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 75 ILE HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 14 ILE QD1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
igr2= 212, 213, 214,
&end
#
# 148 LEU QQD 14 ILE HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU HG 14 ILE QD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2191, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 212, 213, 214,
&end
#
# 148 LEU HB- 14 ILE QD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2188, 2189,
igr2= 212, 213, 214,
&end
#
# 148 LEU QQD 75 ILE QD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
igr2= 1162, 1163, 1164,
&end
#
# 148 LEU QQD 14 ILE QG2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
igr2= 205, 206, 207,
&end
#
# 148 LEU HB- 14 ILE QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2188, 2189,
igr2= 205, 206, 207,
&end
#
# 148 LEU QQD 14 ILE QG2 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
igr2= 205, 206, 207,
&end
#
# 148 LEU HB- 148 LEU QQD 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 2188, 2189,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU HB+ 148 LEU QQD 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 2188, 2189,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU HA 148 LEU QQD 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2186, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU HB- 148 LEU QQD 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 2188, 2189,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU HB+ 148 LEU QQD 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 2188, 2189,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU HA 148 LEU QQD 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2186, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU H 148 LEU HG 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2184, 2191, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 148 LEU H 148 LEU QQD 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2184, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU H 148 LEU QQD 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2184, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 79 TRP HZ3 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU QQD 89 VAL HB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1381, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2193, 2194, 2195, 2197, 2198, 2199,
&end
#
# 148 LEU HA 151 VAL QG2 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2186, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 2234, 2235, 2236,
&end
#
# 148 LEU HA 151 VAL QG1 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2186, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 2230, 2231, 2232,
&end
#
# 148 LEU HA 151 VAL H 3.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2186, 2224, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 149 ALA H 149 ALA QB 3.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2203, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 2207, 2208, 2209,
&end
#
# 149 ALA HA 14 ILE QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2205, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 205, 206, 207,
&end
#
# 149 ALA HA 10 LYS+ HE- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2205, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 125, 126,
&end
#
# 149 ALA HA 150 SER H 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2205, 2213, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 149 ALA QB 150 SER H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2213, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 2207, 2208, 2209,
&end
#
# 149 ALA H 150 SER H 3.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2203, 2213, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 149 ALA HA 151 VAL H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2205, 2224, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 149 ALA QB 151 VAL H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2207, 2208, 2209,
&end
#
# 150 SER H 150 SER QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2213, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 2217, 2218,
&end
#
# 150 SER H 151 VAL H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2213, 2224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 VAL QQG 153 ASN HA 6.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2254, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 2230, 2231, 2232, 2234, 2235, 2236,
&end
#
# 151 VAL QQG 153 ASN QB 6.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 2230, 2231, 2232, 2234, 2235, 2236,
igr2= 2256, 2257,
&end
#
# 151 VAL H 152 ASP- H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2224, 2240, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00, &end
#
# 151 VAL QG2 152 ASP- H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2240, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 2234, 2235, 2236,
&end
#
# 151 VAL HA 152 ASP- H 3.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2226, 2240, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 151 VAL QG1 152 ASP- H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2240, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 2230, 2231, 2232,
&end
#
# 151 VAL HB 152 ASP- H 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2228, 2240, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 151 VAL QQG 152 ASP- H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2240, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 2230, 2231, 2232, 2234, 2235, 2236,
&end
#
# 151 VAL QG1 74 GLN HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2230, 2231, 2232,
igr2= 1139, 1140,
&end
#
# 151 VAL QG1 74 GLN HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2230, 2231, 2232,
igr2= 1139, 1140,
&end
#
# 151 VAL QG2 75 ILE QG1 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2234, 2235, 2236,
igr2= 1159, 1160,
&end
#
# 151 VAL HB 14 ILE QD1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2228, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 212, 213, 214,
&end
#
# 151 VAL HB 14 ILE QD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2228, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 212, 213, 214,
&end
#
# 151 VAL QG1 75 ILE QD1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2230, 2231, 2232,
igr2= 1162, 1163, 1164,
&end
#
# 151 VAL QG2 75 ILE QD1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2234, 2235, 2236,
igr2= 1162, 1163, 1164,
&end
#
# 151 VAL QG2 14 ILE QG2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2234, 2235, 2236,
igr2= 205, 206, 207,
&end
#
# 151 VAL HB 14 ILE QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2228, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 205, 206, 207,
&end
#
# 151 VAL HA 14 ILE QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2226, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 205, 206, 207,
&end
#
# 151 VAL HB 10 LYS+ HE+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2228, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 125, 126,
&end
#
# 151 VAL QG2 10 LYS+ HE+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2234, 2235, 2236,
igr2= 125, 126,
&end
#
# 151 VAL QG2 10 LYS+ HE- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2234, 2235, 2236,
igr2= 125, 126,
&end
#
# 151 VAL QG1 10 LYS+ HE- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2230, 2231, 2232,
igr2= 125, 126,
&end
#
# 151 VAL HB 10 LYS+ HE- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2228, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 125, 126,
&end
#
# 151 VAL QG2 71 SER HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1088, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2234, 2235, 2236,
&end
#
# 151 VAL QG1 71 SER HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1088, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2230, 2231, 2232,
&end
#
# 151 VAL QG2 71 SER QB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2234, 2235, 2236,
igr2= 1090, 1091,
&end
#
# 151 VAL HA 151 VAL QG2 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2226, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 2234, 2235, 2236,
&end
#
# 151 VAL HA 151 VAL QG1 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2226, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 2230, 2231, 2232,
&end
#
# 151 VAL H 151 VAL QG2 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2224, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 2234, 2235, 2236,
&end
#
# 151 VAL H 151 VAL QG1 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2224, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 2230, 2231, 2232,
&end
#
# 151 VAL H 151 VAL HB 3.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2224, 2228, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 151 VAL H 151 VAL QQG 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2224, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 2230, 2231, 2232, 2234, 2235, 2236,
&end
#
# 152 ASP- H 153 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2240, 2252, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00, &end
#
# 152 ASP- HB+ 153 ASN H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2252, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 2244, 2245,
&end
#
# 152 ASP- HB- 153 ASN H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2252, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 2244, 2245,
&end
#
# 152 ASP- H 152 ASP- HB+ 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2240, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 2244, 2245,
&end
#
# 152 ASP- H 152 ASP- HB- 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2240, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 2244, 2245,
&end
#
# 152 ASP- HA 154 SER H 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2242, 2266, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 153 ASN HA 155 GLU- H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2254, 2277, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 153 ASN HA 156 PHE H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2254, 2292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 ASN QB 156 PHE H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2292, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 2256, 2257,
&end
#
# 153 ASN HA 71 SER HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2254, 1088, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 153 ASN HA 71 SER QB 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2254, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 1090, 1091,
&end
#
# 153 ASN HB- 71 SER HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2256, 2257,
&end
#
# 153 ASN HB+ 71 SER HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2256, 2257,
&end
#
# 153 ASN H 154 SER H 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2252, 2266, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 154 SER HA 157 GLN QG 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2268, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 2319, 2320,
&end
#
# 154 SER HA 157 GLN H 3.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2268, 2312, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 154 SER QB 157 GLN QG 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 2270, 2271,
igr2= 2319, 2320,
&end
#
# 154 SER H 155 GLU- H 3.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2266, 2277, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 154 SER QB 155 GLU- H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2277, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 2270, 2271,
&end
#
# 154 SER H 156 PHE H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2266, 2292, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 154 SER H 154 SER HB+ 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2266, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 2270, 2271,
&end
#
# 154 SER H 154 SER HB- 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2266, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 2270, 2271,
&end
#
# 155 GLU- HB+ 67 ALA HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2281, 2282,
&end
#
# 155 GLU- HG- 67 ALA HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2284, 2285,
&end
#
# 155 GLU- HG+ 67 ALA HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2284, 2285,
&end
#
# 155 GLU- HB+ 67 ALA QB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2281, 2282,
igr2= 1042, 1043, 1044,
&end
#
# 155 GLU- HG- 67 ALA QB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2284, 2285,
igr2= 1042, 1043, 1044,
&end
#
# 155 GLU- HG+ 67 ALA QB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2284, 2285,
igr2= 1042, 1043, 1044,
&end
#
# 155 GLU- HB- 67 ALA QB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2281, 2282,
igr2= 1042, 1043, 1044,
&end
#
# 155 GLU- HA 67 ALA QB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2279, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1042, 1043, 1044,
&end
#
# 155 GLU- HG- 67 ALA HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2284, 2285,
&end
#
# 155 GLU- HG- 67 ALA QB 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2284, 2285,
igr2= 1042, 1043, 1044,
&end
#
# 155 GLU- HG- 67 ALA HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2284, 2285,
&end
#
# 155 GLU- HG- 67 ALA QB 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2284, 2285,
igr2= 1042, 1043, 1044,
&end
#
# 155 GLU- H 157 GLN H 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2277, 2312, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 155 GLU- HA 158 GLN QB 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2279, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 2333, 2334,
&end
#
# 155 GLU- HA 158 GLN QG 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2279, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 2336, 2337,
&end
#
# 155 GLU- H 155 GLU- HB- 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2277, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 2281, 2282,
&end
#
# 155 GLU- H 155 GLU- HB+ 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2277, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 2281, 2282,
&end
#
# 155 GLU- H 155 GLU- HG- 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2277, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 2284, 2285,
&end
#
# 155 GLU- H 155 GLU- HG+ 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2277, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 2284, 2285,
&end
#
# 155 GLU- H 155 GLU- QB 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2277, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 2281, 2282,
&end
#
# 155 GLU- HA 155 GLU- QG 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2279, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 2284, 2285,
&end
#
# 155 GLU- HB- 68 HIS HE1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2281, 2282,
&end
#
# 155 GLU- HB+ 68 HIS HE1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2281, 2282,
&end
#
# 155 GLU- HG+ 68 HIS HE1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1058, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2284, 2285,
&end
#
# 155 GLU- HG- 68 HIS HE1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1058, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2284, 2285,
&end
#
# 155 GLU- HA 68 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2279, 1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 155 GLU- H 156 PHE H 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2277, 2292, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 155 GLU- QG 156 PHE H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2292, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 2284, 2285,
&end
#
# 156 PHE HD2 17 GLN HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2308, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 PHE HD2 17 GLN HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2308, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 256, 257,
&end
#
# 156 PHE HD1 157 GLN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2300, 2312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 PHE HB+ 157 GLN H 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2312, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 2296, 2297,
&end
#
# 156 PHE HB- 157 GLN H 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2312, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 2296, 2297,
&end
#
# 156 PHE H 157 GLN H 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2292, 2312, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 156 PHE H 158 GLN H 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2292, 2329, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 156 PHE HA 68 HIS HE1 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2294, 1058, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 156 PHE HD1 68 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2300, 1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 PHE HD1 13 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2300, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 156 PHE HD2 13 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2308, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 156 PHE HB- 13 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2296, 2297,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 156 PHE HB+ 13 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2296, 2297,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 156 PHE HB- 13 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2296, 2297,
&end
#
# 156 PHE HZ 20 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2304, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 156 PHE HZ 21 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2304, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 332, 333, 334, 336, 337, 338,
&end
#
# 156 PHE HZ 21 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2304, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 332, 333, 334, 336, 337, 338,
&end
#
# 156 PHE HD1 159 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 156 PHE HA 159 LEU QQD 6.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2294, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 156 PHE HA 159 LEU QB 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2294, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 2350, 2351,
&end
#
# 156 PHE HD1 159 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 156 PHE HA 159 LEU QQD 6.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2294, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 156 PHE HA 159 LEU H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2294, 2346, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 156 PHE HA 159 LEU QQD 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2294, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 156 PHE HD2 159 LEU QQD 7.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2308, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 156 PHE HZ 160 LEU QQD 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2304, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 156 PHE HD2 160 LEU QQD 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2308, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 156 PHE HZ 160 LEU QQD 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2304, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 156 PHE HD2 160 LEU QQD 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2308, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 156 PHE HD1 160 LEU QQD 6.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2300, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 156 PHE HZ 160 LEU QQD 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2304, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 156 PHE HD1 48 MET HE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2300, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 762, 763, 764,
&end
#
# 156 PHE HD2 48 MET HE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2308, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 762, 763, 764,
&end
#
# 156 PHE HB- 48 MET HE 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2296, 2297,
igr2= 762, 763, 764,
&end
#
# 156 PHE HA 156 PHE HD1 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2294, 2300, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 157 GLN HB+ 157 GLN QG 3.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 2316, 2317,
igr2= 2319, 2320,
&end
#
# 157 GLN HA 157 GLN QG 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 2319, 2320,
&end
#
# 157 GLN HB- 157 GLN QG 3.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 2316, 2317,
igr2= 2319, 2320,
&end
#
# 157 GLN QG 157 GLN HE2+ 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 2319, 2320,
igr2= 2324, 2325,
&end
#
# 157 GLN QG 157 GLN HE2- 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 2319, 2320,
igr2= 2324, 2325,
&end
#
# 157 GLN HA 157 GLN HE2- 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 2324, 2325,
&end
#
# 157 GLN H 157 GLN HB+ 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2312, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 2316, 2317,
&end
#
# 157 GLN H 157 GLN QG 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2312, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 2319, 2320,
&end
#
# 157 GLN H 157 GLN HB- 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2312, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 2316, 2317,
&end
#
# 157 GLN H 157 GLN QB 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2312, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 2316, 2317,
&end
#
# 157 GLN QB 157 GLN QG 3.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1= 2316, 2317,
igr2= 2319, 2320,
&end
#
# 157 GLN QB 157 GLN HE2- 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 2316, 2317,
igr2= 2324, 2325,
&end
#
# 157 GLN H 158 GLN H 3.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2312, 2329, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 157 GLN QG 158 GLN H 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2329, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 2319, 2320,
&end
#
# 157 GLN QB 158 GLN H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2316, 2317,
&end
#
# 157 GLN HA 13 LEU QQD 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 157 GLN HB- 13 LEU QQD 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2316, 2317,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 157 GLN HB+ 13 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2316, 2317,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 157 GLN QG 13 LEU QQD 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2319, 2320,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 157 GLN H 160 LEU H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2312, 2365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 157 GLN HA 159 LEU H 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, 2346, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 157 GLN H 159 LEU H 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2312, 2346, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 157 GLN HA 160 LEU HG 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, 2372, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 157 GLN HA 160 LEU H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, 2365, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 157 GLN HA 160 LEU QB 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 2369, 2370,
&end
#
# 157 GLN HA 160 LEU QQD 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2314, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 157 GLN QG 160 LEU QQD 8.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 2319, 2320,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 158 GLN H 161 ASN H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2329, 2384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLN HA 161 ASN HB- 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2331, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 2388, 2389,
&end
#
# 158 GLN HA 161 ASN HB+ 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2331, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 2388, 2389,
&end
#
# 158 GLN HA 161 ASN H 3.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2331, 2384, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 158 GLN HA 158 GLN HG+ 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2331, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 2336, 2337,
&end
#
# 158 GLN HA 158 GLN HG- 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2331, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 2336, 2337,
&end
#
# 158 GLN H 158 GLN QB 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2329, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 2333, 2334,
&end
#
# 158 GLN H 158 GLN QG 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2329, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 2336, 2337,
&end
#
# 158 GLN QB 158 GLN QE2 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 2333, 2334,
igr2= 2341, 2342,
&end
#
# 158 GLN QG 158 GLN QE2 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 2336, 2337,
igr2= 2341, 2342,
&end
#
# 158 GLN HG- 159 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2336, 2337,
&end
#
# 158 GLN HG+ 159 LEU H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2336, 2337,
&end
#
# 158 GLN H 159 LEU H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2329, 2346, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 158 GLN QB 159 LEU H 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 2333, 2334,
&end
#
# 158 GLN QG 159 LEU H 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2346, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 2336, 2337,
&end
#
# 158 GLN HA 160 LEU H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2331, 2365, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 159 LEU H 161 ASN H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2346, 2384, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 159 LEU HA 162 GLN QB 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2348, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 2402, 2403,
&end
#
# 159 LEU QB 162 GLN H 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2350, 2351,
&end
#
# 159 LEU HA 162 GLN H 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2348, 2398, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 159 LEU HA 162 GLN QG 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2348, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 2405, 2406,
&end
#
# 159 LEU QQD 162 GLN QB 8.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 2402, 2403,
&end
#
# 159 LEU QQD 68 HIS HD2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 68 HIS HD2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 68 HIS HE1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 44 HIS HD2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 20 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= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 159 LEU HA 159 LEU QQD 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2348, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QB 159 LEU QQD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 2350, 2351,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU HA 159 LEU QQD 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2348, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QB 159 LEU QQD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 2350, 2351,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU H 159 LEU QQD 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2346, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU H 159 LEU QB 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2346, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 2350, 2351,
&end
#
# 159 LEU H 159 LEU HG 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2346, 2353, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 159 LEU H 159 LEU QQD 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2346, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU H 159 LEU QQD 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2346, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU HA 159 LEU QQD 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2348, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU HG 160 LEU H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2353, 2365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 159 LEU H 160 LEU H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2346, 2365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 159 LEU QQD 160 LEU H 6.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2365, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 48 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 762, 763, 764,
&end
#
# 159 LEU QQD 48 MET HE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 762, 763, 764,
&end
#
# 159 LEU QQD 48 MET HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 755, 756,
&end
#
# 159 LEU HA 47 THR QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2348, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 743, 744, 745,
&end
#
# 159 LEU QB 47 THR QG2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2350, 2351,
igr2= 743, 744, 745,
&end
#
# 159 LEU QQD 47 THR QG2 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 743, 744, 745,
&end
#
# 159 LEU QQD 47 THR QG2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 743, 744, 745,
&end
#
# 159 LEU QQD 47 THR HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 47 THR HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 47 THR HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 47 THR HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
&end
#
# 159 LEU QQD 51 VAL QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2355, 2356, 2357, 2359, 2360, 2361,
igr2= 814, 815, 816,
&end
#
# 160 LEU HG 161 ASN H 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2372, 2384, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 160 LEU H 161 ASN H 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2365, 2384, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 160 LEU QB 161 ASN H 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2384, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 2369, 2370,
&end
#
# 160 LEU QQD 17 GLN HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU H 162 GLN QB 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 2402, 2403,
&end
#
# 160 LEU QB 162 GLN H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2398, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 2369, 2370,
&end
#
# 160 LEU QQD 44 HIS HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU QQD 44 HIS HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU QQD 44 HIS HD2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU QQD 44 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU QQD 13 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 160 LEU QQD 13 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 160 LEU HG 13 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2372, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 160 LEU HA 20 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2367, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 160 LEU HB- 20 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2369, 2370,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 160 LEU HB+ 20 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2369, 2370,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 160 LEU QQD 13 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU HA 160 LEU QQD 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2367, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU HA 160 LEU QQD 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2367, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU H 160 LEU QQD 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2365, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU H 160 LEU QQD 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2365, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU H 160 LEU HG 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2365, 2372, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 160 LEU H 160 LEU QB 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2365, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 2369, 2370,
&end
#
# 160 LEU H 160 LEU QQD 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2365, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU HA 160 LEU QQD 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2367, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 2374, 2375, 2376, 2378, 2379, 2380,
&end
#
# 160 LEU QQD 48 MET HE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
igr2= 762, 763, 764,
&end
#
# 160 LEU QQD 48 MET HE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
igr2= 762, 763, 764,
&end
#
# 160 LEU QQD 48 MET HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
igr2= 755, 756,
&end
#
# 160 LEU QQD 48 MET HE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2374, 2375, 2376, 2378, 2379, 2380,
igr2= 762, 763, 764,
&end
#
# 160 LEU QQD 164 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= 2374, 2375, 2376, 2378, 2379, 2380,
igr2= 2428, 2429, 2430, 2432, 2433, 2434,
&end
#
# 161 ASN H 161 ASN HB- 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2384, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr2= 2388, 2389,
&end
#
# 161 ASN H 161 ASN HB+ 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2384, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr2= 2388, 2389,
&end
#
# 161 ASN H 161 ASN QB 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2384, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 2388, 2389,
&end
#
# 161 ASN QB 161 ASN QD2 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 2388, 2389,
igr2= 2393, 2394,
&end
#
# 161 ASN HB- 162 GLN H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2398, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 2388, 2389,
&end
#
# 161 ASN HA 162 GLN H 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2386, 2398, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 161 ASN HB+ 162 GLN H 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2398, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 2388, 2389,
&end
#
# 161 ASN H 162 GLN H 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2384, 2398, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 161 ASN QB 162 GLN H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2398, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 2388, 2389,
&end
#
# 162 GLN H 162 GLN QB 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2398, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 2402, 2403,
&end
#
# 162 GLN H 162 GLN QG 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2398, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 2405, 2406,
&end
#
# 162 GLN HA 162 GLN QG 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2400, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 2405, 2406,
&end
#
# 162 GLN QB 162 GLN QE2 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 2402, 2403,
igr2= 2410, 2411,
&end
#
# 162 GLN QG 162 GLN QE2 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 2405, 2406,
igr2= 2410, 2411,
&end
#
# 162 GLN QB 163 GLY H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2402, 2403,
&end
#
# 162 GLN HA 163 GLY H 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2400, 2415, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 162 GLN H 163 GLY H 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2398, 2415, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 162 GLN QG 163 GLY H 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2415, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 2405, 2406,
&end
#
# 163 GLY QA 44 HIS HE1 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 2417, 2418,
&end
#
# 163 GLY H 164 VAL H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2415, 2422, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 163 GLY QA 164 VAL H 3.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2422, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 2417, 2418,
&end
#
# 164 VAL QG1 44 HIS HE1 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 2428, 2429, 2430,
&end
#
# 164 VAL HA 44 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2424, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 VAL QG1 20 LEU QQD 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 2428, 2429, 2430,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 164 VAL QG2 42 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2432, 2433, 2434,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 164 VAL QG1 42 LEU QQD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2428, 2429, 2430,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 164 VAL HB 165 SER H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2426, 2438, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 164 VAL HA 165 SER H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2424, 2438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 164 VAL QG1 165 SER H 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2438, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 2428, 2429, 2430,
&end
#
# 164 VAL QG2 165 SER H 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2438, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 2432, 2433, 2434,
&end
#
# 164 VAL H 165 SER H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2422, 2438, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 164 VAL QQG 165 SER H 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2438, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 2428, 2429, 2430, 2432, 2433, 2434,
&end
#
# 164 VAL HA 164 VAL QG2 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2424, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 2432, 2433, 2434,
&end
#
# 164 VAL HA 164 VAL QG1 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2424, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 2428, 2429, 2430,
&end
#
# 164 VAL H 164 VAL HB 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2422, 2426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 164 VAL H 164 VAL QQG 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2422, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 2428, 2429, 2430, 2432, 2433, 2434,
&end
#
# 164 VAL HA 164 VAL QQG 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2424, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 2428, 2429, 2430, 2432, 2433, 2434,
&end
#
# 165 SER QB 166 MET H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2449, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 2442, 2443,
&end
#
# 165 SER QB 166 MET QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 2442, 2443,
igr2= 2453, 2454,
&end
#
# 165 SER HA 165 SER QB 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2440, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 2442, 2443,
&end
#
# 165 SER H 165 SER QB 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2438, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 2442, 2443,
&end
#
# 166 MET HA 166 MET QE 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2451, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 2460, 2461, 2462,
&end
#
# 166 MET H 166 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2449, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 2460, 2461, 2462,
&end
#
# 166 MET HA 166 MET QG 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2451, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 2456, 2457,
&end
#
# 166 MET H 165 SER H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2449, 2438, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 167 SER QB 168 HIS H 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2477, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 2470, 2471,
&end
#
# 170 THR HA 170 THR HB 3.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2507, 2509, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 170 THR HA 170 THR QG2 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2507, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 2511, 2512, 2513,
&end
#
# 170 THR H 170 THR QG2 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2505, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 2511, 2512, 2513,
&end
#
# 171 ALA H 171 ALA QB 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2519, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 2523, 2524, 2525,
&end
#
# 171 ALA QB 172 GLU- H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 2529, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 2523, 2524, 2525,
&end
#
# 171 ALA HA 172 GLU- H 3.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2521, 2529, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 172 GLU- H 172 GLU- QB 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2529, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 2533, 2534,
&end
#
# 172 GLU- H 172 GLU- QG 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 2529, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 2536, 2537,
&end
#
# 2 THR HA 2 THR QG2 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 18, 19, 20,
&end
#
# 4 PRO HB- 6 ALA HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 40, 41,
&end
#
# 4 PRO HB- 5 THR HA 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 40, 41,
&end
#
# 4 PRO HG+ 5 THR H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 37, 38,
&end
#
# 4 PRO HB+ 5 THR H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 40, 41,
&end
#
# 4 PRO HA 5 THR H 3.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 43, 47, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 5 THR QG2 6 ALA H 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 53, 54, 55,
&end
#
# 5 THR HB 6 ALA H 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 51, 61, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 5 THR HA 5 THR QG2 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 53, 54, 55,
&end
#
# 5 THR HA 5 THR HB 2.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 49, 51, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 5 THR H 5 THR QG2 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 53, 54, 55,
&end
#
# 5 THR H 5 THR HB 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 47, 51, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 6 ALA H 6 ALA QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 65, 66, 67,
&end
#
# 6 ALA QB 7 ASP- H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 65, 66, 67,
&end
#
# 6 ALA HA 7 ASP- H 3.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 63, 71, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 7 ASP- H 7 ASP- QB 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 75, 76,
&end
#
# 7 ASP- QB 9 GLU- H 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 75, 76,
&end
#
# 7 ASP- QB 9 GLU- QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
igr2= 101, 102,
&end
#
# 7 ASP- QB 10 LYS+ HB- 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 75, 76,
igr2= 116, 117,
&end
#
# 7 ASP- QB 10 LYS+ HB+ 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 75, 76,
igr2= 116, 117,
&end
#
# 7 ASP- QB 10 LYS+ H 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 75, 76,
&end
#
# 7 ASP- QB 10 LYS+ QB 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 75, 76,
igr2= 116, 117,
&end
#
# 7 ASP- QB 10 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= 75, 76,
igr2= 119, 120,
&end
#
# 7 ASP- QB 8 PRO HD- 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 75, 76,
igr2= 84, 85,
&end
#
# 7 ASP- HA 8 PRO HD- 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 84, 85,
&end
#
# 7 ASP- HA 8 PRO HG+ 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 87, 88,
&end
#
# 7 ASP- HA 8 PRO HD+ 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 84, 85,
&end
#
# 7 ASP- HA 8 PRO HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 90, 91,
&end
#
# 7 ASP- HA 8 PRO HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 87, 88,
&end
#
# 7 ASP- HA 8 PRO HG+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 87, 88,
&end
#
# 7 ASP- HA 8 PRO HD- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 84, 85,
&end
#
# 7 ASP- HA 8 PRO HD+ 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 84, 85,
&end
#
# 7 ASP- QB 8 PRO HD- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 75, 76,
igr2= 84, 85,
&end
#
# 7 ASP- QB 8 PRO HD+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 75, 76,
igr2= 84, 85,
&end
#
# 7 ASP- HA 4 PRO HG+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 37, 38,
&end
#
# 7 ASP- QB 4 PRO HG+ 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
igr2= 37, 38,
&end
#
# 7 ASP- QB 4 PRO HG- 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
igr2= 37, 38,
&end
#
# 8 PRO HA 11 ARG+ QB 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 138, 139,
&end
#
# 8 PRO HD- 9 GLU- H 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 84, 85,
&end
#
# 8 PRO QB 9 GLU- H 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 90, 91,
&end
#
# 8 PRO QG 9 GLU- H 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 87, 88,
&end
#
# 9 GLU- HA 11 ARG+ H 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, 134, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 9 GLU- H 11 ARG+ H 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, 134, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 9 GLU- H 11 ARG+ QB 6.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 138, 139,
&end
#
# 9 GLU- HA 9 GLU- HG- 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 104, 105,
&end
#
# 9 GLU- HA 9 GLU- HG+ 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 104, 105,
&end
#
# 9 GLU- H 9 GLU- QB 3.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 101, 102,
&end
#
# 9 GLU- H 9 GLU- QG 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 104, 105,
&end
#
# 9 GLU- HA 9 GLU- QG 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 104, 105,
&end
#
# 9 GLU- QB 9 GLU- QG 2.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1= 101, 102,
igr2= 104, 105,
&end
#
# 9 GLU- HA 12 LYS+ QE 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 171, 172,
&end
#
# 9 GLU- HG+ 12 LYS+ QD 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 104, 105,
igr2= 168, 169,
&end
#
# 9 GLU- HG- 12 LYS+ QD 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 104, 105,
igr2= 168, 169,
&end
#
# 9 GLU- HA 12 LYS+ QD 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 168, 169,
&end
#
# 9 GLU- HA 12 LYS+ HG- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 165, 166,
&end
#
# 9 GLU- HA 12 LYS+ HG+ 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 165, 166,
&end
#
# 9 GLU- H 12 LYS+ QD 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 168, 169,
&end
#
# 9 GLU- H 10 LYS+ H 3.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, 112, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 9 GLU- H 12 LYS+ H 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, 158, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 9 GLU- HA 12 LYS+ H 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, 158, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 9 GLU- HA 12 LYS+ QG 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 165, 166,
&end
#
# 9 GLU- QB 10 LYS+ H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 101, 102,
&end
#
# 9 GLU- QB 12 LYS+ QG 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 101, 102,
igr2= 165, 166,
&end
#
# 9 GLU- QG 10 LYS+ H 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 104, 105,
&end
#
# 9 GLU- QG 12 LYS+ H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 104, 105,
&end
#
# 9 GLU- QG 12 LYS+ QD 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 104, 105,
igr2= 168, 169,
&end
#
# 10 LYS+ H 11 ARG+ H 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, 134, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 10 LYS+ QB 11 ARG+ H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 116, 117,
&end
#
# 10 LYS+ QE 11 ARG+ H 6.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 125, 126,
&end
#
# 10 LYS+ HE- 14 ILE QG2 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 125, 126,
igr2= 205, 206, 207,
&end
#
# 10 LYS+ HE+ 14 ILE QG2 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 125, 126,
igr2= 205, 206, 207,
&end
#
# 10 LYS+ HA 14 ILE QD1 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 212, 213, 214,
&end
#
# 10 LYS+ HA 14 ILE QG2 6.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 205, 206, 207,
&end
#
# 10 LYS+ QB 14 ILE QG2 6.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 116, 117,
igr2= 205, 206, 207,
&end
#
# 10 LYS+ QB 14 ILE QD1 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 116, 117,
igr2= 212, 213, 214,
&end
#
# 10 LYS+ QG 14 ILE QG2 7.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 119, 120,
igr2= 205, 206, 207,
&end
#
# 10 LYS+ QG 14 ILE QD1 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 119, 120,
igr2= 212, 213, 214,
&end
#
# 10 LYS+ QE 14 ILE QG2 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 125, 126,
igr2= 205, 206, 207,
&end
#
# 10 LYS+ QE 14 ILE QD1 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 125, 126,
igr2= 212, 213, 214,
&end
#
# 10 LYS+ HB- 10 LYS+ QD 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 116, 117,
igr2= 122, 123,
&end
#
# 10 LYS+ HA 10 LYS+ QD 6.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 122, 123,
&end
#
# 10 LYS+ HB+ 10 LYS+ QD 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 116, 117,
igr2= 122, 123,
&end
#
# 10 LYS+ HA 10 LYS+ HG+ 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 119, 120,
&end
#
# 10 LYS+ HA 10 LYS+ HG- 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 119, 120,
&end
#
# 10 LYS+ H 10 LYS+ HG- 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 119, 120,
&end
#
# 10 LYS+ H 10 LYS+ HB- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 116, 117,
&end
#
# 10 LYS+ H 10 LYS+ HG+ 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 119, 120,
&end
#
# 10 LYS+ H 10 LYS+ HB+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 116, 117,
&end
#
# 10 LYS+ H 12 LYS+ H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, 158, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 10 LYS+ H 10 LYS+ QB 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 116, 117,
&end
#
# 10 LYS+ H 10 LYS+ QG 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 119, 120,
&end
#
# 10 LYS+ HA 10 LYS+ QG 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 119, 120,
&end
#
# 10 LYS+ QB 10 LYS+ QD 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 116, 117,
igr2= 122, 123,
&end
#
# 10 LYS+ QB 10 LYS+ QE 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 116, 117,
igr2= 125, 126,
&end
#
# 10 LYS+ QG 10 LYS+ QE 5.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 119, 120,
igr2= 125, 126,
&end
#
# 11 ARG+ QB 11 ARG+ HD- 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 138, 139,
igr2= 144, 145,
&end
#
# 11 ARG+ QB 11 ARG HD+ 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 138, 139,
igr2= 144, 145,
&end
#
# 11 ARG+ H 11 ARG+ HG+ 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 141, 142,
&end
#
# 11 ARG+ H 11 ARG+ HG- 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 141, 142,
&end
#
# 11 ARG+ H 11 ARG+ QB 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 138, 139,
&end
#
# 11 ARG+ H 11 ARG+ QG 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 141, 142,
&end
#
# 11 ARG+ H 11 ARG+ QD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 144, 145,
&end
#
# 11 ARG+ HA 11 ARG+ QD 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 144, 145,
&end
#
# 11 ARG+ QB 11 ARG+ QD 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 138, 139,
igr2= 144, 145,
&end
#
# 11 ARG+ HA 14 ILE QD1 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 212, 213, 214,
&end
#
# 11 ARG+ HA 14 ILE HB 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, 203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 11 ARG+ HA 14 ILE QG2 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 205, 206, 207,
&end
#
# 11 ARG+ H 14 ILE QD1 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 212, 213, 214,
&end
#
# 11 ARG+ HA 14 ILE H 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, 199, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 11 ARG+ HA 14 ILE QG1 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 209, 210,
&end
#
# 11 ARG+ QG 14 ILE QD1 6.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 141, 142,
igr2= 212, 213, 214,
&end
#
# 11 ARG+ H 12 LYS+ H 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 134, 158, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 11 ARG+ QB 12 LYS+ H 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 138, 139,
&end
#
# 11 ARG+ QB 89 VAL QG2 6.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 138, 139,
igr2= 1387, 1388, 1389,
&end
#
# 11 ARG+ QB 89 VAL QG1 6.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 138, 139,
igr2= 1383, 1384, 1385,
&end
#
# 11 ARG+ HA 89 VAL QG1 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 1383, 1384, 1385,
&end
#
# 11 ARG+ HA 89 VAL QG2 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 1387, 1388, 1389,
&end
#
# 11 ARG+ QB 89 VAL QQG 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 138, 139,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 11 ARG+ QG 89 VAL QQG 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 141, 142,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 11 ARG+ QD 89 VAL QQG 6.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 144, 145,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 12 LYS+ HA 15 GLN QB 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 222, 223,
&end
#
# 12 LYS+ HA 15 GLN QG 5.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 225, 226,
&end
#
# 12 LYS+ H 14 ILE H 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158, 199, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 12 LYS+ QB 12 LYS+ QD 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 162, 163,
igr2= 168, 169,
&end
#
# 12 LYS+ HG+ 12 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= 165, 166,
igr2= 171, 172,
&end
#
# 12 LYS+ HG- 12 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= 165, 166,
igr2= 171, 172,
&end
#
# 12 LYS+ QB 12 LYS+ QE 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 162, 163,
igr2= 171, 172,
&end
#
# 12 LYS+ HG+ 12 LYS+ QD 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 165, 166,
igr2= 168, 169,
&end
#
# 12 LYS+ QD 12 LYS+ QE 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 168, 169,
igr2= 171, 172,
&end
#
# 12 LYS+ HG- 12 LYS+ QD 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 165, 166,
igr2= 168, 169,
&end
#
# 12 LYS+ HA 12 LYS+ QB 3.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 162, 163,
&end
#
# 12 LYS+ H 12 LYS+ HG- 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 165, 166,
&end
#
# 12 LYS+ H 12 LYS+ HG+ 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 165, 166,
&end
#
# 12 LYS+ H 12 LYS+ QD 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 168, 169,
&end
#
# 12 LYS+ H 12 LYS+ QB 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 162, 163,
&end
#
# 12 LYS+ H 12 LYS+ QG 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 165, 166,
&end
#
# 12 LYS+ QG 12 LYS+ QD 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 165, 166,
igr2= 168, 169,
&end
#
# 12 LYS+ QG 12 LYS+ QE 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 165, 166,
igr2= 171, 172,
&end
#
# 13 LEU HA 16 GLN HG+ 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 242, 243,
&end
#
# 13 LEU HA 16 GLN HG- 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 242, 243,
&end
#
# 13 LEU HA 16 GLN H 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, 235, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 13 LEU HA 16 GLN QG 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 242, 243,
&end
#
# 13 LEU QB 14 ILE H 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 184, 185,
&end
#
# 13 LEU QQD 14 ILE H 5.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 189, 190, 191, 193, 194, 195,
&end
#
# 13 LEU H 13 LEU HG 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 180, 187, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 13 LEU HA 13 LEU QQD 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 189, 190, 191, 193, 194, 195,
&end
#
# 14 ILE HB 15 GLN HA 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 14 ILE QG2 15 GLN H 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 205, 206, 207,
&end
#
# 14 ILE QD1 15 GLN H 5.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 212, 213, 214,
&end
#
# 14 ILE H 15 GLN H 2.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 14 ILE H 17 GLN H 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, 252, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 14 ILE QG2 17 GLN H 6.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 205, 206, 207,
&end
#
# 14 ILE HA 17 GLN H 4.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 201, 252, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 14 ILE HA 17 GLN QB 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 256, 257,
&end
#
# 14 ILE HA 17 GLN QG 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 259, 260,
&end
#
# 14 ILE QG2 17 GLN QB 6.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 205, 206, 207,
igr2= 256, 257,
&end
#
# 14 ILE QG2 17 GLN QG 6.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 205, 206, 207,
igr2= 259, 260,
&end
#
# 14 ILE QG1 15 GLN H 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 209, 210,
&end
#
# 14 ILE HB 75 ILE QD1 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 1162, 1163, 1164,
&end
#
# 14 ILE QG2 75 ILE QD1 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 205, 206, 207,
igr2= 1162, 1163, 1164,
&end
#
# 14 ILE HB 14 ILE QD1 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 212, 213, 214,
&end
#
# 14 ILE QG2 14 ILE QD1 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 205, 206, 207,
igr2= 212, 213, 214,
&end
#
# 14 ILE HA 14 ILE QD1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 212, 213, 214,
&end
#
# 14 ILE HA 75 ILE QD1 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 1162, 1163, 1164,
&end
#
# 14 ILE HA 14 ILE QG2 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 205, 206, 207,
&end
#
# 14 ILE H 14 ILE HB 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 14 ILE H 14 ILE HG13 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 14 ILE H 14 ILE HG12 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, 209, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 14 ILE H 14 ILE QG2 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 205, 206, 207,
&end
#
# 14 ILE H 14 ILE QG1 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 209, 210,
&end
#
# 14 ILE HB 14 ILE QG1 2.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 209, 210,
&end
#
# 14 ILE QG2 14 ILE QG1 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 205, 206, 207,
igr2= 209, 210,
&end
#
# 14 ILE HB 89 VAL QQG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 14 ILE QG1 89 VAL QQG 6.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 209, 210,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 15 GLN HA 15 GLN HG+ 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 225, 226,
&end
#
# 15 GLN HA 15 GLN HG- 4.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 225, 226,
&end
#
# 15 GLN H 15 GLN HG+ 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 225, 226,
&end
#
# 15 GLN H 15 GLN HG- 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 225, 226,
&end
#
# 15 GLN H 16 GLN H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, 235, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 15 GLN HA 17 GLN H 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220, 252, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 15 GLN H 17 GLN H 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218, 252, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 15 GLN QB 15 GLN QE2 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 222, 223,
igr2= 230, 231,
&end
#
# 15 GLN HA 93 LEU QQD 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 15 GLN HA 93 LEU QQD 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 15 GLN HA 93 LEU QQD 5.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 15 GLN QG 93 LEU QQD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 225, 226,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 15 GLN QE2 93 LEU QQD 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 230, 231,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 15 GLN HA 89 VAL QQG 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 15 GLN QB 89 VAL QQG 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 222, 223,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 15 GLN QG 89 VAL HA 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1379, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 225, 226,
&end
#
# 15 GLN QG 89 VAL QQG 5.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 225, 226,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 15 GLN QE2 89 VAL HA 5.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1379, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 230, 231,
&end
#
# 15 GLN QE2 89 VAL HB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1381, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 230, 231,
&end
#
# 15 GLN QE2 89 VAL QQG 6.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 230, 231,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 16 GLN HA 17 GLN HA 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 16 GLN HE2+ 17 GLN HA 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 247, 248,
&end
#
# 16 GLN HE2- 17 GLN HA 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 247, 248,
&end
#
# 16 GLN H 16 GLN HB+ 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 239, 240,
&end
#
# 16 GLN H 16 GLN HB- 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 239, 240,
&end
#
# 16 GLN H 17 GLN H 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 235, 252, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 16 GLN H 16 GLN QG 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 242, 243,
&end
#
# 16 GLN HA 16 GLN QG 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 242, 243,
&end
#
# 16 GLN HA 16 GLN QE2 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 247, 248,
&end
#
# 16 GLN HE2+ 20 LEU QB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 247, 248,
igr2= 308, 309,
&end
#
# 16 GLN HE2- 20 LEU QB 5.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 247, 248,
igr2= 308, 309,
&end
#
# 16 GLN HA 20 LEU H 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 237, 304, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 16 GLN QE2 20 LEU QB 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 247, 248,
igr2= 308, 309,
&end
#
# 16 GLN HA 19 VAL QG2 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 298, 299, 300,
&end
#
# 16 GLN HA 19 VAL QG1 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 294, 295, 296,
&end
#
# 16 GLN HA 19 VAL QQG 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 16 GLN QB 19 VAL QQG 6.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 239, 240,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 16 GLN QE2 19 VAL QQG 6.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 247, 248,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 17 GLN H 17 GLN QB 3.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 256, 257,
&end
#
# 17 GLN H 17 GLN QG 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 259, 260,
&end
#
# 17 GLN HA 17 GLN QE2 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 264, 265,
&end
#
# 17 GLN QG 75 ILE QG1 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 259, 260,
igr2= 1159, 1160,
&end
#
# 17 GLN QE2 75 ILE QD1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 264, 265,
igr2= 1162, 1163, 1164,
&end
#
# 17 GLN HA 18 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLN HA 20 LEU QB 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 308, 309,
&end
#
# 17 GLN HE2- 21 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 264, 265,
&end
#
# 17 GLN HE2+ 21 LEU HG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 264, 265,
&end
#
# 17 GLN HA 20 LEU H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, 304, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 17 GLN HA 21 LEU H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254, 323, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 17 GLN H 18 LEU H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 252, 269, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 17 GLN QE2 21 LEU QB 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 264, 265,
igr2= 327, 328,
&end
#
# 17 GLN QE2 21 LEU HG 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 264, 265,
&end
#
# 17 GLN QE2 21 LEU QQD 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 264, 265,
igr2= 332, 333, 334, 336, 337, 338,
&end
#
# 18 LEU HG 75 ILE QD1 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1162, 1163, 1164,
&end
#
# 18 LEU QB 75 ILE QG1 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 273, 274,
igr2= 1159, 1160,
&end
#
# 18 LEU QB 75 ILE QD1 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 273, 274,
igr2= 1162, 1163, 1164,
&end
#
# 18 LEU QQD 75 ILE QG2 7.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 1155, 1156, 1157,
&end
#
# 18 LEU HA 18 LEU QQD 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU HA 18 LEU QQD 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU HA 20 LEU H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 271, 304, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 LEU HA 21 LEU H 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 271, 323, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 18 LEU H 18 LEU HG 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 18 LEU H 18 LEU QQD 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU H 18 LEU QQD 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU H 20 LEU H 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 269, 304, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 18 LEU H 18 LEU QB 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 273, 274,
&end
#
# 18 LEU HA 18 LEU QQD 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU HA 21 LEU QB 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 327, 328,
&end
#
# 18 LEU QB 22 LEU HG 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 273, 274,
&end
#
# 18 LEU QB 22 LEU QQD 7.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 273, 274,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 18 LEU HG 22 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 18 LEU HG 93 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 18 LEU QQD 22 LEU QQD 7.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 18 LEU QQD 93 LEU H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1436, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 93 LEU HG 6.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1443, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 93 LEU QQD 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 18 LEU QQD 79 TRP HE3 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 79 TRP HH2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1230, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 79 TRP HE3 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 79 TRP HH2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1230, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 79 TRP HE1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1225, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 79 TRP HE1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1225, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 79 TRP QB 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 1219, 1220,
&end
#
# 18 LEU QQD 79 TRP HE1 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1225, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 79 TRP HH2 6.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1230, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QB 19 VAL H 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 273, 274,
&end
#
# 18 LEU QQD 19 VAL H 7.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 LEU QQD 19 VAL HA 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 19 VAL QQG 23 HIS QB 7.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 294, 295, 296, 298, 299, 300,
igr2= 365, 366,
&end
#
# 19 VAL H 20 LEU H 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 288, 304, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 19 VAL H 93 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 19 VAL HB 93 LEU QQD 6.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 19 VAL QQG 20 LEU H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 294, 295, 296, 298, 299, 300,
&end
#
# 19 VAL QQG 20 LEU HA 7.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 294, 295, 296, 298, 299, 300,
&end
#
# 19 VAL QQG 20 LEU QB 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 294, 295, 296, 298, 299, 300,
igr2= 308, 309,
&end
#
# 19 VAL QQG 21 LEU H 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 295, 296, 298, 299, 300,
&end
#
# 19 VAL QQG 93 LEU HG 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1443, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 294, 295, 296, 298, 299, 300,
&end
#
# 19 VAL QQG 93 LEU QQD 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 294, 295, 296, 298, 299, 300,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 19 VAL QG1 42 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 296,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 19 VAL QG1 42 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 296,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 19 VAL QG2 42 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 298, 299, 300,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 19 VAL QG2 42 LEU QQD 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 298, 299, 300,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 19 VAL H 19 VAL QG1 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 294, 295, 296,
&end
#
# 19 VAL H 19 VAL QG2 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 298, 299, 300,
&end
#
# 19 VAL H 19 VAL HB 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 19 VAL H 19 VAL QQG 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 20 LEU QQD 24 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= 313, 314, 315, 317, 318, 319,
igr2= 382, 383, 384,
&end
#
# 20 LEU HG 45 CYSZ HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU QQD 45 CYSZ HA 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU QQD 45 CYSZ HA 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU QQD 45 CYSZ HA 4.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU QQD 45 CYSZ QB 7.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 708, 707,
&end
#
# 20 LEU QB 23 HIS HD2 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 308, 309,
&end
#
# 20 LEU QQD 23 HIS HD2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU QQD 23 HIS HD2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU QB 23 HIS QB 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 308, 309,
igr2= 365, 366,
&end
#
# 20 LEU QQD 23 HIS QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 365, 366,
&end
#
# 20 LEU QQD 23 HIS HD2 6.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU H 20 LEU QB 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 308, 309,
&end
#
# 20 LEU H 20 LEU QQD 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU H 20 LEU QQD 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU HG 21 LEU H 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 20 LEU QB 21 LEU H 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 308, 309,
&end
#
# 20 LEU H 21 LEU H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304, 323, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LEU H 22 LEU H 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304, 342, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 LEU H 20 LEU QQD 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 313, 314, 315, 317, 318, 319,
&end
#
# 20 LEU QQD 48 MET HG+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 758, 759,
&end
#
# 20 LEU QQD 48 MET HG+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 758, 759,
&end
#
# 20 LEU QQD 48 MET HG- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 758, 759,
&end
#
# 20 LEU QQD 48 MET HG- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 758, 759,
&end
#
# 20 LEU QQD 48 MET QB 7.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 755, 756,
&end
#
# 20 LEU QQD 48 MET QG 6.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 313, 314, 315, 317, 318, 319,
igr2= 758, 759,
&end
#
# 21 LEU HA 25 HIS H 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 325, 388, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 21 LEU HA 25 HIS QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 392, 393,
&end
#
# 21 LEU H 21 LEU QQD 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 332, 333, 334, 336, 337, 338,
&end
#
# 21 LEU H 21 LEU HG 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= 323, 330, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 21 LEU H 21 LEU QQD 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 332, 333, 334, 336, 337, 338,
&end
#
# 21 LEU H 22 LEU H 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 323, 342, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 21 LEU H 21 LEU QQD 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 332, 333, 334, 336, 337, 338,
&end
#
# 21 LEU HA 21 LEU QQD 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 332, 333, 334, 336, 337, 338,
&end
#
# 21 LEU HA 52 LEU QQD 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 21 LEU QB 22 LEU H 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 327, 328,
&end
#
# 21 LEU QQD 22 LEU H 6.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 332, 333, 334, 336, 337, 338,
&end
#
# 21 LEU QQD 48 MET QB 6.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 332, 333, 334, 336, 337, 338,
igr2= 755, 756,
&end
#
# 22 LEU H 23 HIS H 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 22 LEU H 75 ILE QG2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 1155, 1156, 1157,
&end
#
# 22 LEU QQD 75 ILE QG2 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1155, 1156, 1157,
&end
#
# 22 LEU QQD 75 ILE QG1 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1159, 1160,
&end
#
# 22 LEU QQD 76 ILE QD1 7.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1181, 1182, 1183,
&end
#
# 22 LEU HA 22 LEU QQD 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 22 LEU HA 22 LEU QQD 5.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 22 LEU H 22 LEU HB+ 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 346, 347,
&end
#
# 22 LEU H 22 LEU HG 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 LEU H 22 LEU HB- 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 346, 347,
&end
#
# 22 LEU H 22 LEU QQD 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 22 LEU HA 22 LEU QQD 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 22 LEU QQD 79 TRP HB- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1219, 1220,
&end
#
# 22 LEU QQD 79 TRP HB+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1219, 1220,
&end
#
# 22 LEU QQD 79 TRP HB- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1219, 1220,
&end
#
# 22 LEU QQD 79 TRP HB+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1219, 1220,
&end
#
# 22 LEU QQD 79 TRP QB 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 351, 352, 353, 355, 356, 357,
igr2= 1219, 1220,
&end
#
# 22 LEU QQD 79 TRP HD1 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1223, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 351, 352, 353, 355, 356, 357,
&end
#
# 22 LEU QQD 79 TRP HE3 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1234, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 351, 352, 353, 355, 356, 357,
&end
#
# 22 LEU QQD 79 TRP HE1 5.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1225, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 351, 352, 353, 355, 356, 357,
&end
#
# 23 HIS HD2 24 ALA HA 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 374, 380, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 23 HIS HA 24 ALA HA 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 23 HIS HB+ 24 ALA H 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 365, 366,
&end
#
# 23 HIS HB- 24 ALA H 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 365, 366,
&end
#
# 23 HIS QB 24 ALA H 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 365, 366,
&end
#
# 23 HIS HD2 27 CYS- HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 433, 432,
&end
#
# 23 HIS HD2 27 CYS- HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 433, 432,
&end
#
# 23 HIS HD2 27 CYS- QB 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 433, 432,
&end
#
# 23 HIS HE1 27 CYS- QB 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 433, 432,
&end
#
# 23 HIS HD2 45 CYSZ HB+ 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 708, 707,
&end
#
# 23 HIS HD2 45 CYSZ HB- 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 708, 707,
&end
#
# 23 HIS HD2 45 CYSZ HA 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 374, 705, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 24 ALA H 24 ALA QB 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 382, 383, 384,
&end
#
# 24 ALA HA 27 CYS- HB+ 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 433, 432,
&end
#
# 24 ALA HA 27 CYS- HB- 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 433, 432,
&end
#
# 24 ALA HA 27 CYS- HA 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 380, 430, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 24 ALA QB 27 CYS- H 6.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 382, 383, 384,
&end
#
# 24 ALA HA 27 CYS- H 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 24 ALA QB 27 CYS- QB 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 382, 383, 384,
igr2= 433, 432,
&end
#
# 24 ALA QB 45 CYSZ HA 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 382, 383, 384,
&end
#
# 24 ALA HA 45 CYSZ QB 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 708, 707,
&end
#
# 24 ALA QB 45 CYSZ QB 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 382, 383, 384,
igr2= 708, 707,
&end
#
# 24 ALA QB 28 GLN H 6.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 382, 383, 384,
&end
#
# 24 ALA QB 25 HIS H 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 382, 383, 384,
&end
#
# 24 ALA H 25 HIS H 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 24 ALA QB 25 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 382, 383, 384,
&end
#
# 24 ALA QB 52 LEU HG 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 382, 383, 384,
&end
#
# 24 ALA H 52 LEU QQD 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 24 ALA HA 52 LEU QQD 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 24 ALA QB 52 LEU QQD 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 382, 383, 384,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 24 ALA QB 49 LYS+ HA 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 382, 383, 384,
&end
#
# 24 ALA QB 49 LYS+ H 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 382, 383, 384,
&end
#
# 24 ALA QB 49 LYS+ QB 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 382, 383, 384,
igr2= 772, 773,
&end
#
# 24 ALA QB 49 LYS+ QD 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 382, 383, 384,
igr2= 778, 779,
&end
#
# 24 ALA QB 48 MET HG+ 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 382, 383, 384,
igr2= 758, 759,
&end
#
# 24 ALA QB 48 MET HG- 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 382, 383, 384,
igr2= 758, 759,
&end
#
# 24 ALA QB 48 MET QB 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 382, 383, 384,
igr2= 755, 756,
&end
#
# 24 ALA QB 48 MET QG 6.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 382, 383, 384,
igr2= 758, 759,
&end
#
# 25 HIS H 27 CYS- H 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 388, 428, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 25 HIS HA 28 GLN QE2 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 450, 451,
&end
#
# 25 HIS HA 25 HIS HD2 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 25 HIS H 25 HIS HB+ 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 392, 393,
&end
#
# 25 HIS H 25 HIS HB- 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 392, 393,
&end
#
# 25 HIS H 25 HIS QB 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 392, 393,
&end
#
# 25 HIS HD2 52 LEU QQD 6.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 25 HIS HD2 52 LEU QQD 6.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 25 HIS H 52 LEU QQD 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 25 HIS HA 52 LEU QQD 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 25 HIS QB 52 LEU QQD 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 392, 393,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 25 HIS HD2 52 LEU QQD 5.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 25 HIS HB+ 26 LYS+ HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 392, 393,
&end
#
# 25 HIS HB+ 26 LYS+ H 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 392, 393,
&end
#
# 25 HIS HB- 26 LYS+ H 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 392, 393,
&end
#
# 25 HIS H 26 LYS+ H 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 25 HIS QB 26 LYS+ H 3.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 392, 393,
&end
#
# 26 LYS+ HA 29 ARG+ HD- 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 465, 466,
&end
#
# 26 LYS+ HA 29 ARG HD+ 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 465, 466,
&end
#
# 26 LYS+ HA 29 ARG+ HG- 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 462, 463,
&end
#
# 26 LYS+ HA 29 ARG+ QB 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 459, 460,
&end
#
# 26 LYS+ HA 29 ARG+ HG+ 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 462, 463,
&end
#
# 26 LYS+ HA 29 ARG+ H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, 455, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 26 LYS+ HA 29 ARG+ QD 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 465, 466,
&end
#
# 26 LYS+ QB 27 CYS- HA 5.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 410, 411,
&end
#
# 26 LYS+ QB 27 CYS- H 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 410, 411,
&end
#
# 26 LYS+ H 27 CYS- H 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, 428, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 26 LYS+ QG 27 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= 413, 414,
&end
#
# 26 LYS+ HA 28 GLN H 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, 438, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 26 LYS+ QD 26 LYS+ QE 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 416, 417,
igr2= 419, 420,
&end
#
# 26 LYS+ HG+ 26 LYS+ QD 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 413, 414,
igr2= 416, 417,
&end
#
# 26 LYS+ QB 26 LYS+ QE 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 410, 411,
igr2= 419, 420,
&end
#
# 26 LYS+ HG- 26 LYS+ QD 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 413, 414,
igr2= 416, 417,
&end
#
# 26 LYS+ HA 26 LYS+ QD 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 416, 417,
&end
#
# 26 LYS+ HA 26 LYS+ QE 6.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 419, 420,
&end
#
# 26 LYS+ QB 26 LYS+ QD 5.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 410, 411,
igr2= 416, 417,
&end
#
# 26 LYS+ H 26 LYS+ HG- 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 413, 414,
&end
#
# 26 LYS+ H 26 LYS+ QD 6.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 416, 417,
&end
#
# 26 LYS+ H 26 LYS+ HG+ 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 413, 414,
&end
#
# 26 LYS+ H 26 LYS+ QB 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 410, 411,
&end
#
# 26 LYS+ H 26 LYS+ QG 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 413, 414,
&end
#
# 26 LYS+ QG 26 LYS+ QD 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 413, 414,
igr2= 416, 417,
&end
#
# 26 LYS+ QG 26 LYS+ QE 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 413, 414,
igr2= 419, 420,
&end
#
# 27 CYS- HA 30 ARG+ QD 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 489, 490,
&end
#
# 27 CYS- HA 30 ARG+ QB 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 483, 484,
&end
#
# 27 CYS- HA 30 ARG+ H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 430, 479, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 27 CYS- HA 30 ARG+ QG 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 486, 487,
&end
#
# 27 CYS- QB 30 ARG+ H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 433, 432,
&end
#
# 27 CYS- H 27 CYS- QB 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 433, 432,
&end
#
# 27 CYS- HB+ 28 GLN H 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 433, 432,
&end
#
# 27 CYS- HB- 28 GLN H 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 433, 432,
&end
#
# 27 CYS- H 28 GLN H 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 428, 438, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 27 CYS- QB 28 GLN H 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 433, 432,
&end
#
# 28 GLN HB- 29 ARG+ H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 442, 443,
&end
#
# 28 GLN HB+ 29 ARG+ H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 442, 443,
&end
#
# 28 GLN H 29 ARG+ H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, 455, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 28 GLN QE2 53 ASN QD2 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 450, 451,
igr2= 848, 849,
&end
#
# 28 GLN HB- 28 GLN HE2+ 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 442, 443,
igr2= 450, 451,
&end
#
# 28 GLN HB+ 28 GLN HE2+ 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 442, 443,
igr2= 450, 451,
&end
#
# 28 GLN HB- 28 GLN HE2- 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 442, 443,
igr2= 450, 451,
&end
#
# 28 GLN HB+ 28 GLN HE2- 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 442, 443,
igr2= 450, 451,
&end
#
# 28 GLN H 28 GLN HB+ 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 442, 443,
&end
#
# 28 GLN H 28 GLN HB- 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 442, 443,
&end
#
# 28 GLN H 28 GLN QB 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 442, 443,
&end
#
# 28 GLN H 28 GLN QG 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 445, 446,
&end
#
# 28 GLN HA 28 GLN QG 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 445, 446,
&end
#
# 28 GLN QB 28 GLN QE2 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 442, 443,
igr2= 450, 451,
&end
#
# 28 GLN QG 28 GLN QE2 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 445, 446,
igr2= 450, 451,
&end
#
# 28 GLN QE2 52 LEU QB 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 450, 451,
igr2= 824, 825,
&end
#
# 28 GLN QE2 52 LEU QQD 6.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 450, 451,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 28 GLN QB 49 LYS+ QG 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 442, 443,
igr2= 775, 776,
&end
#
# 28 GLN QB 49 LYS+ QD 5.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 442, 443,
igr2= 778, 779,
&end
#
# 28 GLN QE2 49 LYS+ HA 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 450, 451,
&end
#
# 28 GLN QE2 49 LYS+ QG 5.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 450, 451,
igr2= 775, 776,
&end
#
# 28 GLN QE2 49 LYS+ QD 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 450, 451,
igr2= 778, 779,
&end
#
# 29 ARG+ QB 29 ARG+ HD- 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 459, 460,
igr2= 465, 466,
&end
#
# 29 ARG+ QB 29 ARG HD+ 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 459, 460,
igr2= 465, 466,
&end
#
# 29 ARG+ HA 29 ARG+ HG+ 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 462, 463,
&end
#
# 29 ARG+ HA 29 ARG+ HG- 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 462, 463,
&end
#
# 29 ARG+ H 29 ARG+ QB 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 459, 460,
&end
#
# 29 ARG+ H 30 ARG+ H 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, 479, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 29 ARG+ H 29 ARG+ QG 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 462, 463,
&end
#
# 29 ARG+ HA 29 ARG+ QG 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 462, 463,
&end
#
# 29 ARG+ QB 29 ARG+ QD 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 459, 460,
igr2= 465, 466,
&end
#
# 29 ARG+ QG 32 GLN QB 6.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 462, 463,
igr2= 522, 523,
&end
#
# 29 ARG+ QG 32 GLN QG 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 462, 463,
igr2= 525, 526,
&end
#
# 30 ARG+ QD 33 ALA QB 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 489, 490,
igr2= 539, 540, 541,
&end
#
# 30 ARG+ HA 33 ALA QB 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 539, 540, 541,
&end
#
# 30 ARG+ QB 30 ARG+ HG- 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 483, 484,
igr2= 486, 487,
&end
#
# 30 ARG+ QB 30 ARG+ QD 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 483, 484,
igr2= 489, 490,
&end
#
# 30 ARG+ HG- 30 ARG+ QD 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 486, 487,
igr2= 489, 490,
&end
#
# 30 ARG+ QB 30 ARG+ HG+ 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 483, 484,
igr2= 486, 487,
&end
#
# 30 ARG+ HG+ 30 ARG+ QD 3.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 486, 487,
igr2= 489, 490,
&end
#
# 30 ARG+ HA 30 ARG+ QD 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 489, 490,
&end
#
# 30 ARG+ H 30 ARG+ HG- 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 486, 487,
&end
#
# 30 ARG+ H 30 ARG+ QD 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 489, 490,
&end
#
# 30 ARG+ H 30 ARG+ HG+ 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 486, 487,
&end
#
# 30 ARG+ H 30 ARG+ QB 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 483, 484,
&end
#
# 30 ARG+ QD 38 ARG+ H 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 489, 490,
&end
#
# 30 ARG+ H 30 ARG+ QG 3.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 486, 487,
&end
#
# 30 ARG+ HA 34 ASN H 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 481, 545, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 30 ARG+ QG 31 GLU- H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 486, 487,
&end
#
# 30 ARG+ QG 31 GLU- HA 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 486, 487,
&end
#
# 30 ARG+ HG- 37 VAL QG2 6.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 486, 487,
igr2= 591, 592, 593,
&end
#
# 30 ARG+ QB 37 VAL QG1 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 483, 484,
igr2= 587, 588, 589,
&end
#
# 30 ARG+ QB 37 VAL QG2 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 483, 484,
igr2= 591, 592, 593,
&end
#
# 30 ARG+ HG- 37 VAL QG1 6.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 486, 487,
igr2= 587, 588, 589,
&end
#
# 30 ARG+ HG+ 37 VAL QG1 6.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 486, 487,
igr2= 587, 588, 589,
&end
#
# 30 ARG+ HG+ 37 VAL QG2 6.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 486, 487,
igr2= 591, 592, 593,
&end
#
# 30 ARG+ QB 37 VAL QQG 6.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 483, 484,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 30 ARG+ QG 37 VAL QQG 5.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 486, 487,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 30 ARG+ QD 37 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= 489, 490,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 31 GLU- HA 34 ASN HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 549, 550,
&end
#
# 31 GLU- HA 34 ASN H 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, 545, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 31 GLU- H 32 GLN H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 31 GLU- QG 32 GLN H 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 510, 511,
&end
#
# 31 GLU- QG 32 GLN HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 510, 511,
&end
#
# 31 GLU- HA 31 GLU- HG+ 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 510, 511,
&end
#
# 31 GLU- HA 31 GLU- HG- 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 510, 511,
&end
#
# 31 GLU- HA 31 GLU- QG 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 510, 511,
&end
#
# 31 GLU- QB 31 GLU- QG 3.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 507, 508,
igr2= 510, 511,
&end
#
# 31 GLU- HA 37 VAL QQG 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 31 GLU- QB 37 VAL QQG 5.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 507, 508,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 31 GLU- QG 37 VAL QQG 6.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 510, 511,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 32 GLN HG+ 33 ALA HA 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 525, 526,
&end
#
# 32 GLN HG- 33 ALA HA 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 525, 526,
&end
#
# 32 GLN HB- 33 ALA H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 522, 523,
&end
#
# 32 GLN HB+ 33 ALA H 5.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 522, 523,
&end
#
# 32 GLN HA 33 ALA H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, 535, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 32 GLN H 33 ALA H 3.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 518, 535, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 32 GLN QB 33 ALA H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 522, 523,
&end
#
# 32 GLN HA 32 GLN HG+ 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 525, 526,
&end
#
# 32 GLN HA 32 GLN HG- 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 525, 526,
&end
#
# 32 GLN HB+ 32 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= 522, 523,
igr2= 530, 531,
&end
#
# 32 GLN HB- 32 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= 522, 523,
igr2= 530, 531,
&end
#
# 32 GLN HB+ 32 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= 522, 523,
igr2= 530, 531,
&end
#
# 32 GLN HB- 32 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= 522, 523,
igr2= 530, 531,
&end
#
# 32 GLN H 32 GLN HE2- 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 530, 531,
&end
#
# 32 GLN H 32 GLN QB 3.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 522, 523,
&end
#
# 32 GLN H 32 GLN QG 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 525, 526,
&end
#
# 32 GLN HA 32 GLN QG 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 525, 526,
&end
#
# 32 GLN QB 32 GLN QG 2.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr1= 522, 523,
igr2= 525, 526,
&end
#
# 32 GLN QB 32 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= 522, 523,
igr2= 530, 531,
&end
#
# 32 GLN QG 32 GLN HE2- 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 525, 526,
igr2= 530, 531,
&end
#
# 32 GLN H 37 VAL QQG 7.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 33 ALA H 33 ALA QB 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 539, 540, 541,
&end
#
# 33 ALA QB 34 ASN H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 539, 540, 541,
&end
#
# 33 ALA H 34 ASN H 3.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 535, 545, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 33 ALA QB 37 VAL QQG 9.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4= 10.21,
igr1= 539, 540, 541,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 34 ASN H 34 ASN HD2+ 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 554, 555,
&end
#
# 34 ASN HB- 34 ASN HD2- 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 549, 550,
igr2= 554, 555,
&end
#
# 34 ASN HA 34 ASN HD2- 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 554, 555,
&end
#
# 34 ASN H 34 ASN HD2- 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 554, 555,
&end
#
# 34 ASN HB- 34 ASN HD2+ 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 549, 550,
igr2= 554, 555,
&end
#
# 34 ASN H 34 ASN HB- 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 549, 550,
&end
#
# 34 ASN HB- 35 GLY H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 549, 550,
&end
#
# 34 ASN H 35 GLY H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 545, 559, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 35 GLY QA 36 GLU- H 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 561, 562,
&end
#
# 35 GLY H 36 GLU- H 3.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, 566, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 35 GLY H 35 GLY QA 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 561, 562,
&end
#
# 36 GLU- HA 36 GLU- HG+ 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 573, 574,
&end
#
# 36 GLU- HA 36 GLU- HG- 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 573, 574,
&end
#
# 36 GLU- H 36 GLU- HG- 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 573, 574,
&end
#
# 36 GLU- H 36 GLU- HG+ 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 573, 574,
&end
#
# 36 GLU- H 36 GLU- QB 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 570, 571,
&end
#
# 36 GLU- H 36 GLU- QG 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 573, 574,
&end
#
# 36 GLU- HA 36 GLU- QG 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 573, 574,
&end
#
# 36 GLU- HA 37 VAL H 3.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 568, 581, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 36 GLU- H 37 VAL H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 566, 581, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 37 VAL HB 38 ARG+ H 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 585, 597, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 37 VAL HA 38 ARG+ H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, 597, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 VAL QQG 38 ARG+ H 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 587, 588, 589, 591, 592, 593,
&end
#
# 37 VAL H 37 VAL HB 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, 585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 37 VAL H 37 VAL QQG 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 37 VAL HA 37 VAL QQG 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 587, 588, 589, 591, 592, 593,
&end
#
# 38 ARG+ QD 39 ALA QB 5.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 607, 608,
igr2= 625, 626, 627,
&end
#
# 38 ARG+ HB+ 39 ALA H 3.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 601, 602,
&end
#
# 38 ARG+ QG 39 ALA H 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 604, 605,
&end
#
# 38 ARG+ HA 39 ALA H 2.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 599, 621, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 38 ARG+ QG 38 ARG+ QD 3.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 604, 605,
igr2= 607, 608,
&end
#
# 38 ARG+ HB+ 38 ARG+ QD 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 601, 602,
igr2= 607, 608,
&end
#
# 38 ARG+ HB- 38 ARG+ QD 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 601, 602,
igr2= 607, 608,
&end
#
# 38 ARG+ HA 38 ARG+ QD 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 607, 608,
&end
#
# 38 ARG+ HA 38 ARG+ QG 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 604, 605,
&end
#
# 38 ARG+ H 38 ARG+ HB+ 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr2= 601, 602,
&end
#
# 38 ARG+ H 38 ARG+ QD 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 607, 608,
&end
#
# 38 ARG+ H 38 ARG+ QG 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 604, 605,
&end
#
# 38 ARG+ H 38 ARG+ HB- 3.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr2= 601, 602,
&end
#
# 38 ARG+ H 38 ARG+ QB 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 601, 602,
&end
#
# 38 ARG+ QB 38 ARG+ QD 3.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 601, 602,
igr2= 607, 608,
&end
#
# 39 ALA H 39 ALA QB 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 625, 626, 627,
&end
#
# 39 ALA QB 40 CYS- H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 625, 626, 627,
&end
#
# 39 ALA HA 40 CYS- H 3.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 623, 631, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 40 CYS- H 40 CYS- QB 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 636, 635,
&end
#
# 40 CYS- H 41 SER H 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 631, 641, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 42 LEU QB 45 CYSZ HA 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 656, 657,
&end
#
# 42 LEU QB 45 CYSZ HB+ 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 656, 657,
igr2= 708, 707,
&end
#
# 42 LEU QB 45 CYSZ HB- 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 656, 657,
igr2= 708, 707,
&end
#
# 42 LEU QB 42 LEU QQD 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 656, 657,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 42 LEU QB 42 LEU QQD 5.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 656, 657,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 42 LEU HA 42 LEU QQD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 42 LEU HA 42 LEU QQD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 42 LEU HA 42 LEU QQD 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 43 PRO HD- 42 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 672, 673,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 43 PRO HD- 42 LEU QQD 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 672, 673,
igr2= 661, 662, 663, 665, 666, 667,
&end
#
# 44 HIS HA 44 HIS HD2 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 45 CYSZ HA 48 MET H 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 705, 751, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 45 CYSZ HA 48 MET QB 5.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 755, 756,
&end
#
# 46 ARG+ QB 46 ARG+ QG 3.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 717, 718,
igr2= 720, 721,
&end
#
# 46 ARG+ HA 46 ARG+ QG 4.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 720, 721,
&end
#
# 46 ARG+ H 46 ARG+ HD- 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 723, 724,
&end
#
# 46 ARG+ H 46 ARG HD+ 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 723, 724,
&end
#
# 46 ARG+ H 46 ARG+ QD 4.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 723, 724,
&end
#
# 46 ARG+ HA 46 ARG+ QD 5.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 723, 724,
&end
#
# 46 ARG+ QB 50 ASN HD2+ 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 717, 718,
igr2= 799, 800,
&end
#
# 46 ARG+ QB 50 ASN HD2- 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 717, 718,
igr2= 799, 800,
&end
#
# 46 ARG+ H 48 MET H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 713, 751, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 ARG+ H 47 THR H 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 713, 737, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 47 THR HA 50 ASN HD2+ 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 799, 800,
&end
#
# 47 THR HA 50 ASN HD2- 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 799, 800,
&end
#
# 47 THR HA 50 ASN QB 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 794, 795,
&end
#
# 47 THR HA 50 ASN QD2 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 799, 800,
&end
#
# 47 THR QG2 50 ASN QD2 6.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 743, 744, 745,
igr2= 799, 800,
&end
#
# 47 THR QG2 50 ASN HB- 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 743, 744, 745,
igr2= 794, 795,
&end
#
# 47 THR QG2 50 ASN HB+ 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 743, 744, 745,
igr2= 794, 795,
&end
#
# 47 THR QG2 68 HIS HD2 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 743, 744, 745,
&end
#
# 47 THR QG2 48 MET HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 743, 744, 745,
&end
#
# 47 THR HA 47 THR QG2 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 743, 744, 745,
&end
#
# 47 THR H 47 THR QG2 6.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 743, 744, 745,
&end
#
# 47 THR HA 51 VAL H 5.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 739, 804, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 48 MET H 50 ASN H 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 751, 790, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 MET QE 68 HIS HD2 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 762, 763, 764,
&end
#
# 48 MET QE 68 HIS HE1 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1058, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 762, 763, 764,
&end
#
# 48 MET QE 68 HIS HB- 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 762, 763, 764,
igr2= 1052, 1053,
&end
#
# 48 MET QE 68 HIS HA 5.67 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1050, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 762, 763, 764,
&end
#
# 48 MET QE 68 HIS HB+ 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 762, 763, 764,
igr2= 1052, 1053,
&end
#
# 48 MET QE 68 HIS QB 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 762, 763, 764,
igr2= 1052, 1053,
&end
#
# 48 MET HA 52 LEU H 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 753, 820, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 48 MET QB 52 LEU QQD 7.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 755, 756,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 48 MET QE 52 LEU QQD 6.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 762, 763, 764,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 48 MET QE 21 LEU HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 762, 763, 764,
&end
#
# 48 MET H 49 LYS+ H 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 751, 768, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 48 MET HB+ 48 MET QE 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 755, 756,
igr2= 762, 763, 764,
&end
#
# 48 MET HG+ 48 MET QE 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 758, 759,
igr2= 762, 763, 764,
&end
#
# 48 MET HB- 48 MET QE 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 755, 756,
igr2= 762, 763, 764,
&end
#
# 48 MET HG- 48 MET QE 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 758, 759,
igr2= 762, 763, 764,
&end
#
# 48 MET HA 48 MET QE 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 762, 763, 764,
&end
#
# 48 MET H 48 MET QE 5.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 762, 763, 764,
&end
#
# 48 MET QB 48 MET QE 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 755, 756,
igr2= 762, 763, 764,
&end
#
# 48 MET QE 51 VAL QG2 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 762, 763, 764,
igr2= 814, 815, 816,
&end
#
# 48 MET QE 51 VAL QG1 4.38 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 762, 763, 764,
igr2= 810, 811, 812,
&end
#
# 48 MET QE 51 VAL HB 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 762, 763, 764,
&end
#
# 48 MET HA 51 VAL QG2 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 814, 815, 816,
&end
#
# 48 MET HA 51 VAL QG1 5.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 810, 811, 812,
&end
#
# 48 MET HA 51 VAL HB 3.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 753, 808, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 48 MET HA 51 VAL H 3.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 753, 804, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 48 MET HA 51 VAL QQG 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 810, 811, 812, 814, 815, 816,
&end
#
# 48 MET QB 51 VAL HB 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 755, 756,
&end
#
# 48 MET QB 51 VAL QQG 7.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 755, 756,
igr2= 810, 811, 812, 814, 815, 816,
&end
#
# 49 LYS+ H 50 ASN H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, 790, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 49 LYS+ QD 50 ASN H 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 778, 779,
&end
#
# 49 LYS+ HA 53 ASN H 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, 839, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 49 LYS+ H 50 ASN QB 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 794, 795,
&end
#
# 49 LYS+ HA 52 LEU QQD 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 49 LYS+ HA 52 LEU HB+ 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 824, 825,
&end
#
# 49 LYS+ HA 52 LEU HB- 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 824, 825,
&end
#
# 49 LYS+ QD 52 LEU HG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 778, 779,
&end
#
# 49 LYS+ HA 52 LEU QQD 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 49 LYS+ HA 52 LEU HG 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, 827, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 49 LYS+ HA 52 LEU H 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, 820, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 49 LYS+ HA 52 LEU QB 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 824, 825,
&end
#
# 49 LYS+ HA 52 LEU QQD 4.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 49 LYS+ QD 52 LEU QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 778, 779,
igr2= 824, 825,
&end
#
# 49 LYS+ HA 49 LYS+ HE- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 781, 782,
&end
#
# 49 LYS+ HA 49 LYS+ HE+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 781, 782,
&end
#
# 49 LYS+ HA 49 LYS+ QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 778, 779,
&end
#
# 49 LYS+ H 49 LYS+ HB+ 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 772, 773,
&end
#
# 49 LYS+ H 49 LYS+ HB- 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 772, 773,
&end
#
# 49 LYS+ H 49 LYS+ QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 778, 779,
&end
#
# 49 LYS+ H 49 LYS+ QB 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 772, 773,
&end
#
# 49 LYS+ H 49 LYS+ QG 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 775, 776,
&end
#
# 49 LYS+ QG 49 LYS+ QE 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 775, 776,
igr2= 781, 782,
&end
#
# 49 LYS+ H 51 VAL H 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 768, 804, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 50 ASN HA 53 ASN QB 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 843, 844,
&end
#
# 50 ASN H 50 ASN HB+ 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 794, 795,
&end
#
# 50 ASN H 50 ASN HB- 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 794, 795,
&end
#
# 50 ASN HA 53 ASN H 3.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 792, 839, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 50 ASN H 50 ASN QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 794, 795,
&end
#
# 50 ASN H 50 ASN QD2 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 799, 800,
&end
#
# 50 ASN HA 50 ASN QD2 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 799, 800,
&end
#
# 50 ASN HA 53 ASN QD2 3.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 848, 849,
&end
#
# 50 ASN QB 50 ASN QD2 3.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 794, 795,
igr2= 799, 800,
&end
#
# 50 ASN HA 54 HIS H 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 792, 853, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 50 ASN HA 52 LEU H 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 792, 820, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 50 ASN HB+ 51 VAL H 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 794, 795,
&end
#
# 50 ASN HB- 51 VAL H 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 794, 795,
&end
#
# 50 ASN QB 51 VAL H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 794, 795,
&end
#
# 51 VAL H 53 ASN H 4.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 804, 839, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 51 VAL QQG 69 CYSZ H 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1066, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL QQG 69 CYSZ HA 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1068, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL HA 54 HIS HB- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 857, 858,
&end
#
# 51 VAL QG2 54 HIS HD2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 814, 815, 816,
&end
#
# 51 VAL QG2 68 HIS HD2 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 814, 815, 816,
&end
#
# 51 VAL QG2 68 HIS HB- 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 814, 815, 816,
igr2= 1052, 1053,
&end
#
# 51 VAL QG2 68 HIS HB+ 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 814, 815, 816,
igr2= 1052, 1053,
&end
#
# 51 VAL QG1 54 HIS HD2 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 810, 811, 812,
&end
#
# 51 VAL QG1 68 HIS HD2 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 810, 811, 812,
&end
#
# 51 VAL QG1 68 HIS HB- 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 810, 811, 812,
igr2= 1052, 1053,
&end
#
# 51 VAL QG1 68 HIS HB+ 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 810, 811, 812,
igr2= 1052, 1053,
&end
#
# 51 VAL HA 54 HIS HD2 5.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, 866, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 51 VAL HA 54 HIS HB+ 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 857, 858,
&end
#
# 51 VAL HA 54 HIS H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, 853, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 51 VAL HA 54 HIS QB 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 857, 858,
&end
#
# 51 VAL QQG 54 HIS HD2 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL QQG 68 HIS HA 5.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1050, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL QQG 68 HIS QB 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 810, 811, 812, 814, 815, 816,
igr2= 1052, 1053,
&end
#
# 51 VAL QQG 68 HIS HD2 4.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1062, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL QQG 68 HIS HE1 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1058, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL HB 52 LEU H 3.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 808, 820, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 51 VAL H 52 LEU H 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 51 VAL QQG 52 LEU H 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL QQG 55 MET QG 6.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 810, 811, 812, 814, 815, 816,
igr2= 877, 878,
&end
#
# 51 VAL QQG 55 MET QE 6.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 810, 811, 812, 814, 815, 816,
igr2= 881, 882, 883,
&end
#
# 51 VAL HA 51 VAL QG2 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 814, 815, 816,
&end
#
# 51 VAL HA 51 VAL QG1 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 810, 811, 812,
&end
#
# 51 VAL H 51 VAL QG2 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 814, 815, 816,
&end
#
# 51 VAL H 51 VAL QG1 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 810, 811, 812,
&end
#
# 51 VAL H 51 VAL HB 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 51 VAL H 51 VAL QQG 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 810, 811, 812, 814, 815, 816,
&end
#
# 51 VAL HA 66 VAL QQG 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 51 VAL QQG 66 VAL QQG 7.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 810, 811, 812, 814, 815, 816,
igr2= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 52 LEU H 53 ASN QB 5.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 843, 844,
&end
#
# 52 LEU HG 53 ASN H 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827, 839, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 52 LEU H 53 ASN H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, 839, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 52 LEU QB 53 ASN H 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 824, 825,
&end
#
# 52 LEU HA 52 LEU QQD 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 52 LEU HA 52 LEU QQD 5.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 52 LEU H 52 LEU HB+ 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 824, 825,
&end
#
# 52 LEU H 52 LEU HB- 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 824, 825,
&end
#
# 52 LEU H 52 LEU HG 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 52 LEU H 52 LEU QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 824, 825,
&end
#
# 52 LEU H 52 LEU QQD 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 52 LEU HA 52 LEU QQD 4.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 829, 830, 831, 833, 834, 835,
&end
#
# 52 LEU HA 55 MET HB+ 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 874, 875,
&end
#
# 52 LEU HA 55 MET HB- 4.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 874, 875,
&end
#
# 52 LEU HA 55 MET H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LEU HA 55 MET QB 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 874, 875,
&end
#
# 52 LEU QB 55 MET QE 6.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 824, 825,
igr2= 881, 882, 883,
&end
#
# 52 LEU QQD 55 MET QE 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 829, 830, 831, 833, 834, 835,
igr2= 881, 882, 883,
&end
#
# 53 ASN QB 53 ASN HD2+ 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 843, 844,
igr2= 848, 849,
&end
#
# 53 ASN HA 53 ASN HD2+ 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 848, 849,
&end
#
# 53 ASN QB 53 ASN HD2- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 843, 844,
igr2= 848, 849,
&end
#
# 53 ASN HA 53 ASN HD2- 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 848, 849,
&end
#
# 53 ASN H 53 ASN QB 3.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 843, 844,
&end
#
# 53 ASN H 53 ASN QD2 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 848, 849,
&end
#
# 53 ASN HA 53 ASN QD2 4.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 848, 849,
&end
#
# 53 ASN QB 53 ASN QD2 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 843, 844,
igr2= 848, 849,
&end
#
# 53 ASN QB 54 HIS HA 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 843, 844,
&end
#
# 53 ASN QB 54 HIS H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 843, 844,
&end
#
# 53 ASN H 54 HIS H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 839, 853, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 53 ASN HA 56 THR HB 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 841, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN QB 56 THR QG2 6.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 843, 844,
igr2= 893, 894, 895,
&end
#
# 53 ASN HA 56 THR QG2 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 893, 894, 895,
&end
#
# 53 ASN HA 56 THR H 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 841, 887, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 53 ASN H 56 THR H 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= 839, 887, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 54 HIS HD2 69 CYSZ HB- 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 1071, 1070,
&end
#
# 54 HIS HD2 69 CYSZ HB+ 4.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 1071, 1070,
&end
#
# 54 HIS HD2 69 CYSZ HA 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, 1068, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 54 HIS HD2 69 CYSZ H 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, 1066, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 54 HIS HD2 69 CYSZ QB 4.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 1071, 1070,
&end
#
# 54 HIS HA 54 HIS HD2 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 855, 866, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 54 HIS H 54 HIS HB- 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 857, 858,
&end
#
# 54 HIS H 54 HIS HB+ 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 857, 858,
&end
#
# 54 HIS HD2 55 MET HG- 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 877, 878,
&end
#
# 54 HIS HD2 55 MET HG+ 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 877, 878,
&end
#
# 54 HIS HD2 55 MET HA 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, 872, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 54 HIS HB- 55 MET H 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 857, 858,
&end
#
# 54 HIS HB+ 55 MET H 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 857, 858,
&end
#
# 54 HIS H 55 MET H 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 853, 870, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 54 HIS QB 55 MET H 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 857, 858,
&end
#
# 54 HIS H 56 THR H 4.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 853, 887, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 54 HIS QB 56 THR H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 857, 858,
&end
#
# 54 HIS HD2 66 VAL QG1 5.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 1028, 1029, 1030,
&end
#
# 54 HIS HD2 66 VAL QG2 5.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 1032, 1033, 1034,
&end
#
# 54 HIS HD2 66 VAL QQG 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 54 HIS HE1 66 VAL QQG 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 55 MET QE 73 ARG+ HA 6.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1110, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 881, 882, 883,
&end
#
# 55 MET H 58 CYS- H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 MET HA 58 CYS- H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 872, 919, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 55 MET HA 58 CYS- QB 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 924, 923,
&end
#
# 55 MET HA 57 HIS H 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 872, 901, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 55 MET QE 76 ILE QD1 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 881, 882, 883,
igr2= 1181, 1182, 1183,
&end
#
# 55 MET HB+ 55 MET QE 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 874, 875,
igr2= 881, 882, 883,
&end
#
# 55 MET HB- 55 MET QE 4.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 874, 875,
igr2= 881, 882, 883,
&end
#
# 55 MET HG- 55 MET QE 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 877, 878,
igr2= 881, 882, 883,
&end
#
# 55 MET HG+ 55 MET QE 5.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 877, 878,
igr2= 881, 882, 883,
&end
#
# 55 MET HA 55 MET QE 5.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 881, 882, 883,
&end
#
# 55 MET H 55 MET HB+ 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 874, 875,
&end
#
# 55 MET H 55 MET QE 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 881, 882, 883,
&end
#
# 55 MET H 55 MET HG- 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 877, 878,
&end
#
# 55 MET H 55 MET HB- 3.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 874, 875,
&end
#
# 55 MET H 55 MET HG+ 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 877, 878,
&end
#
# 55 MET H 55 MET QB 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 874, 875,
&end
#
# 55 MET QB 55 MET QE 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 874, 875,
igr2= 881, 882, 883,
&end
#
# 55 MET QE 72 SER QB 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 881, 882, 883,
igr2= 1101, 1102,
&end
#
# 55 MET HB+ 56 THR H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 874, 875,
&end
#
# 55 MET HB- 56 THR H 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 874, 875,
&end
#
# 55 MET H 56 THR H 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 870, 887, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 55 MET QG 56 THR H 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 877, 878,
&end
#
# 56 THR QG2 58 CYS- H 7.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 893, 894, 895,
&end
#
# 56 THR HA 58 CYS- H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 889, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 THR H 58 CYS- H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 THR QG2 57 HIS H 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 893, 894, 895,
&end
#
# 56 THR HB 57 HIS H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 THR H 57 HIS H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, 901, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 56 THR HB 57 HIS HE1 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 891, 911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 THR QG2 57 HIS HE1 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 893, 894, 895,
&end
#
# 56 THR HA 56 THR HB 2.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 56 THR HA 56 THR QG2 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 893, 894, 895,
&end
#
# 56 THR H 56 THR HB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 THR H 56 THR QG2 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 893, 894, 895,
&end
#
# 57 HIS HB+ 58 CYS- H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 905, 906,
&end
#
# 57 HIS HB- 58 CYS- H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 905, 906,
&end
#
# 57 HIS HA 58 CYS- H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 903, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 HIS H 58 CYS- H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 901, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 HIS QB 58 CYS- H 4.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 905, 906,
&end
#
# 57 HIS HA 57 HIS HD2 5.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 57 HIS H 57 HIS HB+ 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 905, 906,
&end
#
# 57 HIS H 57 HIS HB- 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 905, 906,
&end
#
# 57 HIS H 57 HIS QB 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 905, 906,
&end
#
# 57 HIS HD2 57 HIS HB- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 905, 906,
&end
#
# 57 HIS HD2 57 HIS HB+ 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 905, 906,
&end
#
# 57 HIS HD2 57 HIS HA 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 915, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 HIS HD2 57 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 915, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 HIS HE1 57 HIS HB- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 905, 906,
&end
#
# 57 HIS HE1 57 HIS HB+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 905, 906,
&end
#
# 58 CYS- H 58 CYS- QB 3.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 924, 923,
&end
#
# 58 CYS- HA 59 GLN H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 921, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 CYS- H 59 GLN H 5.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 919, 929, r1= 3.50, r2= 4.00, r3= 5.35, r4= 5.85, &end
#
# 59 GLN H 60 ALA H 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 929, 946, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 59 GLN QB 60 ALA H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 933, 934,
&end
#
# 59 GLN HA 59 GLN QG 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 936, 937,
&end
#
# 59 GLN QB 59 GLN QE2 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 933, 934,
igr2= 941, 942,
&end
#
# 59 GLN QG 59 GLN QE2 4.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 936, 937,
igr2= 941, 942,
&end
#
# 60 ALA H 60 ALA QB 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 950, 951, 952,
&end
#
# 60 ALA QB 63 ALA H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 950, 951, 952,
&end
#
# 60 ALA H 61 GLY H 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 946, 956, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 ALA QB 61 GLY H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 950, 951, 952,
&end
#
# 60 ALA HA 61 GLY H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 948, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLY H 62 LYS+ H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 956, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS+ HA 63 ALA H 3.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= 965, 985, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 62 LYS+ QB 63 ALA H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 967, 968,
&end
#
# 62 LYS+ H 63 ALA H 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 62 LYS+ H 64 CYS- H 4.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, 995, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 62 LYS+ QB 65 GLN HE2- 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 967, 968,
igr2= 1017, 1018,
&end
#
# 62 LYS+ QB 62 LYS+ QE 6.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 967, 968,
igr2= 976, 977,
&end
#
# 62 LYS+ QG 62 LYS+ QE 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 970, 971,
igr2= 976, 977,
&end
#
# 62 LYS+ HA 62 LYS+ QE 6.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 976, 977,
&end
#
# 62 LYS+ QG 62 LYS+ QD 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 970, 971,
igr2= 973, 974,
&end
#
# 62 LYS+ QB 62 LYS+ QG 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 967, 968,
igr2= 970, 971,
&end
#
# 62 LYS+ QB 62 LYS+ QD 5.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 967, 968,
igr2= 973, 974,
&end
#
# 62 LYS+ QD 62 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= 973, 974,
igr2= 976, 977,
&end
#
# 62 LYS+ HA 62 LYS+ QG 3.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 970, 971,
&end
#
# 62 LYS+ HA 62 LYS+ QD 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 973, 974,
&end
#
# 62 LYS+ H 62 LYS+ QG 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 970, 971,
&end
#
# 63 ALA H 63 ALA QB 3.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 989, 990, 991,
&end
#
# 63 ALA QB 64 CYS- H 4.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 989, 990, 991,
&end
#
# 63 ALA H 64 CYS- H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 985, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 ALA QB 65 GLN HE2+ 6.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 989, 990, 991,
igr2= 1017, 1018,
&end
#
# 63 ALA QB 65 GLN HE2- 5.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 989, 990, 991,
igr2= 1017, 1018,
&end
#
# 63 ALA HA 65 GLN HE2- 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 1017, 1018,
&end
#
# 63 ALA QB 65 GLN QG 6.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 989, 990, 991,
igr2= 1012, 1013,
&end
#
# 64 CYS- H 64 CYS- HB- 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 1000, 999,
&end
#
# 64 CYS- H 64 CYS- HB+ 3.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 1000, 999,
&end
#
# 64 CYS- HA 65 GLN HA 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 997, 1007, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 64 CYS- HB- 65 GLN H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1000, 999,
&end
#
# 64 CYS- HB+ 65 GLN H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1000, 999,
&end
#
# 64 CYS- HA 65 GLN H 2.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= 997, 1005, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 64 CYS- H 65 GLN H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 995, 1005, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 64 CYS- QB 65 GLN H 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1005, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 1000, 999,
&end
#
# 64 CYS- HA 66 VAL QQG 5.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 65 GLN HA 65 GLN HG- 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1007, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 1012, 1013,
&end
#
# 65 GLN HA 65 GLN HG+ 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1007, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 1012, 1013,
&end
#
# 65 GLN H 65 GLN HE2- 4.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1005, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 1017, 1018,
&end
#
# 65 GLN H 65 GLN QB 3.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1005, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 1009, 1010,
&end
#
# 65 GLN H 65 GLN QG 3.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1005, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 1012, 1013,
&end
#
# 65 GLN HA 65 GLN QG 3.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1007, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 1012, 1013,
&end
#
# 65 GLN H 66 VAL H 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1005, 1022, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 65 GLN QG 66 VAL H 5.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1022, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 1012, 1013,
&end
#
# 66 VAL QG1 67 ALA HA 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1028, 1029, 1030,
&end
#
# 66 VAL H 67 ALA H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, 1038, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 66 VAL H 70 ALA H 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, 1076, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 66 VAL QG1 67 ALA H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1038, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1028, 1029, 1030,
&end
#
# 66 VAL QG2 67 ALA H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1038, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1032, 1033, 1034,
&end
#
# 66 VAL HB 67 ALA H 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1026, 1038, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 66 VAL HA 67 ALA H 3.01 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1024, 1038, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 66 VAL QQG 67 ALA H 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1038, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 66 VAL QQG 67 ALA HA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1040, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 66 VAL QQG 67 ALA QB 8.09 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 1028, 1029, 1030, 1032, 1033, 1034,
igr2= 1042, 1043, 1044,
&end
#
# 66 VAL HB 69 CYSZ HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1026, 1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 VAL QG1 69 CYSZ HB- 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 1028, 1029, 1030,
igr2= 1071, 1070,
&end
#
# 66 VAL QG1 69 CYSZ HB+ 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 1028, 1029, 1030,
igr2= 1071, 1070,
&end
#
# 66 VAL QG2 69 CYSZ HB- 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 1032, 1033, 1034,
igr2= 1071, 1070,
&end
#
# 66 VAL QG2 69 CYSZ HB+ 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 1032, 1033, 1034,
igr2= 1071, 1070,
&end
#
# 66 VAL HB 69 CYSZ H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1026, 1066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 66 VAL H 69 CYSZ H 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, 1066, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 66 VAL H 69 CYSZ QB 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 1071, 1070,
&end
#
# 66 VAL HB 69 CYSZ QB 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1026, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 1071, 1070,
&end
#
# 66 VAL QQG 69 CYSZ H 5.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1066, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 66 VAL QQG 69 CYSZ HA 7.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1068, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 66 VAL QQG 69 CYSZ QB 5.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 1028, 1029, 1030, 1032, 1033, 1034,
igr2= 1071, 1070,
&end
#
# 66 VAL QQG 68 HIS QB 6.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 1028, 1029, 1030, 1032, 1033, 1034,
igr2= 1052, 1053,
&end
#
# 66 VAL HA 66 VAL QG1 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1024, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 1028, 1029, 1030,
&end
#
# 66 VAL HA 66 VAL QG2 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1024, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 1032, 1033, 1034,
&end
#
# 66 VAL H 66 VAL QG1 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 1028, 1029, 1030,
&end
#
# 66 VAL H 66 VAL QG2 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 1032, 1033, 1034,
&end
#
# 66 VAL H 66 VAL HB 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, 1026, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 66 VAL H 66 VAL QQG 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1022, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 66 VAL HA 66 VAL QQG 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1024, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 1028, 1029, 1030, 1032, 1033, 1034,
&end
#
# 67 ALA H 67 ALA QB 3.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1038, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 1042, 1043, 1044,
&end
#
# 67 ALA QB 68 HIS H 4.13 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1048, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 1042, 1043, 1044,
&end
#
# 67 ALA H 68 HIS H 3.81 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1038, 1048, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 68 HIS HA 71 SER H 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1050, 1086, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 68 HIS H 71 SER H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1048, 1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 HIS H 69 CYSZ H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1048, 1066, r1= 2.30, r2= 2.80, r3= 4.00, r4= 4.50, &end
#
# 69 CYSZ H 70 ALA H 3.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1076, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 69 CYSZ HB- 70 ALA H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1076, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 1071, 1070,
&end
#
# 69 CYSZ HB+ 70 ALA H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1076, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 1071, 1070,
&end
#
# 69 CYSZ QB 70 ALA H 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1076, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 1071, 1070,
&end
#
# 69 CYSZ QB 70 ALA HA 5.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1078, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 1071, 1070,
&end
#
# 69 CYSZ QB 70 ALA QB 6.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 1071, 1070,
igr2= 1080, 1081, 1082,
&end
#
# 69 CYSZ H 69 CYSZ HB- 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 1071, 1070,
&end
#
# 69 CYSZ H 69 CYSZ HB+ 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 1071, 1070,
&end
#
# 69 CYSZ H 69 CYSZ QB 3.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 1071, 1070,
&end
#
# 69 CYSZ H 72 SER H 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1097, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 69 CYSZ H 71 SER H 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1066, 1086, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 69 CYSZ HA 72 SER H 4.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1068, 1097, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 70 ALA H 70 ALA QB 3.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 1080, 1081, 1082,
&end
#
# 70 ALA HA 73 ARG+ QG 5.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 1115, 1116,
&end
#
# 70 ALA HA 73 ARG+ HB- 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 1112, 1113,
&end
#
# 70 ALA HA 73 ARG+ HB+ 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 1112, 1113,
&end
#
# 70 ALA HA 73 ARG+ H 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, 1108, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 70 ALA HA 73 ARG+ QB 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 1112, 1113,
&end
#
# 70 ALA HA 73 ARG+ QD 5.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1078, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 1118, 1119,
&end
#
# 70 ALA QB 73 ARG+ QB 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 1080, 1081, 1082,
igr2= 1112, 1113,
&end
#
# 70 ALA QB 71 SER H 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1086, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 1080, 1081, 1082,
&end
#
# 70 ALA H 71 SER H 3.46 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, 1086, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 70 ALA H 72 SER H 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1076, 1097, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 71 SER HA 74 GLN H 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1088, 1132, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 71 SER H 71 SER QB 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1086, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 1090, 1091,
&end
#
# 71 SER H 72 SER H 3.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1086, 1097, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 72 SER HB- 73 ARG+ H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1108, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1101, 1102,
&end
#
# 72 SER HB+ 73 ARG+ H 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1108, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 1101, 1102,
&end
#
# 72 SER H 73 ARG+ H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, 1108, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 SER QB 73 ARG+ H 4.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1108, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 1101, 1102,
&end
#
# 72 SER H 74 GLN H 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1097, 1132, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 72 SER HA 75 ILE QD1 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1099, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 1162, 1163, 1164,
&end
#
# 72 SER HA 75 ILE H 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1099, 1149, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 73 ARG+ HA 73 ARG HD+ 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 1118, 1119,
&end
#
# 73 ARG+ HA 73 ARG+ HD- 5.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 1118, 1119,
&end
#
# 73 ARG+ H 73 ARG+ QG 4.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1108, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 1115, 1116,
&end
#
# 73 ARG+ H 73 ARG+ HB- 3.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1108, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 1112, 1113,
&end
#
# 73 ARG+ H 73 ARG+ HB+ 3.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1108, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 1112, 1113,
&end
#
# 73 ARG+ H 73 ARG+ HD- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1108, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1118, 1119,
&end
#
# 73 ARG+ H 73 ARG HD+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1108, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1118, 1119,
&end
#
# 73 ARG+ H 73 ARG+ QB 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1108, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 1112, 1113,
&end
#
# 73 ARG+ HA 73 ARG+ QD 5.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 1118, 1119,
&end
#
# 73 ARG+ QB 73 ARG+ QD 3.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 1112, 1113,
igr2= 1118, 1119,
&end
#
# 73 ARG+ H 74 GLN H 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1108, 1132, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 73 ARG+ QB 74 GLN H 3.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1132, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 1112, 1113,
&end
#
# 73 ARG+ QB 74 GLN HA 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1134, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 1112, 1113,
&end
#
# 73 ARG+ QG 76 ILE QG2 7.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 1115, 1116,
igr2= 1174, 1175, 1176,
&end
#
# 73 ARG+ QG 76 ILE HG13 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1115, 1116,
&end
#
# 73 ARG+ HA 76 ILE QG2 5.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 1174, 1175, 1176,
&end
#
# 73 ARG+ HA 76 ILE HB 4.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, 1172, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 73 ARG+ HA 76 ILE QD1 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1181, 1182, 1183,
&end
#
# 73 ARG+ HA 77 SER H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1110, 1187, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 74 GLN H 74 GLN QB 3.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1132, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 1136, 1137,
&end
#
# 74 GLN H 74 GLN QG 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1132, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1139, 1140,
&end
#
# 74 GLN HA 74 GLN QG 4.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1134, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 1139, 1140,
&end
#
# 74 GLN HA 74 GLN QE2 4.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1134, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 1144, 1145,
&end
#
# 74 GLN QB 74 GLN QE2 4.98 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 1136, 1137,
igr2= 1144, 1145,
&end
#
# 74 GLN H 75 ILE H 3.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1132, 1149, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 74 GLN QB 75 ILE H 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1149, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 1136, 1137,
&end
#
# 75 ILE QG2 78 HIS H 6.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1198, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 1155, 1156, 1157,
&end
#
# 75 ILE QG2 78 HIS QB 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 1155, 1156, 1157,
igr2= 1202, 1203,
&end
#
# 75 ILE HA 75 ILE QG2 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1151, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 1155, 1156, 1157,
&end
#
# 75 ILE HB 75 ILE QD1 4.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1153, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 1162, 1163, 1164,
&end
#
# 75 ILE QG2 75 ILE QD1 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 1155, 1156, 1157,
igr2= 1162, 1163, 1164,
&end
#
# 75 ILE HA 75 ILE QD1 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1151, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1162, 1163, 1164,
&end
#
# 75 ILE QG2 76 ILE HA 5.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1170, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 1155, 1156, 1157,
&end
#
# 75 ILE QG2 76 ILE H 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1168, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 1155, 1156, 1157,
&end
#
# 75 ILE H 76 ILE H 4.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1149, 1168, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 75 ILE H 75 ILE HB 3.90 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1149, 1153, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 75 ILE H 75 ILE QG2 5.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1149, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 1155, 1156, 1157,
&end
#
# 75 ILE H 75 ILE QD1 4.92 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1149, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1162, 1163, 1164,
&end
#
# 75 ILE H 75 ILE QG1 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1149, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 1159, 1160,
&end
#
# 75 ILE QG2 77 SER H 6.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1187, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 1155, 1156, 1157,
&end
#
# 75 ILE QG2 79 TRP H 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1215, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 1155, 1156, 1157,
&end
#
# 76 ILE QG2 78 HIS H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1174, 1175, 1176,
&end
#
# 76 ILE HG12 25 HIS HE1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1178, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ILE HA 76 ILE QD1 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 1181, 1182, 1183,
&end
#
# 76 ILE QG2 76 ILE QD1 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 1174, 1175, 1176,
igr2= 1181, 1182, 1183,
&end
#
# 76 ILE HA 76 ILE QG2 4.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 1174, 1175, 1176,
&end
#
# 76 ILE HB 76 ILE QD1 4.54 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1172, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 1181, 1182, 1183,
&end
#
# 76 ILE HA 76 ILE HG12 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, 1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 76 ILE H 76 ILE HG13 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1168, 1179, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 76 ILE H 76 ILE HB 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1168, 1172, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 76 ILE H 76 ILE HG12 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1168, 1178, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 76 ILE QG2 80 LYS+ H 5.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1239, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 1174, 1175, 1176,
&end
#
# 76 ILE QG2 80 LYS+ QG 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 1174, 1175, 1176,
igr2= 1246, 1247,
&end
#
# 76 ILE QG2 77 SER HA 4.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1189, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 1174, 1175, 1176,
&end
#
# 76 ILE QD1 77 SER H 6.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1187, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1181, 1182, 1183,
&end
#
# 76 ILE QG2 77 SER H 4.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1187, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 1174, 1175, 1176,
&end
#
# 76 ILE HB 77 SER H 3.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1172, 1187, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 76 ILE H 77 SER H 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1168, 1187, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 76 ILE QG2 79 TRP HD1 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1174, 1175, 1176,
&end
#
# 76 ILE HA 79 TRP HB+ 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 1219, 1220,
&end
#
# 76 ILE HA 79 TRP HB- 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 1219, 1220,
&end
#
# 76 ILE HA 79 TRP HD1 5.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, 1223, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 76 ILE QG2 79 TRP H 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1174, 1175, 1176,
&end
#
# 76 ILE HB 79 TRP H 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1172, 1215, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 76 ILE HG12 79 TRP H 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1178, 1215, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 76 ILE HA 79 TRP H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, 1215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 76 ILE HA 79 TRP QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1170, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1219, 1220,
&end
#
# 77 SER HA 81 ASN HD2+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1270, 1271,
&end
#
# 77 SER HA 81 ASN H 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, 1261, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 77 SER HA 81 ASN HD2- 4.75 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 1270, 1271,
&end
#
# 77 SER H 78 HIS H 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1187, 1198, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 77 SER HA 80 LYS+ QD 5.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 1249, 1250,
&end
#
# 77 SER HA 80 LYS+ H 4.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, 1239, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 77 SER HA 80 LYS+ QG 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 1246, 1247,
&end
#
# 77 SER QB 80 LYS+ QD 5.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 1191, 1192,
igr2= 1249, 1250,
&end
#
# 77 SER HA 79 TRP H 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1189, 1215, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 77 SER H 79 TRP H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1187, 1215, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 78 HIS H 78 HIS HB- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1198, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1202, 1203,
&end
#
# 78 HIS H 78 HIS HB+ 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1198, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1202, 1203,
&end
#
# 78 HIS H 78 HIS QB 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1198, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 1202, 1203,
&end
#
# 78 HIS H 79 TRP H 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1198, 1215, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 78 HIS QB 79 TRP H 5.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1215, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 1202, 1203,
&end
#
# 79 TRP HA 82 CYS- H 4.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1217, 1275, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 79 TRP HH2 90 CYSZ HA 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1230, 1395, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 79 TRP HH2 90 CYSZ H 5.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1230, 1393, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 79 TRP HH2 93 LEU QQD 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1230, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 79 TRP HH2 93 LEU QQD 6.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1230, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 79 TRP HH2 93 LEU HB- 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1230, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 1440, 1441,
&end
#
# 79 TRP HH2 93 LEU HB+ 5.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1230, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 1440, 1441,
&end
#
# 79 TRP HE1 93 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1225, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 79 TRP HZ2 93 LEU QQD 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1228, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 79 TRP HH2 93 LEU QQD 5.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1230, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 79 TRP H 80 LYS+ H 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1215, 1239, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 79 TRP HB- 80 LYS+ H 4.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1239, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 1219, 1220,
&end
#
# 79 TRP HB+ 80 LYS+ H 4.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1239, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 1219, 1220,
&end
#
# 79 TRP QB 80 LYS+ H 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1239, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1219, 1220,
&end
#
# 79 TRP H 79 TRP QB 3.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1215, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 1219, 1220,
&end
#
# 80 LYS+ HG- 81 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1246, 1247,
&end
#
# 80 LYS+ HG+ 81 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1246, 1247,
&end
#
# 80 LYS+ H 81 ASN H 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1239, 1261, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 80 LYS+ QB 81 ASN H 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1243, 1244,
&end
#
# 80 LYS+ H 82 CYS- H 4.42 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1239, 1275, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 LYS+ QB 82 CYS- H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1275, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1243, 1244,
&end
#
# 80 LYS+ HB+ 80 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= 1243, 1244,
igr2= 1249, 1250,
&end
#
# 80 LYS+ HB- 80 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= 1243, 1244,
igr2= 1249, 1250,
&end
#
# 80 LYS+ HA 80 LYS+ QD 6.02 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1241, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 1249, 1250,
&end
#
# 80 LYS+ HB+ 80 LYS+ QE 6.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 1243, 1244,
igr2= 1252, 1253,
&end
#
# 80 LYS+ QD 80 LYS+ QE 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 1249, 1250,
igr2= 1252, 1253,
&end
#
# 80 LYS+ HG- 80 LYS+ QE 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 1246, 1247,
igr2= 1252, 1253,
&end
#
# 80 LYS+ HG+ 80 LYS+ QE 5.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 1246, 1247,
igr2= 1252, 1253,
&end
#
# 80 LYS+ HA 80 LYS+ QE 6.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1241, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 1252, 1253,
&end
#
# 80 LYS+ HB- 80 LYS+ QE 6.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 1243, 1244,
igr2= 1252, 1253,
&end
#
# 80 LYS+ H 80 LYS+ HG- 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1239, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 1246, 1247,
&end
#
# 80 LYS+ H 80 LYS+ HG+ 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1239, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 1246, 1247,
&end
#
# 80 LYS+ H 80 LYS+ QD 6.68 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1239, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 1249, 1250,
&end
#
# 80 LYS+ H 80 LYS+ QB 3.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1239, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 1243, 1244,
&end
#
# 80 LYS+ H 80 LYS+ QG 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1239, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 1246, 1247,
&end
#
# 80 LYS+ HA 80 LYS+ QG 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1241, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1246, 1247,
&end
#
# 80 LYS+ QB 80 LYS+ QE 6.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 1243, 1244,
igr2= 1252, 1253,
&end
#
# 80 LYS+ QG 80 LYS+ QE 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 1246, 1247,
igr2= 1252, 1253,
&end
#
# 81 ASN HA 81 ASN HD2+ 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1270, 1271,
&end
#
# 81 ASN H 81 ASN HB- 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 1265, 1266,
&end
#
# 81 ASN H 81 ASN HB+ 3.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 1265, 1266,
&end
#
# 81 ASN H 81 ASN HD2+ 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 1270, 1271,
&end
#
# 81 ASN HA 81 ASN HD2- 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1270, 1271,
&end
#
# 81 ASN H 81 ASN HD2- 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 1270, 1271,
&end
#
# 81 ASN H 81 ASN QD2 3.34 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 1270, 1271,
&end
#
# 81 ASN HA 81 ASN QD2 4.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 1270, 1271,
&end
#
# 81 ASN HA 83 THR QG2 7.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1263, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 1291, 1292, 1293,
&end
#
# 81 ASN HB- 82 CYS- H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1275, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 1265, 1266,
&end
#
# 81 ASN HB+ 82 CYS- H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1275, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 1265, 1266,
&end
#
# 81 ASN H 82 CYS- H 3.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, 1275, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 81 ASN QB 82 CYS- H 4.55 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1275, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 1265, 1266,
&end
#
# 82 CYS- H 82 CYS- HB- 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1275, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 1280, 1279,
&end
#
# 82 CYS- H 82 CYS- HB+ 3.21 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1275, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 1280, 1279,
&end
#
# 82 CYS- H 83 THR H 4.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1275, 1285, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 82 CYS- QB 83 THR H 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1285, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 1280, 1279,
&end
#
# 83 THR H 82 CYS- HA 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1285, 1277, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 83 THR HA 83 THR QG2 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1287, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 1291, 1292, 1293,
&end
#
# 83 THR H 83 THR QG2 3.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1285, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 1291, 1292, 1293,
&end
#
# 83 THR H 83 THR HA 3.10 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1285, 1287, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 83 THR H 83 THR HB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1285, 1289, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 ARG+ QB 84 ARG HD+ 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 1303, 1304,
igr2= 1309, 1310,
&end
#
# 84 ARG+ HA 84 ARG HD+ 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1301, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 1309, 1310,
&end
#
# 84 ARG+ QB 84 ARG+ HD- 4.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 1303, 1304,
igr2= 1309, 1310,
&end
#
# 84 ARG+ HA 84 ARG+ HD- 4.06 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1301, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 1309, 1310,
&end
#
# 84 ARG+ HA 84 ARG+ HG+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1301, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1306, 1307,
&end
#
# 84 ARG+ HA 84 ARG+ HG- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1301, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1306, 1307,
&end
#
# 84 ARG+ HA 84 ARG+ QG 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1301, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 1306, 1307,
&end
#
# 84 ARG+ HA 84 ARG+ QD 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1301, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 1309, 1310,
&end
#
# 84 ARG+ QD 86 ASP- H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1341, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1309, 1310,
&end
#
# 85 HIS QB 86 ASP- H 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1341, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 1327, 1328,
&end
#
# 85 HIS HA 91 LEU QQD 6.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1325, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 86 ASP- HA 86 ASP- H 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1343, 1341, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 86 ASP- QB 86 ASP- H 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1341, r1= 2.00, r2= 2.50, r3= 3.70, r4= 4.20,
igr1= 1345, 1346,
&end
#
# 86 ASP- HA 87 CYS- H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1343, 1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 ASP- H 87 CYS- H 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1341, 1353, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 ASP- HB+ 86 ASP- H 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1341, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 1345, 1346,
&end
#
# 86 ASP- HB- 86 ASP- H 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1341, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 1345, 1346,
&end
#
# 86 ASP- HA 91 LEU HG 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1343, 1410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 ASP- HA 91 LEU QQD 4.95 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1343, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 86 ASP- H 91 LEU QQD 7.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1341, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 86 ASP- HA 91 LEU QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1343, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1407, 1408,
&end
#
# 86 ASP- HA 91 LEU QQD 4.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1343, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 86 ASP- QB 91 LEU QQD 5.57 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1345, 1346,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 86 ASP- H 87 CYS- QB 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1341, -1, r1= 3.00, r2= 3.50, r3= 5.72, r4= 6.22,
igr2= 1358, 1357,
&end
#
# 87 CYS- H 87 CYS- QB 3.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 1358, 1357,
&end
#
# 87 CYS- QB 90 CYSZ H 3.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1393, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 1358, 1357,
&end
#
# 87 CYS- H 90 CYSZ H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, 1393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 CYS- QB 90 CYSZ QB 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 1358, 1357,
igr2= 1398, 1397,
&end
#
# 87 CYS- H 91 LEU H 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, 1403, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 87 CYS- QB 91 LEU H 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1403, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 1358, 1357,
&end
#
# 87 CYS- H 91 LEU QB 5.84 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 1407, 1408,
&end
#
# 87 CYS- H 91 LEU QQD 6.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 87 CYS- HA 91 LEU QQD 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1355, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 87 CYS- QB 91 LEU QQD 8.32 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 1358, 1357,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 87 CYS- H 94 LYS+ QD 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1465, 1466,
&end
#
# 87 CYS- H 88 PRO HD- 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1364, 1365,
&end
#
# 87 CYS- H 88 PRO HD+ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1353, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 1364, 1365,
&end
#
# 87 CYS- QB 89 VAL H 4.76 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1377, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 1358, 1357,
&end
#
# 88 PRO QG 90 CYSZ H 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1393, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 1367, 1368,
&end
#
# 88 PRO HA 91 LEU H 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1373, 1403, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 88 PRO HA 91 LEU QQD 5.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1373, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 88 PRO QB 89 VAL HA 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1379, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1370, 1371,
&end
#
# 88 PRO QG 89 VAL H 4.91 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1377, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 1367, 1368,
&end
#
# 88 PRO QD 89 VAL H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1377, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 1364, 1365,
&end
#
# 89 VAL H 90 CYSZ H 3.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1377, 1393, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 89 VAL QG1 90 CYSZ H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1393, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1383, 1384, 1385,
&end
#
# 89 VAL QG2 90 CYSZ H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1393, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1387, 1388, 1389,
&end
#
# 89 VAL HB 90 CYSZ H 4.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1381, 1393, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 89 VAL QQG 90 CYSZ H 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1393, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 89 VAL QQG 90 CYSZ HA 5.66 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1395, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 89 VAL H 91 LEU H 4.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1377, 1403, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 89 VAL QQG 93 LEU H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1436, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 89 VAL HA 89 VAL QG2 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1379, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 1387, 1388, 1389,
&end
#
# 89 VAL HA 89 VAL QG1 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1379, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 1383, 1384, 1385,
&end
#
# 89 VAL H 89 VAL HB 3.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1377, 1381, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 89 VAL H 89 VAL QQG 4.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1377, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 1383, 1384, 1385, 1387, 1388, 1389,
&end
#
# 90 CYSZ H 90 CYSZ QB 4.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1398, 1397,
&end
#
# 90 CYSZ HA 93 LEU QQD 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 90 CYSZ HA 93 LEU QQD 5.44 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 90 CYSZ HA 93 LEU H 4.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, 1436, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 90 CYSZ H 91 LEU H 3.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1393, 1403, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 90 CYSZ HA 93 LEU QQD 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 90 CYSZ QB 91 LEU H 5.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1403, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 1398, 1397,
&end
#
# 90 CYSZ QB 94 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= 1398, 1397,
igr2= 1468, 1469,
&end
#
# 90 CYSZ QB 94 LYS+ QG 7.56 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 1398, 1397,
igr2= 1462, 1463,
&end
#
# 90 CYSZ HB+ 94 LYS+ HB- 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1398, 1397,
igr2= 1459, 1460,
&end
#
# 91 LEU QQD 95 ASN HD2- 5.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 1412, 1413, 1414, 1416, 1417, 1418,
igr2= 1486, 1487,
&end
#
# 91 LEU QQD 95 ASN HD2+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 1412, 1413, 1414, 1416, 1417, 1418,
igr2= 1486, 1487,
&end
#
# 91 LEU HA 91 LEU HG 3.96 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1405, 1410, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 91 LEU HA 91 LEU QQD 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1405, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 91 LEU HA 91 LEU QQD 4.23 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1405, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 91 LEU H 91 LEU HG 4.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1403, 1410, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 91 LEU QB 91 LEU QQD 4.12 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 1407, 1408,
igr2= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 91 LEU HA 94 LYS+ H 3.82 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1405, 1455, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 91 LEU QQD 94 LYS+ H 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1455, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 91 LEU QQD 94 LYS+ QD 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 1412, 1413, 1414, 1416, 1417, 1418,
igr2= 1465, 1466,
&end
#
# 91 LEU HB+ 92 PRO HD+ 4.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 1407, 1408,
igr2= 1423, 1424,
&end
#
# 91 LEU QQD 92 PRO HD+ 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 1412, 1413, 1414, 1416, 1417, 1418,
igr2= 1423, 1424,
&end
#
# 91 LEU QB 92 PRO HA 5.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1432, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 1407, 1408,
&end
#
# 91 LEU QQD 92 PRO HA 5.53 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1432, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 1412, 1413, 1414, 1416, 1417, 1418,
&end
#
# 92 PRO HA 95 ASN HD2+ 5.31 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1432, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 1486, 1487,
&end
#
# 92 PRO HA 95 ASN HD2- 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1432, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 1486, 1487,
&end
#
# 92 PRO HA 95 ASN H 4.39 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1432, 1477, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 92 PRO HA 95 ASN QB 4.97 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1432, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 1481, 1482,
&end
#
# 93 LEU QQD 96 ALA QB 7.85 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 1445, 1446, 1447, 1449, 1450, 1451,
igr2= 1495, 1496, 1497,
&end
#
# 93 LEU HA 93 LEU QQD 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1438, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 93 LEU HA 93 LEU QQD 4.64 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1438, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 93 LEU HA 93 LEU HG 4.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1438, 1443, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 93 LEU H 93 LEU QQD 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 93 LEU H 93 LEU QQD 6.14 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 93 LEU H 93 LEU HG 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, 1443, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 93 LEU H 93 LEU QQD 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 93 LEU HA 93 LEU QQD 4.37 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1438, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 93 LEU H 94 LYS+ H 3.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1436, 1455, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 93 LEU QB 94 LYS+ H 4.58 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1455, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 1440, 1441,
&end
#
# 93 LEU QQD 94 LYS+ H 5.99 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1455, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 93 LEU QQD 94 LYS+ HA 7.33 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1457, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 1445, 1446, 1447, 1449, 1450, 1451,
&end
#
# 94 LYS+ HD- 95 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1465, 1466,
&end
#
# 94 LYS+ HD+ 95 ASN H 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1465, 1466,
&end
#
# 94 LYS+ HB+ 95 ASN H 4.27 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1477, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 1459, 1460,
&end
#
# 94 LYS+ HG- 95 ASN H 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1477, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 1462, 1463,
&end
#
# 94 LYS+ HG+ 95 ASN H 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1477, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 1462, 1463,
&end
#
# 94 LYS+ H 95 ASN H 3.35 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, 1477, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 94 LYS+ QG 95 ASN H 4.16 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1477, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 1462, 1463,
&end
#
# 94 LYS+ QG 95 ASN HA 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1479, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 1462, 1463,
&end
#
# 94 LYS+ HA 94 LYS+ HG+ 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1457, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1462, 1463,
&end
#
# 94 LYS+ HB+ 94 LYS+ HD+ 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 1459, 1460,
igr2= 1465, 1466,
&end
#
# 94 LYS+ HB- 94 LYS+ HE+ 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 1459, 1460,
igr2= 1468, 1469,
&end
#
# 94 LYS+ HB- 94 LYS+ HE- 5.79 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 1459, 1460,
igr2= 1468, 1469,
&end
#
# 94 LYS+ HB+ 94 LYS+ HD- 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 1459, 1460,
igr2= 1465, 1466,
&end
#
# 94 LYS+ HA 94 LYS+ HG- 4.18 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1457, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 1462, 1463,
&end
#
# 94 LYS+ H 94 LYS+ HG+ 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1462, 1463,
&end
#
# 94 LYS+ H 94 LYS+ HD- 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 1465, 1466,
&end
#
# 94 LYS+ H 94 LYS+ HD+ 5.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 1465, 1466,
&end
#
# 94 LYS+ H 94 LYS+ HB+ 3.43 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 1459, 1460,
&end
#
# 94 LYS+ H 94 LYS+ HG- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1462, 1463,
&end
#
# 94 LYS+ H 94 LYS+ QG 4.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 1462, 1463,
&end
#
# 94 LYS+ H 94 LYS+ QD 5.88 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1455, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 1465, 1466,
&end
#
# 94 LYS+ HA 94 LYS+ QG 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1457, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 1462, 1463,
&end
#
# 94 LYS+ HB- 94 LYS+ QD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1459, 1460,
igr2= 1465, 1466,
&end
#
# 94 LYS+ HB- 94 LYS+ QE 5.72 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 1459, 1460,
igr2= 1468, 1469,
&end
#
# 94 LYS+ HB+ 94 LYS+ QD 4.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 1459, 1460,
igr2= 1465, 1466,
&end
#
# 94 LYS+ QG 94 LYS+ QD 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 1462, 1463,
igr2= 1465, 1466,
&end
#
# 95 ASN HB+ 96 ALA HA 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1493, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1481, 1482,
&end
#
# 95 ASN HB- 96 ALA HA 5.05 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1493, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1481, 1482,
&end
#
# 95 ASN HD2- 96 ALA H 5.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1491, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 1486, 1487,
&end
#
# 95 ASN HB+ 96 ALA H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1491, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 1481, 1482,
&end
#
# 95 ASN HB- 96 ALA H 4.15 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1491, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 1481, 1482,
&end
#
# 95 ASN H 96 ALA H 3.65 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1477, 1491, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 95 ASN QB 96 ALA H 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 1481, 1482,
&end
#
# 95 ASN QB 96 ALA HA 4.94 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1493, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 1481, 1482,
&end
#
# 95 ASN HA 95 ASN HD2+ 4.07 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1479, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 1486, 1487,
&end
#
# 95 ASN HA 95 ASN HD2- 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1479, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1486, 1487,
&end
#
# 95 ASN H 95 ASN HB+ 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1477, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 1481, 1482,
&end
#
# 95 ASN H 95 ASN HB- 3.59 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1477, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 1481, 1482,
&end
#
# 95 ASN H 95 ASN QB 3.47 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1477, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 1481, 1482,
&end
#
# 95 ASN HA 95 ASN QB 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1479, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 1481, 1482,
&end
#
# 95 ASN QB 95 ASN HD2- 3.45 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 1481, 1482,
igr2= 1486, 1487,
&end
#
# 95 ASN QB 95 ASN HD2+ 4.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 1481, 1482,
igr2= 1486, 1487,
&end
#
# 96 ALA H 96 ALA QB 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1491, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 1495, 1496, 1497,
&end
#
# 96 ALA HA 98 ASP- H 4.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1493, 1512, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 96 ALA QB 98 ASP- H 5.63 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1512, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 1495, 1496, 1497,
&end
#
# 96 ALA HA 122 LEU QQD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1493, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 1825, 1826, 1827, 1829, 1830, 1831,
&end
#
# 96 ALA QB 121 LEU HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1495, 1496, 1497,
&end
#
# 96 ALA HA 126 PHE HD2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1493, 1904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ALA QB 97 SER H 4.28 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1501, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 1495, 1496, 1497,
&end
#
# 96 ALA H 97 SER H 3.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1491, 1501, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 97 SER H 98 ASP- H 3.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1501, 1512, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 97 SER QB 98 ASP- H 4.77 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1512, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1505, 1506,
&end
#
# 97 SER HA 97 SER HB- 3.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1503, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 1505, 1506,
&end
#
# 97 SER HA 97 SER HB+ 3.04 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1503, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 1505, 1506,
&end
#
# 97 SER H 97 SER QB 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1501, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 1505, 1506,
&end
#
# 98 ASP- QB 100 ARG+ H 5.26 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1546, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 1516, 1517,
&end
#
# 98 ASP- H 98 ASP- QB 4.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 1516, 1517,
&end
#
# 98 ASP- HA 99 LYS+ HA 4.71 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, 1526, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 98 ASP- HB- 99 LYS+ H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1524, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1516, 1517,
&end
#
# 98 ASP- HB+ 99 LYS+ H 4.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1524, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 1516, 1517,
&end
#
# 98 ASP- HA 99 LYS+ H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1514, 1524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ASP- QB 99 LYS+ H 4.62 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1524, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 1516, 1517,
&end
#
# 98 ASP- H 95 ASN HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1512, 1479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 LYS+ HA 100 ARG+ H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1526, 1546, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 LYS+ QB 100 ARG+ H 4.69 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 1546, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1528, 1529,
&end
#
# 99 LYS+ H 100 ARG+ H 3.19 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, 1546, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 99 LYS+ HA 99 LYS+ HG+ 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1526, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1531, 1532,
&end
#
# 99 LYS+ HA 99 LYS+ HG- 3.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1526, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1531, 1532,
&end
#
# 99 LYS+ HA 99 LYS+ HD- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1526, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1534, 1535,
&end
#
# 99 LYS+ HA 99 LYS+ HD+ 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1526, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1534, 1535,
&end
#
# 99 LYS+ H 99 LYS+ HG- 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 1531, 1532,
&end
#
# 99 LYS+ H 99 LYS+ HG+ 5.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 1531, 1532,
&end
#
# 99 LYS+ H 99 LYS+ HD- 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1534, 1535,
&end
#
# 99 LYS+ H 99 LYS+ HD+ 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1534, 1535,
&end
#
# 99 LYS+ H 99 LYS+ QB 3.87 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 1528, 1529,
&end
#
# 99 LYS+ H 99 LYS+ QG 4.86 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1531, 1532,
&end
#
# 99 LYS+ H 99 LYS+ QD 4.36 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1524, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 1534, 1535,
&end
#
# 99 LYS+ QB 99 LYS+ QD 5.51 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 1528, 1529,
igr2= 1534, 1535,
&end
#
# 99 LYS+ QG 99 LYS+ QD 4.25 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 1531, 1532,
igr2= 1534, 1535,
&end
#
# 99 LYS+ QG 99 LYS+ QE 5.52 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 1531, 1532,
igr2= 1537, 1538,
&end
#
# 99 LYS+ QD 99 LYS+ QE 4.22 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 1534, 1535,
igr2= 1537, 1538,
&end
#
# 100 ARG+ HB+ 100 ARG+ QG 3.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 1550, 1551,
igr2= 1553, 1554,
&end
#
# 100 ARG+ HB- 100 ARG+ QG 3.11 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 1550, 1551,
igr2= 1553, 1554,
&end
#
# 100 ARG+ HA 100 ARG+ QG 3.83 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 1553, 1554,
&end
#
# 100 ARG+ H 100 ARG+ QG 3.78 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1546, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 1553, 1554,
&end
#
# 100 ARG+ H 100 ARG+ QB 3.48 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1546, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 1550, 1551,
&end
#
# 100 ARG+ H 100 ARG+ QD 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1546, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 1556, 1557,
&end
#
# 100 ARG+ HA 100 ARG+ QD 4.49 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1548, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 1556, 1557,
&end
#
# 100 ARG+ QB 100 ARG+ QD 4.08 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 1550, 1551,
igr2= 1556, 1557,
&end
#
# 82 CYS- HA 83 THR QG2 5.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1277, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 1291, 1292, 1293,
&end
#
# 81 ASN H 82 CYS- QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 1280, 1279,
&end
#
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