NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
20934 | 2gqm | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 5 LYS+ HN 5 LYS+ QG 7.30 &rst ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, rk2=50.0, rk3=50.0, ir6=1, ialtd=0, igr2= 63, 64, &end # # 5 LYS+ HN 5 LYS+ QD 7.00 &rst ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2= 66, 67, &end # # 5 LYS+ HA 5 LYS+ QD 6.10 &rst ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2= 66, 67, &end # # 5 LYS+ HA 5 LYS+ QE 7.00 &rst ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2= 69, 70, &end # # 5 LYS+ HB2 5 LYS+ QD 3.90 &rst ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 66, 67, &end # # 5 LYS+ HB2 5 LYS+ QE 5.70 &rst ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2= 69, 70, &end # # 5 LYS+ HB3 5 LYS+ QD 3.90 &rst ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 66, 67, &end # # 5 LYS+ HB3 5 LYS+ QE 5.70 &rst ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2= 69, 70, &end # # 5 LYS+ QB 5 LYS+ QD 3.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 60, 61, igr2= 66, 67, &end # # 5 LYS+ QB 5 LYS+ QE 5.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1= 60, 61, igr2= 69, 70, &end # # 7 LEU HN 7 LEU HG 5.60 &rst ixpk= 0, nxpk= 0, iat= 92, 99, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 7 LEU HN 7 LEU QD1 6.40 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2= 101, 102, 103, &end # # 7 LEU HN 7 LEU QD2 6.40 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2= 105, 106, 107, &end # # 7 LEU HN 7 LEU QQD 5.90 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr2= 105, 106, 107, 101, 102, 103, &end # # 7 LEU HN 8 LEU HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 92, 111, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 7 LEU HA 7 LEU HG 4.20 &rst ixpk= 0, nxpk= 0, iat= 94, 99, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 7 LEU HA 7 LEU QD1 5.30 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr2= 101, 102, 103, &end # # 7 LEU HA 7 LEU QD2 5.30 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr2= 105, 106, 107, &end # # 7 LEU HB2 8 LEU HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 96, 111, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 7 LEU HB3 8 LEU HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 97, 111, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 7 LEU QB 8 LEU HN 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 96, 97, &end # # 7 LEU HG 8 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 99, 111, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 8 LEU HN 8 LEU HG 5.40 &rst ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 8 LEU HN 8 LEU QD1 6.10 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2= 120, 121, 122, &end # # 8 LEU HN 8 LEU QD2 6.10 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2= 124, 125, 126, &end # # 8 LEU HN 8 LEU QQD 5.59 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04, igr2= 124, 125, 126, 120, 121, 122, &end # # 8 LEU HA 8 LEU QD1 6.40 &rst ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2= 120, 121, 122, &end # # 8 LEU HA 8 LEU QD2 6.40 &rst ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2= 124, 125, 126, &end # # 8 LEU HB2 9 GLY HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 8 LEU HB3 9 GLY HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 8 LEU HG 9 GLY HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 8 LEU QD1 9 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 120, 121, 122, &end # # 8 LEU QD2 9 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 124, 125, 126, &end # # 9 GLY HN 113 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1768,1777, &end # # 9 GLY HN 113 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1770,1775, &end # # 9 GLY HA2 113 TYR HH 6.60 &rst ixpk= 0, nxpk= 0, iat= 132,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 9 GLY HA3 113 TYR HH 6.60 &rst ixpk= 0, nxpk= 0, iat= 133,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 9 GLY QA 113 TYR QE 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1= 132, 133, igr2=1770,1775, &end # # 10 GLY HN 11 PRO QD 7.18 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr2= 145, 146, &end # # 10 GLY HN 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 10 GLY HN 113 TYR QE 8.40 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93, igr2=1770,1775, &end # # 10 GLY HN 113 TYR HH 6.60 &rst ixpk= 0, nxpk= 0, iat= 137,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 11 PRO HA 24 ASP- HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 154, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 11 PRO HA 25 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 154, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 11 PRO HA 108 GLN QE2 7.47 &rst ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2=1695,1696, &end # # 11 PRO HB2 12 PHE HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 151, 158, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 11 PRO HB3 12 PHE HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 152, 158, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 11 PRO HG2 12 PHE HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 148, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 11 PRO HG3 12 PHE HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 149, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 11 PRO QG 12 PHE HN 5.18 &rst ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 148, 149, &end # # 11 PRO HD2 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 11 PRO HD3 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 12 PHE HN 12 PHE QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 168, 172, &end # # 12 PHE HN 13 SER HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 158, 178, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HN 23 THR HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 158, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HN 23 THR HB 6.40 &rst ixpk= 0, nxpk= 0, iat= 158, 339, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 12 PHE HN 23 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 341, 342, 343, &end # # 12 PHE HN 24 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 158, 349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HN 24 ASP- HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 158, 351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HN 25 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 158, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HA 108 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat= 160,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HA 108 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat= 160,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HA 109 VAL HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 160,1702, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HA 109 VAL HB 6.50 &rst ixpk= 0, nxpk= 0, iat= 160,1704, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 12 PHE HA 109 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1706,1707,1708,1710,1711,1712, &end # # 12 PHE QB 14 LEU HN 7.50 &rst ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, igr1= 162, 163, &end # # 12 PHE QB 14 LEU QQD 10.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89, igr1= 162, 163, igr2= 202, 203, 204, 198, 199, 200, &end # # 12 PHE QB 108 GLN QE2 6.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40, igr1= 162, 163, igr2=1695,1696, &end # # 12 PHE QB 109 VAL HN 5.40 &rst ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 162, 163, &end # # 12 PHE QB 109 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87, igr1= 162, 163, igr2=1706,1707,1708,1710,1711,1712, &end # # 12 PHE QD 13 SER HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 166, 174, &end # # 12 PHE QD 13 SER HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 166, 174, &end # # 12 PHE QD 14 LEU HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 166, 174, &end # # 12 PHE QD 14 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 166, 174, igr2= 202, 203, 204, 198, 199, 200, &end # # 12 PHE QD 23 THR HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 166, 174, &end # # 12 PHE QD 23 THR HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 166, 174, &end # # 12 PHE QD 24 ASP- HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 166, 174, &end # # 12 PHE QD 36 PHE QE 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1= 166, 174, igr2= 571, 575, &end # # 12 PHE QD 71 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 166, 174, igr2=1108,1109,1110,1104,1105,1106, &end # # 12 PHE QD 73 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 166, 174, igr2=1147,1148,1149, &end # # 12 PHE QD 99 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 166, 174, igr2=1560,1561,1562,1556,1557,1558, &end # # 12 PHE QD 109 VAL QQG 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1= 166, 174, igr2=1706,1707,1708,1710,1711,1712, &end # # 12 PHE QD 113 TYR QE 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1= 166, 174, igr2=1770,1775, &end # # 12 PHE QD 113 TYR HH 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 166, 174, &end # # 12 PHE QE 13 SER HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE QE 14 LEU HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE QE 14 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 168, 172, igr2= 202, 203, 204, 198, 199, 200, &end # # 12 PHE QE 23 THR HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE QE 23 THR HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE QE 24 ASP- HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE QE 24 ASP- HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE QE 25 LYS+ HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE QE 27 TYR QD 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1= 168, 172, igr2= 403, 412, &end # # 12 PHE QE 32 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 168, 172, igr2= 496, 497, 498, 492, 493, 494, &end # # 12 PHE QE 34 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 168, 172, igr2= 534, 535, 536, &end # # 12 PHE QE 71 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 168, 172, igr2=1108,1109,1110,1104,1105,1106, &end # # 12 PHE QE 73 ILE QG1 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1= 168, 172, igr2=1144,1145, &end # # 12 PHE QE 73 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 168, 172, igr2=1147,1148,1149, &end # # 12 PHE QE 99 LEU QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 168, 172, igr2=1556,1557,1558, &end # # 12 PHE QE 99 LEU QD2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 168, 172, igr2=1560,1561,1562, &end # # 12 PHE QE 109 VAL QQG 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1= 168, 172, igr2=1706,1707,1708,1710,1711,1712, &end # # 12 PHE QE 113 TYR HH 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 168, 172, &end # # 12 PHE HZ 13 SER HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 170, 180, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HZ 22 LYS+ HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 170, 315, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HZ 24 ASP- HA 6.30 &rst ixpk= 0, nxpk= 0, iat= 170, 351, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 12 PHE HZ 25 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 170, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 12 PHE HZ 32 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2= 496, 497, 498, 492, 493, 494, &end # # 12 PHE HZ 34 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 527, 528, 529, &end # # 12 PHE HZ 34 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 534, 535, 536, &end # # 12 PHE HZ 71 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1108,1109,1110,1104,1105,1106, &end # # 12 PHE HZ 73 ILE QG1 7.48 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1144,1145, &end # # 12 PHE HZ 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 12 PHE HZ 99 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1556,1557,1558, &end # # 12 PHE HZ 99 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1560,1561,1562, &end # # 12 PHE HZ 109 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1706,1707,1708,1710,1711,1712, &end # # 13 SER HN 14 LEU HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 13 SER HN 14 LEU HG 6.50 &rst ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 13 SER HN 14 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 198, 199, 200, &end # # 13 SER HN 14 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 202, 203, 204, &end # # 13 SER HN 105 GLU- HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 178,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 13 SER HN 105 GLU- QB 6.90 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=1644,1645, &end # # 13 SER HN 108 GLN HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 178,1687, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 13 SER HN 108 GLN HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 178,1688, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 13 SER HN 108 GLN HG2 6.50 &rst ixpk= 0, nxpk= 0, iat= 178,1690, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 13 SER HN 108 GLN HG3 6.50 &rst ixpk= 0, nxpk= 0, iat= 178,1691, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 13 SER HN 109 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1706,1707,1708,1710,1711,1712, &end # # 13 SER HA 23 THR HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 180, 337, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 13 SER HA 23 THR QG2 7.30 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr2= 341, 342, 343, &end # # 13 SER HA 24 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 180, 349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 13 SER HB2 14 LEU HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 182, 189, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 13 SER HB2 23 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 341, 342, 343, &end # # 13 SER HB3 14 LEU HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 13 SER HB3 23 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 341, 342, 343, &end # # 14 LEU HN 14 LEU HG 6.00 &rst ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 LEU HN 14 LEU QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 198, 199, 200, &end # # 14 LEU HN 14 LEU QD2 7.00 &rst ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 202, 203, 204, &end # # 14 LEU HN 14 LEU QQD 6.62 &rst ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 8.92, r4= 9.42, igr2= 202, 203, 204, 198, 199, 200, &end # # 14 LEU HN 21 ARG+ HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 189, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 14 LEU HN 21 ARG+ HD3 6.60 &rst ixpk= 0, nxpk= 0, iat= 189, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 14 LEU HN 22 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 189, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 14 LEU HN 23 THR HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 189, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 14 LEU HN 23 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 189, 339, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 14 LEU HN 23 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 341, 342, 343, &end # # 14 LEU HA 14 LEU QD1 6.60 &rst ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr2= 198, 199, 200, &end # # 14 LEU HA 14 LEU QD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr2= 202, 203, 204, &end # # 14 LEU HA 100 THR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 191,1566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 14 LEU HB2 15 THR HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 14 LEU HB3 15 THR HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 14 LEU QB 15 THR HN 5.63 &rst ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 193, 194, &end # # 14 LEU QB 100 THR HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 193, 194, &end # # 14 LEU QB 109 VAL QQG 8.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.53, r4=14.03, igr1= 193, 194, igr2=1706,1707,1708,1710,1711,1712, &end # # 14 LEU HG 15 THR HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 14 LEU HG 100 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 196,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 14 LEU QD1 15 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 198, 199, 200, &end # # 14 LEU QD1 99 LEU HB2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 198, 199, 200, &end # # 14 LEU QD1 99 LEU HB3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 198, 199, 200, &end # # 14 LEU QD1 101 GLY HA2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 198, 199, 200, &end # # 14 LEU QD1 101 GLY HA3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 198, 199, 200, &end # # 14 LEU QD1 109 VAL QG1 11.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43, igr1= 198, 199, 200, igr2=1706,1707,1708, &end # # 14 LEU QD1 109 VAL QG2 11.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43, igr1= 198, 199, 200, igr2=1710,1711,1712, &end # # 14 LEU QD2 15 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 202, 203, 204, &end # # 14 LEU QD2 99 LEU HB2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 202, 203, 204, &end # # 14 LEU QD2 99 LEU HB3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 202, 203, 204, &end # # 14 LEU QD2 101 GLY HA2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 202, 203, 204, &end # # 14 LEU QD2 101 GLY HA3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 202, 203, 204, &end # # 14 LEU QD2 109 VAL QG1 11.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43, igr1= 202, 203, 204, igr2=1706,1707,1708, &end # # 14 LEU QD2 109 VAL QG2 11.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43, igr1= 202, 203, 204, igr2=1710,1711,1712, &end # # 14 LEU QQD 36 PHE QD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 202, 203, 204, 198, 199, 200, igr2= 569, 577, &end # # 14 LEU QQD 36 PHE QE 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 202, 203, 204, 198, 199, 200, igr2= 571, 575, &end # # 14 LEU QQD 73 ILE HB 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 73 ILE QD1 9.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.33, r4=15.83, igr1= 202, 203, 204, 198, 199, 200, igr2=1147,1148,1149, &end # # 14 LEU QQD 99 LEU HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 99 LEU QB 9.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.66, r4=14.16, igr1= 202, 203, 204, 198, 199, 200, igr2=1551,1552, &end # # 14 LEU QQD 99 LEU HG 8.67 &rst ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 100 THR HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 100 THR HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 100 THR HB 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 101 GLY HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 101 GLY QA 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31, igr1= 202, 203, 204, 198, 199, 200, igr2=1582,1583, &end # # 14 LEU QQD 102 THR HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 105 GLU- HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 106 VAL HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1657, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 109 VAL HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 109 VAL HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 109 VAL HB 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 202, 203, 204, 198, 199, 200, &end # # 14 LEU QQD 109 VAL QQG 9.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=17.81, r4=18.31, igr1= 202, 203, 204, 198, 199, 200, igr2=1706,1707,1708,1710,1711,1712, &end # # 15 THR HN 99 LEU HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 208,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HN 99 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1551,1552, &end # # 15 THR HN 100 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 208,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HN 100 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 208,1570, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HN 100 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1572,1573,1574, &end # # 15 THR HA 21 ARG+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 210, 289, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HA 21 ARG+ HA 6.20 &rst ixpk= 0, nxpk= 0, iat= 210, 291, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 15 THR HA 21 ARG+ QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 293, 294, &end # # 15 THR HA 21 ARG+ HG2 6.60 &rst ixpk= 0, nxpk= 0, iat= 210, 296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HA 21 ARG+ HG3 6.60 &rst ixpk= 0, nxpk= 0, iat= 210, 297, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HA 21 ARG+ QG 6.39 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2= 296, 297, &end # # 15 THR HA 21 ARG+ HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 210, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HA 21 ARG+ HD3 6.60 &rst ixpk= 0, nxpk= 0, iat= 210, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HA 21 ARG+ QD 6.39 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2= 299, 300, &end # # 15 THR HA 22 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 210, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HA 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 15 THR HA 100 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 210,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HB 16 THR HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 15 THR HB 19 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 212, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HB 22 LYS+ HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 212, 313, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 15 THR HB 82 LYS+ QG 6.98 &rst ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=1281,1282, &end # # 15 THR HB 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 15 THR HB 100 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 212,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 15 THR HB 100 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1572,1573,1574, &end # # 15 THR QG2 16 THR HN 6.80 &rst ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 214, 215, 216, &end # # 15 THR QG2 17 HIST HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 214, 215, 216, &end # # 15 THR QG2 18 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 214, 215, 216, &end # # 15 THR QG2 19 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 214, 215, 216, &end # # 15 THR QG2 19 GLY HA2 7.30 &rst ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr1= 214, 215, 216, &end # # 15 THR QG2 19 GLY HA3 7.30 &rst ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr1= 214, 215, 216, &end # # 15 THR QG2 19 GLY QA 7.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07, igr1= 214, 215, 216, igr2= 269, 270, &end # # 15 THR QG2 20 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 214, 215, 216, &end # # 15 THR QG2 21 ARG+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 214, 215, 216, &end # # 16 THR HN 16 THR HG1 5.50 &rst ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 THR HN 17 HIST HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 16 THR HN 19 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 222, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HN 20 GLU- HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 222, 274, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 16 THR HN 20 GLU- HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 222, 276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HN 20 GLU- QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 278, 279, &end # # 16 THR HN 21 ARG+ HA 6.20 &rst ixpk= 0, nxpk= 0, iat= 222, 291, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 16 THR HN 21 ARG+ QG 7.28 &rst ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2= 296, 297, &end # # 16 THR HN 99 LEU HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 222,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HN 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 16 THR HA 18 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 224, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HA 97 VAL HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 224,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HA 97 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1530,1531,1532,1534,1535,1536, &end # # 16 THR HA 98 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 224,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HA 99 LEU HA 6.40 &rst ixpk= 0, nxpk= 0, iat= 224,1549, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 16 THR HA 99 LEU HB2 5.00 &rst ixpk= 0, nxpk= 0, iat= 224,1551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 16 THR HA 99 LEU HB3 5.00 &rst ixpk= 0, nxpk= 0, iat= 224,1552, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 16 THR HA 99 LEU QB 4.63 &rst ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1551,1552, &end # # 16 THR HA 99 LEU HG 6.60 &rst ixpk= 0, nxpk= 0, iat= 224,1554, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HA 99 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1556,1557,1558, &end # # 16 THR HA 99 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1560,1561,1562, &end # # 16 THR HA 100 THR HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 224,1566, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 16 THR HB 17 HIST HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 THR HB 18 THR HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 226, 253, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 16 THR HB 19 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 226, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HB 20 GLU- HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 226, 274, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 16 THR HB 97 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1530,1531,1532,1534,1535,1536, &end # # 16 THR HB 98 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 226,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HB 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 16 THR QG2 17 HIST HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 228, 229, 230, &end # # 16 THR QG2 18 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 228, 229, 230, &end # # 16 THR QG2 20 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 228, 229, 230, &end # # 16 THR QG2 20 GLU- QG 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 228, 229, 230, igr2= 281, 282, &end # # 16 THR QG2 22 LYS+ QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1= 228, 229, 230, igr2= 317, 318, &end # # 16 THR QG2 98 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 228, 229, 230, &end # # 16 THR QG2 99 LEU HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 228, 229, 230, &end # # 16 THR QG2 99 LEU QQD 6.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.28, r4=11.78, igr1= 228, 229, 230, igr2=1560,1561,1562,1556,1557,1558, &end # # 16 THR HG1 17 HIST HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HG1 18 THR HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 16 THR HG1 19 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 232, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 16 THR HG1 20 GLU- HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 232, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 16 THR HG1 20 GLU- QG 7.40 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr2= 281, 282, &end # # 16 THR HG1 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 17 HIST HN 17 HIST HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HN 17 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat= 236, 245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HN 18 THR HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 17 HIST HN 19 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 236, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HN 20 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 236, 274, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HN 86 ALA HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 236,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HN 97 VAL QQG 9.06 &rst ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71, igr2=1530,1531,1532,1534,1535,1536, &end # # 17 HIST HN 98 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 236,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HA 17 HIST HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 238, 249, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HA 82 LYS+ HA 5.30 &rst ixpk= 0, nxpk= 0, iat= 238,1276, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 17 HIST HA 82 LYS+ HB2 6.10 &rst ixpk= 0, nxpk= 0, iat= 238,1278, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 17 HIST HA 82 LYS+ HB3 6.10 &rst ixpk= 0, nxpk= 0, iat= 238,1279, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 17 HIST HA 82 LYS+ QG 6.48 &rst ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2=1281,1282, &end # # 17 HIST HA 82 LYS+ QD 6.48 &rst ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2=1284,1285, &end # # 17 HIST HA 86 ALA HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 238,1340, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 17 HIST HA 86 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1344,1345,1346, &end # # 17 HIST HB2 18 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB2 19 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 240, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB2 82 LYS+ HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 240,1276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB2 85 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1327,1328,1329, &end # # 17 HIST HB2 86 ALA HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 240,1340, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 17 HIST HB2 86 ALA HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 240,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB2 86 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1344,1345,1346, &end # # 17 HIST HB2 89 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1391,1392,1393, &end # # 17 HIST HB2 89 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1395,1396,1397, &end # # 17 HIST HB2 98 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 240,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB2 98 GLY HA2 8.35 &rst ixpk= 0, nxpk= 0, iat= 240,1542, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 17 HIST HB2 98 GLY HA3 8.35 &rst ixpk= 0, nxpk= 0, iat= 240,1543, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 17 HIST HB3 18 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB3 19 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 241, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB3 82 LYS+ HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 241,1276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB3 85 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1327,1328,1329, &end # # 17 HIST HB3 86 ALA HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 241,1340, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 17 HIST HB3 86 ALA HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 241,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB3 86 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1344,1345,1346, &end # # 17 HIST HB3 89 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1391,1392,1393, &end # # 17 HIST HB3 89 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1395,1396,1397, &end # # 17 HIST HB3 98 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 241,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HB3 98 GLY HA2 8.35 &rst ixpk= 0, nxpk= 0, iat= 241,1542, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 17 HIST HB3 98 GLY HA3 8.35 &rst ixpk= 0, nxpk= 0, iat= 241,1543, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 17 HIST QB 18 THR HN 6.39 &rst ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr1= 240, 241, &end # # 17 HIST QB 19 GLY HN 6.25 &rst ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 240, 241, &end # # 17 HIST QB 85 ILE QG2 7.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.04, r4=10.54, igr1= 240, 241, igr2=1327,1328,1329, &end # # 17 HIST QB 86 ALA HN 6.19 &rst ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1= 240, 241, &end # # 17 HIST QB 89 VAL QQG 9.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30, igr1= 240, 241, igr2=1391,1392,1393,1395,1396,1397, &end # # 17 HIST QB 98 GLY QA 7.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85, igr1= 240, 241, igr2=1542,1543, &end # # 17 HIST QB 99 LEU HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 240, 241, &end # # 17 HIST HD2 18 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HD2 18 THR HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 249, 255, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HD2 82 LYS+ QG 7.48 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1281,1282, &end # # 17 HIST HD2 83 GLU- HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 249,1298, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HD2 85 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1327,1328,1329, &end # # 17 HIST HD2 86 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 249,1340, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HD2 86 ALA HA 6.50 &rst ixpk= 0, nxpk= 0, iat= 249,1342, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 17 HIST HD2 86 ALA QB 7.50 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr2=1344,1345,1346, &end # # 17 HIST HD2 89 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1391,1392,1393,1395,1396,1397, &end # # 17 HIST HD2 97 VAL HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 249,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HD2 98 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 249,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HE1 86 ALA HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 245,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HE1 97 VAL HA 6.40 &rst ixpk= 0, nxpk= 0, iat= 245,1526, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 17 HIST HE1 97 VAL HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 245,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 17 HIST HE1 97 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1530,1531,1532,1534,1535,1536, &end # # 17 HIST HE1 98 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 245,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 18 THR HN 19 GLY HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 18 THR HN 19 GLY HA2 5.60 &rst ixpk= 0, nxpk= 0, iat= 253, 269, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 18 THR HN 19 GLY HA3 5.60 &rst ixpk= 0, nxpk= 0, iat= 253, 270, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 18 THR HN 19 GLY QA 5.05 &rst ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 269, 270, &end # # 18 THR HN 20 GLU- HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 18 THR HN 20 GLU- QB 7.30 &rst ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2= 278, 279, &end # # 18 THR HN 20 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 281, 282, &end # # 18 THR HN 97 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1530,1531,1532,1534,1535,1536, &end # # 18 THR HN 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 18 THR HB 19 GLY HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 18 THR QG2 19 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 259, 260, 261, &end # # 18 THR QG2 20 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 259, 260, 261, &end # # 18 THR QG2 20 GLU- QG 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 259, 260, 261, igr2= 281, 282, &end # # 19 GLY HN 20 GLU- HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 19 GLY HN 20 GLU- QB 6.40 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2= 278, 279, &end # # 19 GLY HN 20 GLU- QG 7.20 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr2= 281, 282, &end # # 19 GLY HN 82 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1287,1288, &end # # 19 GLY HA2 82 LYS+ HG2 8.35 &rst ixpk= 0, nxpk= 0, iat= 269,1281, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 19 GLY HA2 82 LYS+ HG3 8.35 &rst ixpk= 0, nxpk= 0, iat= 269,1282, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 19 GLY HA2 82 LYS+ HD2 7.85 &rst ixpk= 0, nxpk= 0, iat= 269,1284, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 19 GLY HA2 82 LYS+ HD3 7.85 &rst ixpk= 0, nxpk= 0, iat= 269,1285, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 19 GLY HA2 82 LYS+ QE 6.70 &rst ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr2=1287,1288, &end # # 19 GLY HA3 82 LYS+ HG2 8.35 &rst ixpk= 0, nxpk= 0, iat= 270,1281, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 19 GLY HA3 82 LYS+ HG3 8.35 &rst ixpk= 0, nxpk= 0, iat= 270,1282, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 19 GLY HA3 82 LYS+ HD2 7.85 &rst ixpk= 0, nxpk= 0, iat= 270,1284, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 19 GLY HA3 82 LYS+ HD3 7.85 &rst ixpk= 0, nxpk= 0, iat= 270,1285, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 19 GLY HA3 82 LYS+ QE 6.70 &rst ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr2=1287,1288, &end # # 19 GLY QA 82 LYS+ QG 6.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95, igr1= 269, 270, igr2=1281,1282, &end # # 19 GLY QA 82 LYS+ QD 6.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22, igr1= 269, 270, igr2=1284,1285, &end # # 19 GLY QA 82 LYS+ QE 6.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74, igr1= 269, 270, igr2=1287,1288, &end # # 20 GLU- HN 20 GLU- QG 5.80 &rst ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 281, 282, &end # # 20 GLU- HN 21 ARG+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 20 GLU- HA 22 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 276, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 20 GLU- QG 21 ARG+ HN 6.70 &rst ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr1= 281, 282, &end # # 21 ARG+ HN 21 ARG+ HG2 6.60 &rst ixpk= 0, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 21 ARG+ HN 21 ARG+ HG3 6.60 &rst ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 21 ARG+ HN 21 ARG+ HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 21 ARG+ HN 21 ARG+ HD3 6.60 &rst ixpk= 0, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 21 ARG+ HN 22 LYS+ HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 289, 313, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 21 ARG+ HA 21 ARG+ HD2 4.40 &rst ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 21 ARG+ HA 21 ARG+ HD3 4.40 &rst ixpk= 0, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 21 ARG+ HG2 22 LYS+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 21 ARG+ HG3 22 LYS+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 297, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 21 ARG+ QG 22 LYS+ HN 5.03 &rst ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 296, 297, &end # # 21 ARG+ HD2 22 LYS+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 21 ARG+ HD2 23 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 341, 342, 343, &end # # 21 ARG+ HD3 22 LYS+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 21 ARG+ HD3 23 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 341, 342, 343, &end # # 22 LYS+ HN 22 LYS+ HG2 5.80 &rst ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 22 LYS+ HN 22 LYS+ HG3 5.80 &rst ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 22 LYS+ HN 22 LYS+ HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ HN 22 LYS+ HD3 6.60 &rst ixpk= 0, nxpk= 0, iat= 313, 324, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ HN 22 LYS+ QD 5.75 &rst ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2= 323, 324, &end # # 22 LYS+ HN 22 LYS+ HE2 6.60 &rst ixpk= 0, nxpk= 0, iat= 313, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ HN 22 LYS+ HE3 6.60 &rst ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ HN 22 LYS+ QE 6.44 &rst ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr2= 326, 327, &end # # 22 LYS+ HN 23 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 341, 342, 343, &end # # 22 LYS+ HN 27 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 403, 412, &end # # 22 LYS+ HA 22 LYS+ HD2 5.70 &rst ixpk= 0, nxpk= 0, iat= 315, 323, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 22 LYS+ HA 22 LYS+ HD3 5.70 &rst ixpk= 0, nxpk= 0, iat= 315, 324, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 22 LYS+ HA 22 LYS+ QD 5.48 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 323, 324, &end # # 22 LYS+ HA 22 LYS+ HE2 5.60 &rst ixpk= 0, nxpk= 0, iat= 315, 326, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 22 LYS+ HA 22 LYS+ HE3 5.60 &rst ixpk= 0, nxpk= 0, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 22 LYS+ HA 23 THR QG2 7.10 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 341, 342, 343, &end # # 22 LYS+ HA 26 ASP- HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 22 LYS+ HA 26 ASP- HB2 6.40 &rst ixpk= 0, nxpk= 0, iat= 315, 387, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 22 LYS+ HA 26 ASP- HB3 6.40 &rst ixpk= 0, nxpk= 0, iat= 315, 388, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 22 LYS+ HA 26 ASP- QB 6.09 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, igr2= 387, 388, &end # # 22 LYS+ HA 27 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 315, 395, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ HA 27 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 403, 412, &end # # 22 LYS+ HB2 22 LYS+ HE2 5.90 &rst ixpk= 0, nxpk= 0, iat= 317, 326, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 LYS+ HB2 22 LYS+ HE3 5.90 &rst ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 LYS+ HB2 23 THR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 317, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 LYS+ HB2 27 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 403, 412, &end # # 22 LYS+ HB3 22 LYS+ HE2 5.90 &rst ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 LYS+ HB3 22 LYS+ HE3 5.90 &rst ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 LYS+ HB3 23 THR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 318, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 LYS+ HB3 27 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 403, 412, &end # # 22 LYS+ QB 22 LYS+ QD 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1= 317, 318, igr2= 323, 324, &end # # 22 LYS+ QB 22 LYS+ QE 5.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 317, 318, igr2= 326, 327, &end # # 22 LYS+ QB 23 THR HN 5.79 &rst ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 317, 318, &end # # 22 LYS+ QB 27 TYR QE 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1= 317, 318, igr2= 405, 410, &end # # 22 LYS+ HG2 23 THR HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 22 LYS+ HG3 23 THR HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 22 LYS+ QG 27 TYR QD 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1= 320, 321, igr2= 403, 412, &end # # 22 LYS+ HD2 23 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ HD3 23 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ QD 23 THR HN 6.01 &rst ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 323, 324, &end # # 22 LYS+ HE2 23 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 326, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 22 LYS+ HE3 23 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 23 THR HN 24 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 23 THR HN 25 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 335, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 23 THR HN 26 ASP- HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 23 THR HN 26 ASP- HA 6.30 &rst ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 23 THR HN 26 ASP- HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 335, 387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 23 THR HN 26 ASP- HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 335, 388, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 23 THR HN 27 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 403, 412, &end # # 23 THR HN 27 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 405, 410, &end # # 23 THR HA 25 LYS+ HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 23 THR HB 24 ASP- HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 23 THR HB 25 LYS+ HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 23 THR HB 26 ASP- HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 339, 383, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 23 THR QG2 24 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 341, 342, 343, &end # # 24 ASP- HN 25 LYS+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 24 ASP- HN 26 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 24 ASP- HA 26 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 351, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 24 ASP- HA 27 TYR HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 351, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 ASP- HA 27 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 405, 410, &end # # 24 ASP- HA 28 LEU HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 351, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 24 ASP- HB2 25 LYS+ HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 24 ASP- HB3 25 LYS+ HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 25 LYS+ HN 25 LYS+ HG2 4.80 &rst ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 25 LYS+ HN 25 LYS+ HG3 4.80 &rst ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 25 LYS+ HN 25 LYS+ QG 4.57 &rst ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 368, 369, &end # # 25 LYS+ HN 25 LYS+ HD2 6.20 &rst ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 25 LYS+ HN 25 LYS+ HD3 6.20 &rst ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 25 LYS+ HN 25 LYS+ QD 5.75 &rst ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2= 371, 372, &end # # 25 LYS+ HN 25 LYS+ QE 7.30 &rst ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2= 374, 375, &end # # 25 LYS+ HN 26 ASP- HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 25 LYS+ HN 26 ASP- QB 5.98 &rst ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr2= 387, 388, &end # # 25 LYS+ HN 27 TYR HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 25 LYS+ HN 28 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 361, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 25 LYS+ HA 25 LYS+ HD2 5.60 &rst ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 25 LYS+ HA 25 LYS+ HD3 5.60 &rst ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 25 LYS+ HA 25 LYS+ QD 5.19 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2= 371, 372, &end # # 25 LYS+ HA 25 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 374, 375, &end # # 25 LYS+ HA 27 TYR HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 25 LYS+ HA 28 LEU HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 25 LYS+ HB2 25 LYS+ QE 4.90 &rst ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 374, 375, &end # # 25 LYS+ HB2 26 ASP- HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 365, 383, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 25 LYS+ HB3 25 LYS+ QE 4.90 &rst ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 374, 375, &end # # 25 LYS+ HB3 26 ASP- HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 25 LYS+ QB 26 ASP- HN 5.03 &rst ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 365, 366, &end # # 25 LYS+ HG2 26 ASP- HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 25 LYS+ HG3 26 ASP- HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 25 LYS+ QG 26 ASP- HN 5.79 &rst ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 368, 369, &end # # 25 LYS+ HD2 26 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 25 LYS+ HD3 26 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 26 ASP- HN 27 TYR HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 26 ASP- HN 27 TYR HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 383, 399, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 26 ASP- HN 27 TYR HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 26 ASP- HN 27 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 403, 412, &end # # 26 ASP- HN 28 LEU HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 383, 416, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 26 ASP- HB2 27 TYR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 26 ASP- HB2 27 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 405, 410, &end # # 26 ASP- HB2 28 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 387, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 26 ASP- HB3 27 TYR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 26 ASP- HB3 27 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 405, 410, &end # # 26 ASP- HB3 28 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 388, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 27 TYR HN 27 TYR QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 405, 410, &end # # 27 TYR HN 28 LEU HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 395, 416, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 27 TYR HN 28 LEU HB2 6.20 &rst ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 27 TYR HN 28 LEU HB3 6.20 &rst ixpk= 0, nxpk= 0, iat= 395, 421, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 27 TYR HN 28 LEU QB 5.94 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr2= 420, 421, &end # # 27 TYR HN 30 GLN QE2 7.47 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr2= 454, 455, &end # # 27 TYR HN 32 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 492, 493, 494, &end # # 27 TYR HN 32 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 496, 497, 498, &end # # 27 TYR HA 30 GLN HE21 6.50 &rst ixpk= 0, nxpk= 0, iat= 397, 454, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 27 TYR HA 30 GLN HE22 6.50 &rst ixpk= 0, nxpk= 0, iat= 397, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 27 TYR HA 30 GLN QE2 6.24 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2= 454, 455, &end # # 27 TYR HA 32 LEU QQD 8.67 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19, igr2= 496, 497, 498, 492, 493, 494, &end # # 27 TYR HA 71 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1108,1109,1110,1104,1105,1106, &end # # 27 TYR HB2 28 LEU HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 27 TYR HB2 30 GLN HE21 8.35 &rst ixpk= 0, nxpk= 0, iat= 399, 454, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 27 TYR HB2 30 GLN HE22 8.35 &rst ixpk= 0, nxpk= 0, iat= 399, 455, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 27 TYR HB2 32 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 492, 493, 494, &end # # 27 TYR HB2 32 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 496, 497, 498, &end # # 27 TYR HB3 28 LEU HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 400, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 27 TYR HB3 30 GLN HE21 8.35 &rst ixpk= 0, nxpk= 0, iat= 400, 454, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 27 TYR HB3 30 GLN HE22 8.35 &rst ixpk= 0, nxpk= 0, iat= 400, 455, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 27 TYR HB3 32 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 492, 493, 494, &end # # 27 TYR HB3 32 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 496, 497, 498, &end # # 27 TYR QB 30 GLN QE2 7.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86, igr1= 399, 400, igr2= 454, 455, &end # # 27 TYR QB 71 LEU QQD 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1= 399, 400, igr2=1108,1109,1110,1104,1105,1106, &end # # 27 TYR QD 28 LEU HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 403, 412, &end # # 27 TYR QD 32 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 403, 412, igr2= 496, 497, 498, 492, 493, 494, &end # # 27 TYR QD 69 THR QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 403, 412, igr2=1073,1074,1075, &end # # 27 TYR QD 71 LEU QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 403, 412, igr2=1104,1105,1106, &end # # 27 TYR QD 71 LEU QD2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 403, 412, igr2=1108,1109,1110, &end # # 27 TYR QD 97 VAL QQG 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1= 403, 412, igr2=1530,1531,1532,1534,1535,1536, &end # # 27 TYR QE 30 GLN QG 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1= 405, 410, igr2= 449, 450, &end # # 27 TYR QE 30 GLN HE21 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 405, 410, &end # # 27 TYR QE 30 GLN HE22 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 405, 410, &end # # 27 TYR QE 32 LEU QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 405, 410, igr2= 492, 493, 494, &end # # 27 TYR QE 32 LEU QD2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 405, 410, igr2= 496, 497, 498, &end # # 27 TYR QE 69 THR QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 405, 410, igr2=1073,1074,1075, &end # # 27 TYR QE 71 LEU QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 405, 410, igr2=1104,1105,1106, &end # # 27 TYR QE 71 LEU QD2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 405, 410, igr2=1108,1109,1110, &end # # 27 TYR QE 97 VAL QQG 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1= 405, 410, igr2=1530,1531,1532,1534,1535,1536, &end # # 27 TYR QE 99 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 405, 410, igr2=1560,1561,1562,1556,1557,1558, &end # # 28 LEU HN 28 LEU HG 4.70 &rst ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 28 LEU HN 28 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 425, 426, 427, &end # # 28 LEU HN 28 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 429, 430, 431, &end # # 28 LEU HN 29 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 28 LEU HN 30 GLN HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 28 LEU HA 28 LEU HG 4.20 &rst ixpk= 0, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 28 LEU HA 28 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 425, 426, 427, &end # # 28 LEU HA 28 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 429, 430, 431, &end # # 28 LEU HA 30 GLN HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 28 LEU HA 143 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 418,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 28 LEU HB2 29 GLY HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 28 LEU HB2 30 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 LEU HB3 29 GLY HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 28 LEU HB3 30 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 LEU QB 29 GLY HN 5.73 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 420, 421, &end # # 28 LEU QB 30 GLN HN 5.79 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 420, 421, &end # # 28 LEU HG 29 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 28 LEU QD1 29 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 425, 426, 427, &end # # 28 LEU QD1 142 ASP- HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 425, 426, 427, &end # # 28 LEU QD1 143 GLY HA2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 425, 426, 427, &end # # 28 LEU QD1 143 GLY HA3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 425, 426, 427, &end # # 28 LEU QD2 29 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 429, 430, 431, &end # # 28 LEU QD2 142 ASP- HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 429, 430, 431, &end # # 28 LEU QD2 143 GLY HA2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 429, 430, 431, &end # # 28 LEU QD2 143 GLY HA3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 429, 430, 431, &end # # 28 LEU QQD 30 GLN HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 429, 430, 431, 425, 426, 427, &end # # 28 LEU QQD 142 ASP- HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 429, 430, 431, 425, 426, 427, &end # # 28 LEU QQD 142 ASP- HA 7.33 &rst ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38, igr1= 429, 430, 431, 425, 426, 427, &end # # 28 LEU QQD 143 GLY HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 429, 430, 431, 425, 426, 427, &end # # 28 LEU QQD 143 GLY QA 7.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36, igr1= 429, 430, 431, 425, 426, 427, igr2=2245,2246, &end # # 29 GLY HN 30 GLN HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 29 GLY HN 30 GLN QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 446, 447, &end # # 29 GLY HN 141 PRO HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 435,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 29 GLY HN 141 PRO HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 435,2224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 29 GLY HN 141 PRO HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 435,2225, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 29 GLY HN 141 PRO QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2221,2222, &end # # 29 GLY HN 143 GLY QA 7.48 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2245,2246, &end # # 29 GLY HA2 141 PRO HB2 8.35 &rst ixpk= 0, nxpk= 0, iat= 437,2224, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 29 GLY HA2 141 PRO HB3 8.35 &rst ixpk= 0, nxpk= 0, iat= 437,2225, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 29 GLY HA3 141 PRO HB2 8.35 &rst ixpk= 0, nxpk= 0, iat= 438,2224, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 29 GLY HA3 141 PRO HB3 8.35 &rst ixpk= 0, nxpk= 0, iat= 438,2225, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 29 GLY QA 141 PRO QB 7.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85, igr1= 437, 438, igr2=2224,2225, &end # # 30 GLN HN 30 GLN QG 6.30 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2= 449, 450, &end # # 30 GLN HN 30 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HN 30 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat= 442, 455, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HN 31 TRP HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 30 GLN HN 32 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 492, 493, 494, &end # # 30 GLN HN 32 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 496, 497, 498, &end # # 30 GLN HN 141 PRO HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 442,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HN 141 PRO HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 442,2224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HN 141 PRO HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 442,2225, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HN 141 PRO QB 6.34 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr2=2224,2225, &end # # 30 GLN HA 30 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HA 30 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HA 30 GLN QE2 6.30 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2= 454, 455, &end # # 30 GLN HA 31 TRP HD1 5.90 &rst ixpk= 0, nxpk= 0, iat= 444, 467, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 30 GLN QB 30 GLN HE21 6.70 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr1= 446, 447, &end # # 30 GLN QB 30 GLN HE22 6.70 &rst ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr1= 446, 447, &end # # 30 GLN QB 32 LEU QQD 10.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89, igr1= 446, 447, igr2= 496, 497, 498, 492, 493, 494, &end # # 30 GLN QB 69 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 446, 447, &end # # 30 GLN QG 31 TRP HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 449, 450, &end # # 30 GLN QG 69 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 449, 450, &end # # 30 GLN QG 69 THR HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 449, 450, &end # # 30 GLN QG 69 THR HG1 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 449, 450, &end # # 30 GLN HE21 32 LEU QD1 9.33 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70, igr2= 492, 493, 494, &end # # 30 GLN HE21 32 LEU QD2 9.33 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70, igr2= 496, 497, 498, &end # # 30 GLN HE21 69 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 454,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HE21 69 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1073,1074,1075, &end # # 30 GLN HE22 32 LEU QD1 9.33 &rst ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70, igr2= 492, 493, 494, &end # # 30 GLN HE22 32 LEU QD2 9.33 &rst ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70, igr2= 496, 497, 498, &end # # 30 GLN HE22 69 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 455,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 30 GLN HE22 69 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1073,1074,1075, &end # # 30 GLN QE2 32 LEU QQD 7.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41, igr1= 454, 455, igr2= 496, 497, 498, 492, 493, 494, &end # # 31 TRP HN 31 TRP HD1 5.40 &rst ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 31 TRP HN 31 TRP HE3 6.60 &rst ixpk= 0, nxpk= 0, iat= 459, 478, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HN 31 TRP HE1 6.60 &rst ixpk= 0, nxpk= 0, iat= 459, 469, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HN 32 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HN 32 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 492, 493, 494, &end # # 31 TRP HN 32 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 496, 497, 498, &end # # 31 TRP HN 68 LEU QB 7.28 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=1052,1053, &end # # 31 TRP HN 68 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1061,1062,1063,1057,1058,1059, &end # # 31 TRP HA 31 TRP HD1 6.60 &rst ixpk= 0, nxpk= 0, iat= 461, 467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HA 31 TRP HE1 6.00 &rst ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 31 TRP HB2 32 LEU HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 31 TRP HB2 68 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1057,1058,1059, &end # # 31 TRP HB2 68 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1061,1062,1063, &end # # 31 TRP HB2 69 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 463,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HB2 138 LEU QD1 10.74 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=2181,2182,2183, &end # # 31 TRP HB2 138 LEU QD2 10.74 &rst ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=2185,2186,2187, &end # # 31 TRP HB3 32 LEU HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 31 TRP HB3 68 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1057,1058,1059, &end # # 31 TRP HB3 68 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1061,1062,1063, &end # # 31 TRP HB3 69 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 464,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HB3 138 LEU QD1 10.74 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=2181,2182,2183, &end # # 31 TRP HB3 138 LEU QD2 10.74 &rst ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=2185,2186,2187, &end # # 31 TRP QB 68 LEU QB 8.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02, igr1= 463, 464, igr2=1052,1053, &end # # 31 TRP QB 138 LEU QQD 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31, igr1= 463, 464, igr2=2185,2186,2187,2181,2182,2183, &end # # 31 TRP HD1 66 PRO HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 467,1029, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HD1 66 PRO HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 467,1030, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HD1 66 PRO QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1026,1027, &end # # 31 TRP HD1 67 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 467,1036, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HD1 68 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 467,1048, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HD1 69 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 467,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HD1 141 PRO QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2221,2222, &end # # 31 TRP HE3 32 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE3 68 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1061,1062,1063,1057,1058,1059, &end # # 31 TRP HE3 138 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2176,2177, &end # # 31 TRP HE3 138 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=2185,2186,2187,2181,2182,2183, &end # # 31 TRP HE3 140 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 478,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE3 146 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=2298,2299,2300,2294,2295,2296, &end # # 31 TRP HE3 165 HIST HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 478,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE3 165 HIST HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 478,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE3 169 TYR QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2654,2655, &end # # 31 TRP HE1 66 PRO HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,1029, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 66 PRO HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,1030, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 66 PRO QB 6.15 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=1029,1030, &end # # 31 TRP HE1 66 PRO QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1026,1027, &end # # 31 TRP HE1 66 PRO HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,1023, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 66 PRO HD3 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,1024, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 67 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,1036, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 138 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=2185,2186,2187,2181,2182,2183, &end # # 31 TRP HE1 140 GLY QA 7.60 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2212,2213, &end # # 31 TRP HE1 141 PRO HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,2224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 141 PRO HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,2225, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 141 PRO QB 6.34 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr2=2224,2225, &end # # 31 TRP HE1 141 PRO QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2221,2222, &end # # 31 TRP HE1 141 PRO HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,2218, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 141 PRO HD3 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,2219, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 141 PRO QD 6.44 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr2=2218,2219, &end # # 31 TRP HE1 166 MET HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,2597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 169 TYR HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,2654, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 169 TYR HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 469,2655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HE1 169 TYR QD 8.20 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70, igr2=2658,2667, &end # # 31 TRP HE1 169 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2660,2665, &end # # 31 TRP HZ3 138 LEU HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 476,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ3 138 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2176,2177, &end # # 31 TRP HZ3 138 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2181,2182,2183, &end # # 31 TRP HZ3 138 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2185,2186,2187, &end # # 31 TRP HZ3 146 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2289,2290, &end # # 31 TRP HZ3 146 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2294,2295,2296, &end # # 31 TRP HZ3 146 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2298,2299,2300, &end # # 31 TRP HZ3 165 HIST HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 476,2578, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ3 165 HIST HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 476,2580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ3 165 HIST HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 476,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ3 165 HIST HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 476,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ3 166 MET HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 476,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ2 138 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2181,2182,2183, &end # # 31 TRP HZ2 138 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2185,2186,2187, &end # # 31 TRP HZ2 141 PRO QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2221,2222, &end # # 31 TRP HZ2 169 TYR HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 472,2652, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ2 169 TYR HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 472,2654, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HZ2 169 TYR HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 472,2655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HH2 138 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=2185,2186,2187,2181,2182,2183, &end # # 31 TRP HH2 141 PRO QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2221,2222, &end # # 31 TRP HH2 146 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=2298,2299,2300,2294,2295,2296, &end # # 31 TRP HH2 165 HIST HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 474,2578, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HH2 165 HIST HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 474,2580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HH2 165 HIST HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 474,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HH2 165 HIST HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 474,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 31 TRP HH2 166 MET HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 474,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HN 32 LEU QD1 6.90 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 492, 493, 494, &end # # 32 LEU HN 32 LEU QD2 6.90 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 496, 497, 498, &end # # 32 LEU HN 32 LEU QQD 6.57 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36, igr2= 496, 497, 498, 492, 493, 494, &end # # 32 LEU HN 33 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HN 69 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 483,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HN 138 LEU HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 483,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HN 138 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=2185,2186,2187,2181,2182,2183, &end # # 32 LEU HN 139 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 483,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HN 139 ILE HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 483,2195, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HN 139 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2197,2198,2199, &end # # 32 LEU HN 139 ILE QG1 7.48 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2201,2202, &end # # 32 LEU HN 139 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2204,2205,2206, &end # # 32 LEU HA 32 LEU QD1 6.90 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 492, 493, 494, &end # # 32 LEU HA 32 LEU QD2 6.90 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 496, 497, 498, &end # # 32 LEU HA 69 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 485,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HA 69 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 485,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HA 69 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1073,1074,1075, &end # # 32 LEU HA 71 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1108,1109,1110,1104,1105,1106, &end # # 32 LEU HB2 33 LEU HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 LEU HB2 71 LEU QD1 9.35 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1104,1105,1106, &end # # 32 LEU HB2 71 LEU QD2 9.35 &rst ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1108,1109,1110, &end # # 32 LEU HB2 139 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 487,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU HB3 33 LEU HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 LEU HB3 71 LEU QD1 9.35 &rst ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1104,1105,1106, &end # # 32 LEU HB3 71 LEU QD2 9.35 &rst ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1108,1109,1110, &end # # 32 LEU HB3 139 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 488,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 32 LEU QB 33 LEU HN 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1= 487, 488, &end # # 32 LEU QB 34 ILE HA 7.48 &rst ixpk= 0, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 487, 488, &end # # 32 LEU QB 71 LEU QQD 7.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41, igr1= 487, 488, igr2=1108,1109,1110,1104,1105,1106, &end # # 32 LEU QB 139 ILE HB 6.48 &rst ixpk= 0, nxpk= 0, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 487, 488, &end # # 32 LEU QB 139 ILE QG1 8.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02, igr1= 487, 488, igr2=2201,2202, &end # # 32 LEU QB 140 GLY HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 487, 488, &end # # 32 LEU QD1 33 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 492, 493, 494, &end # # 32 LEU QD1 70 PRO HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 492, 493, 494, &end # # 32 LEU QD1 71 LEU QD1 11.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42, igr1= 492, 493, 494, igr2=1104,1105,1106, &end # # 32 LEU QD1 71 LEU QD2 11.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42, igr1= 492, 493, 494, igr2=1108,1109,1110, &end # # 32 LEU QD1 139 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 492, 493, 494, &end # # 32 LEU QD1 139 ILE HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 492, 493, 494, &end # # 32 LEU QD1 139 ILE HG12 8.95 &rst ixpk= 0, nxpk= 0, iat= -1,2201, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25, igr1= 492, 493, 494, &end # # 32 LEU QD1 139 ILE HG13 8.95 &rst ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25, igr1= 492, 493, 494, &end # # 32 LEU QD2 33 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 496, 497, 498, &end # # 32 LEU QD2 70 PRO HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 496, 497, 498, &end # # 32 LEU QD2 71 LEU QD1 11.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42, igr1= 496, 497, 498, igr2=1104,1105,1106, &end # # 32 LEU QD2 71 LEU QD2 11.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42, igr1= 496, 497, 498, igr2=1108,1109,1110, &end # # 32 LEU QD2 139 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 496, 497, 498, &end # # 32 LEU QD2 139 ILE HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 496, 497, 498, &end # # 32 LEU QD2 139 ILE HG12 8.95 &rst ixpk= 0, nxpk= 0, iat= -1,2201, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25, igr1= 496, 497, 498, &end # # 32 LEU QD2 139 ILE HG13 8.95 &rst ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25, igr1= 496, 497, 498, &end # # 32 LEU QQD 34 ILE QD1 9.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.33, r4=15.83, igr1= 496, 497, 498, 492, 493, 494, igr2= 534, 535, 536, &end # # 32 LEU QQD 69 THR HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 496, 497, 498, 492, 493, 494, &end # # 32 LEU QQD 69 THR HB 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 496, 497, 498, 492, 493, 494, &end # # 32 LEU QQD 69 THR QG2 9.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.85, r4=15.35, igr1= 496, 497, 498, 492, 493, 494, igr2=1073,1074,1075, &end # # 32 LEU QQD 69 THR HG1 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 496, 497, 498, 492, 493, 494, &end # # 32 LEU QQD 71 LEU QQD 8.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.99, r4=16.49, igr1= 496, 497, 498, 492, 493, 494, igr2=1108,1109,1110,1104,1105,1106, &end # # 32 LEU QQD 139 ILE QG1 7.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18, igr1= 496, 497, 498, 492, 493, 494, igr2=2201,2202, &end # # 33 LEU HN 33 LEU QB 3.90 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 506, 507, &end # # 33 LEU HN 33 LEU QD1 6.50 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2= 511, 512, 513, &end # # 33 LEU HN 33 LEU QD2 6.50 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2= 515, 516, 517, &end # # 33 LEU HN 33 LEU QQD 6.10 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72, igr2= 515, 516, 517, 511, 512, 513, &end # # 33 LEU HN 34 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HN 34 ILE HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 502, 525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 LEU HN 34 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 527, 528, 529, &end # # 33 LEU HN 34 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 534, 535, 536, &end # # 33 LEU HN 69 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 502,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HN 69 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 502,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HN 70 PRO HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 502,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HN 70 PRO QB 5.28 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1088,1089, &end # # 33 LEU HN 71 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 502,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HN 71 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1108,1109,1110,1104,1105,1106, &end # # 33 LEU HN 136 MET QE 7.50 &rst ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr2=2145,2146,2147, &end # # 33 LEU HN 139 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 502,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HA 33 LEU QD1 6.80 &rst ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2= 511, 512, 513, &end # # 33 LEU HA 33 LEU QD2 6.80 &rst ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2= 515, 516, 517, &end # # 33 LEU HA 34 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 534, 535, 536, &end # # 33 LEU HA 136 MET HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 504,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HA 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 33 LEU HA 139 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 504,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HA 162 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2548,2549,2550, &end # # 33 LEU HB2 34 ILE HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 33 LEU HB2 68 LEU HG 5.40 &rst ixpk= 0, nxpk= 0, iat= 506,1055, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 33 LEU HB2 70 PRO HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 506,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HB2 71 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 506,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HB2 138 LEU QD1 10.34 &rst ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92, igr2=2181,2182,2183, &end # # 33 LEU HB2 138 LEU QD2 10.34 &rst ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92, igr2=2185,2186,2187, &end # # 33 LEU HB3 34 ILE HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 33 LEU HB3 68 LEU HG 5.40 &rst ixpk= 0, nxpk= 0, iat= 507,1055, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 33 LEU HB3 70 PRO HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 507,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HB3 71 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 507,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 33 LEU HB3 138 LEU QD1 10.34 &rst ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92, igr2=2181,2182,2183, &end # # 33 LEU HB3 138 LEU QD2 10.34 &rst ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92, igr2=2185,2186,2187, &end # # 33 LEU QB 34 ILE HN 6.14 &rst ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 506, 507, &end # # 33 LEU QB 69 THR HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 506, 507, &end # # 33 LEU QB 138 LEU QQD 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.83, r4=13.33, igr1= 506, 507, igr2=2185,2186,2187,2181,2182,2183, &end # # 33 LEU QD1 34 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 511, 512, 513, &end # # 33 LEU QD1 136 MET HB2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 511, 512, 513, &end # # 33 LEU QD1 136 MET HB3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 511, 512, 513, &end # # 33 LEU QD1 136 MET HG2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 511, 512, 513, &end # # 33 LEU QD1 136 MET HG3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 511, 512, 513, &end # # 33 LEU QD1 158 ILE QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 511, 512, 513, igr2=2491,2492,2493, &end # # 33 LEU QD2 34 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 515, 516, 517, &end # # 33 LEU QD2 136 MET HB2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 515, 516, 517, &end # # 33 LEU QD2 136 MET HB3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 515, 516, 517, &end # # 33 LEU QD2 136 MET HG2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 515, 516, 517, &end # # 33 LEU QD2 136 MET HG3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1= 515, 516, 517, &end # # 33 LEU QD2 158 ILE QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 515, 516, 517, igr2=2491,2492,2493, &end # # 33 LEU QQD 52 MET HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 52 MET QG 10.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89, igr1= 515, 516, 517, 511, 512, 513, igr2= 809, 810, &end # # 33 LEU QQD 55 VAL HB 9.17 &rst ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 55 VAL QQG 10.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=18.95, r4=19.45, igr1= 515, 516, 517, 511, 512, 513, igr2= 861, 862, 863, 865, 866, 867, &end # # 33 LEU QQD 56 VAL HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 68 LEU QB 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1= 515, 516, 517, 511, 512, 513, igr2=1052,1053, &end # # 33 LEU QQD 68 LEU HG 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 69 THR HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 70 PRO HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 136 MET HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 136 MET QB 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31, igr1= 515, 516, 517, 511, 512, 513, igr2=2138,2139, &end # # 33 LEU QQD 136 MET QG 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31, igr1= 515, 516, 517, 511, 512, 513, igr2=2141,2142, &end # # 33 LEU QQD 136 MET QE 7.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.09, r4=12.59, igr1= 515, 516, 517, 511, 512, 513, igr2=2145,2146,2147, &end # # 33 LEU QQD 138 LEU HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 515, 516, 517, 511, 512, 513, &end # # 33 LEU QQD 138 LEU QQD 11.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=20.06, r4=20.56, igr1= 515, 516, 517, 511, 512, 513, igr2=2185,2186,2187,2181,2182,2183, &end # # 33 LEU QQD 149 PHE QD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 515, 516, 517, 511, 512, 513, igr2=2345,2353, &end # # 34 ILE HN 34 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 531, 532, &end # # 34 ILE HN 34 ILE QD1 7.10 &rst ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 534, 535, 536, &end # # 34 ILE HN 35 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 521, 540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 71 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1108,1109,1110,1104,1105,1106, &end # # 34 ILE HN 136 MET HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 136 MET HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2138, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 136 MET HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2139, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 136 MET HG2 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 136 MET HG3 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 34 ILE HN 137 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 137 TYR HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2155, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 137 TYR HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 521,2156, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HN 137 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2159,2168, &end # # 34 ILE HA 70 PRO HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 523,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HA 71 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 523,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HA 71 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1104,1105,1106, &end # # 34 ILE HA 71 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1108,1109,1110, &end # # 34 ILE HA 72 PHE HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 523,1116, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HA 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 34 ILE HA 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 34 ILE HB 35 TYR HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 34 ILE HB 113 TYR HH 6.60 &rst ixpk= 0, nxpk= 0, iat= 525,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HB 137 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 525,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 34 ILE HB 137 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2159,2168, &end # # 34 ILE QG2 35 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 35 TYR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 36 PHE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 36 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 527, 528, 529, igr2= 569, 577, &end # # 34 ILE QG2 36 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 527, 528, 529, igr2= 571, 575, &end # # 34 ILE QG2 36 PHE HZ 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 71 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 71 LEU HG 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 72 PHE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 73 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 73 ILE QD1 7.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75, igr1= 527, 528, 529, igr2=1147,1148,1149, &end # # 34 ILE QG2 113 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 527, 528, 529, igr2=1770,1775, &end # # 34 ILE QG2 136 MET HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 137 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 137 TYR HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 137 TYR HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 137 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 527, 528, 529, igr2=2159,2168, &end # # 34 ILE QG2 139 ILE HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 527, 528, 529, &end # # 34 ILE QG2 139 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 527, 528, 529, igr2=2204,2205,2206, &end # # 34 ILE QG1 35 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 531, 532, &end # # 34 ILE QG1 36 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1= 531, 532, igr2= 571, 575, &end # # 34 ILE QG1 73 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 531, 532, &end # # 34 ILE QG1 137 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 531, 532, &end # # 34 ILE QG1 138 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 531, 532, &end # # 34 ILE QG1 139 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 531, 532, igr2=2204,2205,2206, &end # # 34 ILE QD1 35 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 534, 535, 536, &end # # 34 ILE QD1 36 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 534, 535, 536, igr2= 571, 575, &end # # 34 ILE QD1 36 PHE HZ 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 534, 535, 536, &end # # 34 ILE QD1 73 ILE QD1 6.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73, igr1= 534, 535, 536, igr2=1147,1148,1149, &end # # 34 ILE QD1 113 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 534, 535, 536, igr2=1768,1777, &end # # 34 ILE QD1 113 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 534, 535, 536, igr2=1770,1775, &end # # 34 ILE QD1 113 TYR HH 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 534, 535, 536, &end # # 34 ILE QD1 137 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 534, 535, 536, &end # # 34 ILE QD1 137 TYR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 534, 535, 536, &end # # 34 ILE QD1 137 TYR QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1= 534, 535, 536, igr2=2155,2156, &end # # 34 ILE QD1 137 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 534, 535, 536, igr2=2159,2168, &end # # 34 ILE QD1 139 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 534, 535, 536, &end # # 34 ILE QD1 139 ILE HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 534, 535, 536, &end # # 34 ILE QD1 139 ILE QG1 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1= 534, 535, 536, igr2=2201,2202, &end # # 34 ILE QD1 139 ILE QD1 8.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.83, r4=12.33, igr1= 534, 535, 536, igr2=2204,2205,2206, &end # # 35 TYR HN 36 PHE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 70 PRO HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 540,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 71 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 540,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 71 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1099,1100, &end # # 35 TYR HN 71 LEU HG 6.60 &rst ixpk= 0, nxpk= 0, iat= 540,1102, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 71 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1108,1109,1110,1104,1105,1106, &end # # 35 TYR HN 72 PHE HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 540,1116, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 72 PHE HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 540,1118, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 72 PHE HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 540,1119, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 72 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1122,1130, &end # # 35 TYR HN 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 35 TYR HN 73 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 540,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HN 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 35 TYR HN 136 MET QE 6.40 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2=2145,2146,2147, &end # # 35 TYR HA 36 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 569, 577, &end # # 35 TYR HA 136 MET HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 542,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HA 136 MET HG2 6.60 &rst ixpk= 0, nxpk= 0, iat= 542,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HA 136 MET HG3 6.60 &rst ixpk= 0, nxpk= 0, iat= 542,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HA 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 35 TYR HA 137 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 542,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HB2 52 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 813, 814, 815, &end # # 35 TYR HB2 136 MET HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 544,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HB2 136 MET HG2 7.85 &rst ixpk= 0, nxpk= 0, iat= 544,2141, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 35 TYR HB2 136 MET HG3 7.85 &rst ixpk= 0, nxpk= 0, iat= 544,2142, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 35 TYR HB3 52 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 813, 814, 815, &end # # 35 TYR HB3 136 MET HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 545,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HB3 136 MET HG2 7.85 &rst ixpk= 0, nxpk= 0, iat= 545,2141, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 35 TYR HB3 136 MET HG3 7.85 &rst ixpk= 0, nxpk= 0, iat= 545,2142, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, &end # # 35 TYR QB 35 TYR HH 7.48 &rst ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 544, 545, &end # # 35 TYR QB 136 MET QG 6.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 544, 545, igr2=2141,2142, &end # # 35 TYR QE 35 TYR HH 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 550, 555, &end # # 35 TYR HH 44 VAL HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 553, 680, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HH 44 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 682, 683, 684, &end # # 35 TYR HH 44 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 686, 687, 688, &end # # 35 TYR HH 45 CYG HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 553, 694, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HH 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 35 TYR HH 132 HIS HE1 6.60 &rst ixpk= 0, nxpk= 0, iat= 553,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 35 TYR HH 134 ILE QG1 7.48 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2106,2107, &end # # 35 TYR HH 134 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2109,2110,2111, &end # # 36 PHE HN 36 PHE QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 571, 575, &end # # 36 PHE HN 36 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 561, 573, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 36 PHE HN 136 MET HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 561,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 36 PHE HA 72 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1122,1130, &end # # 36 PHE HA 72 PHE QE 6.10 &rst ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1124,1128, &end # # 36 PHE HA 73 ILE HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 563,1134, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 36 PHE HA 73 ILE HB 6.20 &rst ixpk= 0, nxpk= 0, iat= 563,1138, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 36 PHE HA 73 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1140,1141,1142, &end # # 36 PHE HA 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 36 PHE HA 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 36 PHE HB2 37 GLY HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 565, 581, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 36 PHE HB2 75 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1170,1171,1172, &end # # 36 PHE HB2 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 36 PHE HB2 115 VAL QG1 9.35 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1811,1812,1813, &end # # 36 PHE HB2 115 VAL QG2 9.35 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1815,1816,1817, &end # # 36 PHE HB3 37 GLY HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 566, 581, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 36 PHE HB3 75 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1170,1171,1172, &end # # 36 PHE HB3 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 36 PHE HB3 115 VAL QG1 9.35 &rst ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1811,1812,1813, &end # # 36 PHE HB3 115 VAL QG2 9.35 &rst ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=1815,1816,1817, &end # # 36 PHE QB 115 VAL QQG 8.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10, igr1= 565, 566, igr2=1811,1812,1813,1815,1816,1817, &end # # 36 PHE QD 73 ILE HB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 569, 577, &end # # 36 PHE QD 73 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 569, 577, igr2=1140,1141,1142, &end # # 36 PHE QD 73 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 569, 577, igr2=1147,1148,1149, &end # # 36 PHE QD 109 VAL HB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 569, 577, &end # # 36 PHE QD 110 ALA HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 569, 577, &end # # 36 PHE QD 115 VAL HB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 569, 577, &end # # 36 PHE QD 115 VAL QG1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 569, 577, igr2=1811,1812,1813, &end # # 36 PHE QD 115 VAL QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 569, 577, igr2=1815,1816,1817, &end # # 36 PHE QE 73 ILE HB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 571, 575, &end # # 36 PHE QE 73 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 571, 575, igr2=1140,1141,1142, &end # # 36 PHE QE 73 ILE QG1 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1= 571, 575, igr2=1144,1145, &end # # 36 PHE QE 73 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 571, 575, igr2=1147,1148,1149, &end # # 36 PHE QE 75 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 571, 575, igr2=1177,1178,1179, &end # # 36 PHE QE 106 VAL HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 571, 575, &end # # 36 PHE QE 109 VAL HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 571, 575, &end # # 36 PHE QE 109 VAL HB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 571, 575, &end # # 36 PHE QE 109 VAL QG1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 571, 575, igr2=1706,1707,1708, &end # # 36 PHE QE 109 VAL QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 571, 575, igr2=1710,1711,1712, &end # # 36 PHE QE 110 ALA HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 571, 575, &end # # 36 PHE QE 110 ALA HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 571, 575, &end # # 36 PHE QE 113 TYR QB 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1= 571, 575, igr2=1764,1765, &end # # 36 PHE QE 113 TYR QD 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1= 571, 575, igr2=1768,1777, &end # # 36 PHE QE 115 VAL HB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 571, 575, &end # # 36 PHE QE 115 VAL QG1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 571, 575, igr2=1811,1812,1813, &end # # 36 PHE QE 115 VAL QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 571, 575, igr2=1815,1816,1817, &end # # 36 PHE QE 137 TYR QD 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1= 571, 575, igr2=2159,2168, &end # # 36 PHE QE 137 TYR QE 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1= 571, 575, igr2=2161,2166, &end # # 36 PHE HZ 73 ILE HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 573,1138, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 36 PHE HZ 73 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1140,1141,1142, &end # # 36 PHE HZ 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 36 PHE HZ 75 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1170,1171,1172, &end # # 36 PHE HZ 109 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1706,1707,1708, &end # # 36 PHE HZ 109 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1710,1711,1712, &end # # 36 PHE HZ 110 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 573,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 36 PHE HZ 110 ALA HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 573,1718, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 36 PHE HZ 113 TYR QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1764,1765, &end # # 36 PHE HZ 113 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1768,1777, &end # # 36 PHE HZ 113 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1770,1775, &end # # 36 PHE HZ 115 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1811,1812,1813, &end # # 36 PHE HZ 115 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1815,1816,1817, &end # # 36 PHE HZ 137 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2159,2168, &end # # 37 GLY HN 38 PHE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 37 GLY HN 72 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1122,1130, &end # # 37 GLY HN 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 37 GLY HN 72 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 581,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 37 GLY HN 73 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 581,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 37 GLY HN 73 ILE HB 6.60 &rst ixpk= 0, nxpk= 0, iat= 581,1138, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 37 GLY HN 73 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1140,1141,1142, &end # # 37 GLY HN 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 37 GLY HN 74 SER HA 5.70 &rst ixpk= 0, nxpk= 0, iat= 581,1155, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 37 GLY HN 74 SER QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1157,1158, &end # # 37 GLY HN 75 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 581,1164, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 37 GLY HN 75 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1170,1171,1172, &end # # 37 GLY HN 75 ILE HG12 6.60 &rst ixpk= 0, nxpk= 0, iat= 581,1174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 37 GLY HN 75 ILE HG13 6.60 &rst ixpk= 0, nxpk= 0, iat= 581,1175, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 37 GLY HN 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 37 GLY HA2 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 37 GLY HA2 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 37 GLY HA3 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 37 GLY HA3 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 38 PHE HN 38 PHE QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 598, 602, &end # # 38 PHE HN 39 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 588, 608, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 38 PHE HN 39 THR HA 6.60 &rst ixpk= 0, nxpk= 0, iat= 588, 610, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 38 PHE HN 39 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 614, 615, 616, &end # # 38 PHE HN 41 CYG HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 588, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 38 PHE HN 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 38 PHE HN 72 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 588,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 38 PHE HN 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 38 PHE HA 39 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 614, 615, 616, &end # # 38 PHE HA 72 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 590,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 38 PHE HA 74 SER HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 590,1157, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 38 PHE HA 74 SER HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 590,1158, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 38 PHE HA 75 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1177,1178,1179, &end # # 38 PHE QB 75 ILE QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 592, 593, igr2=1170,1171,1172, &end # # 38 PHE QB 75 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 592, 593, igr2=1177,1178,1179, &end # # 38 PHE QB 76 ASP- HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 592, 593, &end # # 38 PHE QB 76 ASP- QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34, igr1= 592, 593, igr2=1187,1188, &end # # 38 PHE QB 130 VAL QG1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 592, 593, igr2=2043,2044,2045, &end # # 38 PHE QB 130 VAL QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 592, 593, igr2=2047,2048,2049, &end # # 38 PHE QD 39 THR HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 596, 604, &end # # 38 PHE QD 41 CYG HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 596, 604, &end # # 38 PHE QD 76 ASP- QB 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1= 596, 604, igr2=1187,1188, &end # # 38 PHE QD 130 VAL QG1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 596, 604, igr2=2043,2044,2045, &end # # 38 PHE QD 130 VAL QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 596, 604, igr2=2047,2048,2049, &end # # 38 PHE QE 39 THR HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1= 598, 602, &end # # 38 PHE QE 75 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 598, 602, igr2=1170,1171,1172, &end # # 38 PHE QE 75 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 598, 602, igr2=1177,1178,1179, &end # # 39 THR HN 40 HIS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 608, 622, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 39 THR HN 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 39 THR HN 72 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 608,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 39 THR HA 41 CYG HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 610, 640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 39 THR HA 72 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1124,1128, &end # # 39 THR HA 72 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 610,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 39 THR HA 88 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1372,1381, &end # # 39 THR HA 88 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1374,1379, &end # # 39 THR HB 40 HIS+ HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 612, 622, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 39 THR HB 88 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1372,1381, &end # # 39 THR HB 88 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1374,1379, &end # # 39 THR QG2 40 HIS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 614, 615, 616, &end # # 39 THR QG2 72 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 614, 615, 616, igr2=1124,1128, &end # # 39 THR QG2 72 PHE HZ 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 614, 615, 616, &end # # 39 THR QG2 84 ALA QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 614, 615, 616, igr2=1315,1316,1317, &end # # 39 THR QG2 85 ILE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 614, 615, 616, &end # # 39 THR QG2 88 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 614, 615, 616, &end # # 39 THR QG2 88 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 614, 615, 616, igr2=1372,1381, &end # # 39 THR QG2 88 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 614, 615, 616, igr2=1374,1379, &end # # 40 HIS+ HN 40 HIS+ HD2 5.40 &rst ixpk= 0, nxpk= 0, iat= 622, 636, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 40 HIS+ HN 41 CYG HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 622, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 40 HIS+ HA 40 HIS+ HD2 5.00 &rst ixpk= 0, nxpk= 0, iat= 624, 636, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 40 HIS+ HA 40 HIS+ HE1 5.80 &rst ixpk= 0, nxpk= 0, iat= 624, 632, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 40 HIS+ HA 88 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1372,1381, &end # # 40 HIS+ HA 88 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1374,1379, &end # # 40 HIS+ QB 41 CYG HN 5.68 &rst ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 626, 627, &end # # 40 HIS+ HD2 41 CYG HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 41 CYG HN 42 PRO QD 7.48 &rst ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2= 651, 652, &end # # 41 CYG HN 45 CYG HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 640, 692, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 41 CYG HN 45 CYG HB2 6.50 &rst ixpk= 0, nxpk= 0, iat= 640, 697, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 41 CYG HN 45 CYG HB3 6.50 &rst ixpk= 0, nxpk= 0, iat= 640, 696, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 41 CYG HN 45 CYG QB 5.82 &rst ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 697, 696, &end # # 41 CYG HN 132 HIS HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 640,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 41 CYG QB 45 CYG HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 645, 644, &end # # 42 PRO HA 44 VAL HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 660, 676, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 42 PRO QG 44 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 654, 655, &end # # 42 PRO QG 45 CYG HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 654, 655, &end # # 42 PRO QG 129 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 654, 655, igr2=2031,2032,2033, &end # # 42 PRO HD2 44 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2= 682, 683, 684, &end # # 42 PRO HD2 44 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2= 686, 687, 688, &end # # 42 PRO HD2 129 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2031,2032,2033, &end # # 42 PRO HD3 44 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2= 682, 683, 684, &end # # 42 PRO HD3 44 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2= 686, 687, 688, &end # # 42 PRO HD3 129 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2031,2032,2033, &end # # 42 PRO QD 44 VAL QQG 9.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30, igr1= 651, 652, igr2= 682, 683, 684, 686, 687, 688, &end # # 43 ASP- HN 44 VAL HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 664, 676, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 43 ASP- HN 44 VAL HA 5.80 &rst ixpk= 0, nxpk= 0, iat= 664, 678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 43 ASP- HN 44 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 664, 680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 ASP- HN 44 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2= 682, 683, 684, 686, 687, 688, &end # # 43 ASP- HN 45 CYG HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 664, 692, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 43 ASP- QB 44 VAL QG1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 668, 669, igr2= 682, 683, 684, &end # # 43 ASP- QB 44 VAL QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 668, 669, igr2= 686, 687, 688, &end # # 44 VAL HN 45 CYG HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 VAL HN 132 HIS HE1 6.60 &rst ixpk= 0, nxpk= 0, iat= 676,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 44 VAL HA 47 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 678, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 44 VAL HA 47 GLU- QB 6.70 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr2= 720, 721, &end # # 44 VAL HA 48 GLU- HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 678, 731, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 44 VAL HA 151 GLN QE2 6.87 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr2=2376,2377, &end # # 44 VAL HB 45 CYG HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 680, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 VAL QG1 45 CYG HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 682, 683, 684, &end # # 44 VAL QG1 48 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 682, 683, 684, &end # # 44 VAL QG1 151 GLN HE21 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 682, 683, 684, &end # # 44 VAL QG1 151 GLN HE22 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 682, 683, 684, &end # # 44 VAL QG2 45 CYG HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 686, 687, 688, &end # # 44 VAL QG2 48 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 686, 687, 688, &end # # 44 VAL QG2 151 GLN HE21 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 686, 687, 688, &end # # 44 VAL QG2 151 GLN HE22 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 686, 687, 688, &end # # 44 VAL QQG 132 HIS HE1 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 682, 683, 684, 686, 687, 688, &end # # 44 VAL QQG 151 GLN QE2 7.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61, igr1= 682, 683, 684, 686, 687, 688, igr2=2376,2377, &end # # 45 CYG HN 132 HIS HE1 6.60 &rst ixpk= 0, nxpk= 0, iat= 692,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 45 CYG HA 47 GLU- HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 694, 716, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 45 CYG HA 48 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 694, 731, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 45 CYG HA 49 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2= 759, 760, 761, 755, 756, 757, &end # # 45 CYG HB2 47 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 697, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 45 CYG HB3 47 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 696, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 46 PRO HA 49 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 712, 746, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 46 PRO HA 49 LEU HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 712, 750, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 46 PRO HA 49 LEU HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 712, 751, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 46 PRO HA 49 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2= 759, 760, 761, 755, 756, 757, &end # # 46 PRO HA 50 GLU- QG 6.68 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr2= 772, 773, &end # # 46 PRO HA 88 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1372,1381, &end # # 46 PRO HA 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 46 PRO HA 92 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 712,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 46 PRO HB2 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 46 PRO HB2 92 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 709,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 46 PRO HB3 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 46 PRO HB3 92 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat= 710,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 47 GLU- HN 47 GLU- QG 6.60 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 723, 724, &end # # 47 GLU- HN 48 GLU- HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 716, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 47 GLU- HN 49 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 716, 746, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 47 GLU- HN 49 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2= 750, 751, &end # # 47 GLU- HN 49 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2= 759, 760, 761, 755, 756, 757, &end # # 47 GLU- HN 50 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 716, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 47 GLU- HA 50 GLU- HG2 5.70 &rst ixpk= 0, nxpk= 0, iat= 718, 772, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 47 GLU- HA 50 GLU- HG3 5.70 &rst ixpk= 0, nxpk= 0, iat= 718, 773, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 47 GLU- HA 50 GLU- QG 5.06 &rst ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 772, 773, &end # # 47 GLU- QG 48 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 723, 724, &end # # 48 GLU- HN 49 LEU HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 731, 746, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 48 GLU- HN 49 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2= 750, 751, &end # # 48 GLU- HN 49 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2= 759, 760, 761, 755, 756, 757, &end # # 48 GLU- HN 50 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 731, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 48 GLU- HA 49 LEU QB 6.98 &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2= 750, 751, &end # # 48 GLU- HA 50 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 733, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 48 GLU- HA 51 LYS+ HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 733, 780, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 48 GLU- HA 52 MET HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 733, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 49 LEU HN 49 LEU HG 5.40 &rst ixpk= 0, nxpk= 0, iat= 746, 753, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 49 LEU HN 49 LEU QD1 6.90 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 755, 756, 757, &end # # 49 LEU HN 49 LEU QD2 6.90 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2= 759, 760, 761, &end # # 49 LEU HN 49 LEU QQD 6.47 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22, igr2= 759, 760, 761, 755, 756, 757, &end # # 49 LEU HN 50 GLU- HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 746, 765, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 49 LEU HN 52 MET HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 746, 802, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 49 LEU HN 53 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 746, 819, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 49 LEU HN 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 49 LEU HN 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 49 LEU HA 49 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 755, 756, 757, &end # # 49 LEU HA 49 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 759, 760, 761, &end # # 49 LEU HA 52 MET HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 748, 802, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 49 LEU HA 52 MET QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 806, 807, &end # # 49 LEU HA 52 MET QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 809, 810, &end # # 49 LEU HA 52 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 813, 814, 815, &end # # 49 LEU HB2 50 GLU- HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 750, 765, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 49 LEU HB3 50 GLU- HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 751, 765, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 49 LEU QB 50 GLU- HN 5.94 &rst ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 750, 751, &end # # 49 LEU QB 53 ILE HN 6.98 &rst ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1= 750, 751, &end # # 49 LEU QB 92 PHE QE 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1= 750, 751, igr2=1448,1452, &end # # 49 LEU HG 50 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 753, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 49 LEU HG 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 49 LEU QD1 50 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 755, 756, 757, &end # # 49 LEU QD1 52 MET QE 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 755, 756, 757, igr2= 813, 814, 815, &end # # 49 LEU QD1 72 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 755, 756, 757, igr2=1122,1130, &end # # 49 LEU QD1 88 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 755, 756, 757, igr2=1374,1379, &end # # 49 LEU QD1 92 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 755, 756, 757, igr2=1446,1454, &end # # 49 LEU QD1 92 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 755, 756, 757, igr2=1448,1452, &end # # 49 LEU QD2 50 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 759, 760, 761, &end # # 49 LEU QD2 52 MET QE 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 759, 760, 761, igr2= 813, 814, 815, &end # # 49 LEU QD2 72 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 759, 760, 761, igr2=1122,1130, &end # # 49 LEU QD2 88 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 759, 760, 761, igr2=1374,1379, &end # # 49 LEU QD2 92 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 759, 760, 761, igr2=1446,1454, &end # # 49 LEU QD2 92 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1= 759, 760, 761, igr2=1448,1452, &end # # 49 LEU QQD 52 MET HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 759, 760, 761, 755, 756, 757, &end # # 49 LEU QQD 52 MET QB 10.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89, igr1= 759, 760, 761, 755, 756, 757, igr2= 806, 807, &end # # 49 LEU QQD 52 MET QE 8.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.97, r4=13.47, igr1= 759, 760, 761, 755, 756, 757, igr2= 813, 814, 815, &end # # 49 LEU QQD 53 ILE HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 759, 760, 761, 755, 756, 757, &end # # 49 LEU QQD 72 PHE QB 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1= 759, 760, 761, 755, 756, 757, igr2=1118,1119, &end # # 49 LEU QQD 72 PHE QE 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 759, 760, 761, 755, 756, 757, igr2=1124,1128, &end # # 49 LEU QQD 72 PHE HZ 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 759, 760, 761, 755, 756, 757, &end # # 49 LEU QQD 88 TYR QB 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1= 759, 760, 761, 755, 756, 757, igr2=1368,1369, &end # # 49 LEU QQD 88 TYR QD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1= 759, 760, 761, 755, 756, 757, igr2=1372,1381, &end # # 49 LEU QQD 92 PHE QB 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1= 759, 760, 761, 755, 756, 757, igr2=1442,1443, &end # # 49 LEU QQD 92 PHE HZ 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1= 759, 760, 761, 755, 756, 757, &end # # 49 LEU QQD 96 LEU QB 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1= 759, 760, 761, 755, 756, 757, igr2=1509,1510, &end # # 49 LEU QQD 96 LEU QQD 11.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=21.33, r4=21.83, igr1= 759, 760, 761, 755, 756, 757, igr2=1518,1519,1520,1514,1515,1516, &end # # 50 GLU- HN 50 GLU- QG 5.28 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 772, 773, &end # # 50 GLU- HN 51 LYS+ HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 765, 780, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 50 GLU- HN 52 MET HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 765, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 50 GLU- HN 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 50 GLU- HN 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 50 GLU- HA 53 ILE HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 767, 819, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 50 GLU- HA 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 50 GLU- HA 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 50 GLU- QB 92 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1= 769, 770, igr2=1446,1454, &end # # 50 GLU- QB 92 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1= 769, 770, igr2=1448,1452, &end # # 50 GLU- HG2 51 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 772, 780, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 50 GLU- HG2 54 GLN HE21 7.75 &rst ixpk= 0, nxpk= 0, iat= 772, 850, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 50 GLU- HG2 54 GLN HE22 7.75 &rst ixpk= 0, nxpk= 0, iat= 772, 851, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 50 GLU- HG2 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 50 GLU- HG2 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 50 GLU- HG3 51 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 773, 780, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 50 GLU- HG3 54 GLN HE21 7.75 &rst ixpk= 0, nxpk= 0, iat= 773, 850, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 50 GLU- HG3 54 GLN HE22 7.75 &rst ixpk= 0, nxpk= 0, iat= 773, 851, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 50 GLU- HG3 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 50 GLU- HG3 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 50 GLU- QG 51 LYS+ HN 5.92 &rst ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 772, 773, &end # # 50 GLU- QG 54 GLN QE2 6.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 772, 773, igr2= 850, 851, &end # # 51 LYS+ HN 51 LYS+ QG 6.80 &rst ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr2= 787, 788, &end # # 51 LYS+ HN 51 LYS+ QD 7.60 &rst ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 790, 791, &end # # 51 LYS+ HN 51 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 793, 794, &end # # 51 LYS+ HN 52 MET HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 780, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 LYS+ HA 51 LYS+ QD 6.50 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2= 790, 791, &end # # 51 LYS+ HA 51 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 793, 794, &end # # 51 LYS+ HA 53 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 782, 819, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 51 LYS+ HA 54 GLN HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 782, 838, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 51 LYS+ HA 54 GLN HB2 5.80 &rst ixpk= 0, nxpk= 0, iat= 782, 842, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 51 LYS+ HA 54 GLN HB3 5.80 &rst ixpk= 0, nxpk= 0, iat= 782, 843, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 51 LYS+ HA 54 GLN QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 842, 843, &end # # 51 LYS+ HA 54 GLN HG2 6.60 &rst ixpk= 0, nxpk= 0, iat= 782, 845, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 51 LYS+ HA 54 GLN HG3 6.60 &rst ixpk= 0, nxpk= 0, iat= 782, 846, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 51 LYS+ HA 54 GLN QG 6.29 &rst ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr2= 845, 846, &end # # 51 LYS+ HA 54 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat= 782, 850, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 51 LYS+ HA 54 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat= 782, 851, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 51 LYS+ QB 51 LYS+ QE 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34, igr1= 784, 785, igr2= 793, 794, &end # # 51 LYS+ QB 52 MET HN 7.20 &rst ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1= 784, 785, &end # # 51 LYS+ QB 158 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 784, 785, igr2=2498,2499,2500, &end # # 51 LYS+ QG 52 MET HN 7.10 &rst ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr1= 787, 788, &end # # 51 LYS+ QG 55 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87, igr1= 787, 788, igr2= 861, 862, 863, 865, 866, 867, &end # # 51 LYS+ QD 52 MET HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 790, 791, &end # # 51 LYS+ QD 155 LYS+ HN 7.30 &rst ixpk= 0, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1= 790, 791, &end # # 51 LYS+ QD 158 ILE QG1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34, igr1= 790, 791, igr2=2495,2496, &end # # 51 LYS+ QE 52 MET HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 793, 794, &end # # 51 LYS+ QE 155 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1= 793, 794, &end # # 51 LYS+ QE 158 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 793, 794, igr2=2498,2499,2500, &end # # 52 MET HN 52 MET QG 6.40 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2= 809, 810, &end # # 52 MET HN 52 MET QE 5.10 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2= 813, 814, 815, &end # # 52 MET HN 53 ILE HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 802, 819, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 52 MET HN 53 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 832, 833, 834, &end # # 52 MET HN 55 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2= 861, 862, 863, 865, 866, 867, &end # # 52 MET HA 52 MET QE 6.40 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2= 813, 814, 815, &end # # 52 MET HA 54 GLN HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 804, 838, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 52 MET HA 55 VAL HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 804, 855, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 52 MET HA 55 VAL HB 5.20 &rst ixpk= 0, nxpk= 0, iat= 804, 859, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 52 MET HA 55 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 861, 862, 863, &end # # 52 MET HA 55 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 865, 866, 867, &end # # 52 MET QB 52 MET QE 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 806, 807, igr2= 813, 814, 815, &end # # 52 MET QB 136 MET HG2 7.20 &rst ixpk= 0, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1= 806, 807, &end # # 52 MET QB 136 MET HG3 7.20 &rst ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1= 806, 807, &end # # 52 MET QE 53 ILE HN 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 813, 814, 815, &end # # 52 MET QE 158 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 813, 814, 815, igr2=2498,2499,2500, &end # # 53 ILE HN 53 ILE HG12 5.70 &rst ixpk= 0, nxpk= 0, iat= 819, 829, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 53 ILE HN 53 ILE HG13 5.70 &rst ixpk= 0, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 53 ILE HN 53 ILE QG1 5.29 &rst ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2= 829, 830, &end # # 53 ILE HN 53 ILE QD1 6.20 &rst ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, igr2= 832, 833, 834, &end # # 53 ILE HN 54 GLN HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 819, 838, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 53 ILE HN 54 GLN HG2 6.60 &rst ixpk= 0, nxpk= 0, iat= 819, 845, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 53 ILE HN 54 GLN HG3 6.60 &rst ixpk= 0, nxpk= 0, iat= 819, 846, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 53 ILE HN 54 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat= 819, 850, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 53 ILE HN 54 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat= 819, 851, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 53 ILE HA 55 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2= 861, 862, 863, 865, 866, 867, &end # # 53 ILE HA 56 VAL HB 5.20 &rst ixpk= 0, nxpk= 0, iat= 821, 875, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 53 ILE HA 56 VAL QQG 7.16 &rst ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 877, 878, 879, 881, 882, 883, &end # # 53 ILE HA 57 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 821, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 53 ILE HB 54 GLN HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 53 ILE QG2 54 GLN HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 825, 826, 827, &end # # 53 ILE QG2 93 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 825, 826, 827, &end # # 53 ILE QG2 93 SER HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 825, 826, 827, &end # # 53 ILE QG2 93 SER QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 825, 826, 827, igr2=1462,1463, &end # # 53 ILE HG12 54 GLN HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 829, 838, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 53 ILE HG13 54 GLN HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 53 ILE QG1 54 GLN HN 6.29 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1= 829, 830, &end # # 53 ILE QD1 54 GLN HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 56 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 56 VAL QQG 7.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.89, r4=13.39, igr1= 832, 833, 834, igr2= 877, 878, 879, 881, 882, 883, &end # # 53 ILE QD1 57 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 92 PHE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 92 PHE HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 92 PHE HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 93 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 93 SER HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 93 SER QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 832, 833, 834, igr2=1462,1463, &end # # 53 ILE QD1 95 LYS+ QD 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 832, 833, 834, igr2=1493,1494, &end # # 53 ILE QD1 96 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 96 LEU HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 96 LEU HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 96 LEU HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 832, 833, 834, &end # # 53 ILE QD1 96 LEU QB 7.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, igr1= 832, 833, 834, igr2=1509,1510, &end # # 53 ILE QD1 96 LEU QQD 8.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.36, r4=14.86, igr1= 832, 833, 834, igr2=1518,1519,1520,1514,1515,1516, &end # # 54 GLN HN 54 GLN HG2 5.00 &rst ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 54 GLN HN 54 GLN HG3 5.00 &rst ixpk= 0, nxpk= 0, iat= 838, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 54 GLN HN 54 GLN QG 4.72 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 845, 846, &end # # 54 GLN HN 54 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat= 838, 850, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 54 GLN HN 54 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat= 838, 851, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 54 GLN HN 55 VAL HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 54 GLN HN 55 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 861, 862, 863, &end # # 54 GLN HN 55 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 865, 866, 867, &end # # 54 GLN HN 57 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 838, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 54 GLN HN 155 LYS+ HD2 6.60 &rst ixpk= 0, nxpk= 0, iat= 838,2451, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 54 GLN HN 155 LYS+ HD3 6.60 &rst ixpk= 0, nxpk= 0, iat= 838,2452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 54 GLN HA 54 GLN HE21 5.90 &rst ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 54 GLN HA 54 GLN HE22 5.90 &rst ixpk= 0, nxpk= 0, iat= 840, 851, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 54 GLN HA 54 GLN QE2 5.74 &rst ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2= 850, 851, &end # # 54 GLN HA 57 ASP- HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 840, 887, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 54 GLN HA 57 ASP- HB2 5.10 &rst ixpk= 0, nxpk= 0, iat= 840, 891, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 54 GLN HA 57 ASP- HB3 5.10 &rst ixpk= 0, nxpk= 0, iat= 840, 892, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 54 GLN HA 57 ASP- QB 4.92 &rst ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 891, 892, &end # # 54 GLN HB2 54 GLN HE21 6.10 &rst ixpk= 0, nxpk= 0, iat= 842, 850, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 54 GLN HB2 54 GLN HE22 6.10 &rst ixpk= 0, nxpk= 0, iat= 842, 851, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 54 GLN HB2 55 VAL HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 842, 855, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 54 GLN HB2 155 LYS+ HD2 8.35 &rst ixpk= 0, nxpk= 0, iat= 842,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN HB2 155 LYS+ HD3 8.35 &rst ixpk= 0, nxpk= 0, iat= 842,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN HB3 54 GLN HE21 6.10 &rst ixpk= 0, nxpk= 0, iat= 843, 850, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 54 GLN HB3 54 GLN HE22 6.10 &rst ixpk= 0, nxpk= 0, iat= 843, 851, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 54 GLN HB3 55 VAL HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 843, 855, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 54 GLN HB3 155 LYS+ HD2 8.35 &rst ixpk= 0, nxpk= 0, iat= 843,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN HB3 155 LYS+ HD3 8.35 &rst ixpk= 0, nxpk= 0, iat= 843,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN QB 55 VAL HN 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 842, 843, &end # # 54 GLN QB 56 VAL QQG 10.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69, igr1= 842, 843, igr2= 877, 878, 879, 881, 882, 883, &end # # 54 GLN QB 57 ASP- QB 8.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02, igr1= 842, 843, igr2= 891, 892, &end # # 54 GLN QB 155 LYS+ QG 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18, igr1= 842, 843, igr2=2448,2449, &end # # 54 GLN QB 155 LYS+ QD 6.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, igr1= 842, 843, igr2=2451,2452, &end # # 54 GLN HG2 55 VAL HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 845, 855, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 54 GLN HG2 155 LYS+ QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2448,2449, &end # # 54 GLN HG2 155 LYS+ HD2 8.05 &rst ixpk= 0, nxpk= 0, iat= 845,2451, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, &end # # 54 GLN HG2 155 LYS+ HD3 8.05 &rst ixpk= 0, nxpk= 0, iat= 845,2452, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, &end # # 54 GLN HG3 55 VAL HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 54 GLN HG3 155 LYS+ QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2448,2449, &end # # 54 GLN HG3 155 LYS+ HD2 8.05 &rst ixpk= 0, nxpk= 0, iat= 846,2451, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, &end # # 54 GLN HG3 155 LYS+ HD3 8.05 &rst ixpk= 0, nxpk= 0, iat= 846,2452, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, &end # # 54 GLN QG 55 VAL HN 5.55 &rst ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 845, 846, &end # # 54 GLN QG 155 LYS+ QD 7.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41, igr1= 845, 846, igr2=2451,2452, &end # # 54 GLN HE21 155 LYS+ QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2448,2449, &end # # 54 GLN HE21 155 LYS+ HD2 8.35 &rst ixpk= 0, nxpk= 0, iat= 850,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN HE21 155 LYS+ HD3 8.35 &rst ixpk= 0, nxpk= 0, iat= 850,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN HE22 155 LYS+ QG 7.60 &rst ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2448,2449, &end # # 54 GLN HE22 155 LYS+ HD2 8.35 &rst ixpk= 0, nxpk= 0, iat= 851,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN HE22 155 LYS+ HD3 8.35 &rst ixpk= 0, nxpk= 0, iat= 851,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 54 GLN QE2 155 LYS+ QG 7.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89, igr1= 850, 851, igr2=2448,2449, &end # # 54 GLN QE2 155 LYS+ QD 7.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86, igr1= 850, 851, igr2=2451,2452, &end # # 55 VAL HN 56 VAL HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 855, 871, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 55 VAL HN 57 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 855, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 55 VAL HN 58 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 855, 899, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 55 VAL HN 155 LYS+ HD2 6.40 &rst ixpk= 0, nxpk= 0, iat= 855,2451, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 55 VAL HN 155 LYS+ HD3 6.40 &rst ixpk= 0, nxpk= 0, iat= 855,2452, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 55 VAL HN 155 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2454,2455, &end # # 55 VAL HN 158 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2491,2492,2493, &end # # 55 VAL HA 57 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 857, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 55 VAL HA 58 GLU- HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 857, 899, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 55 VAL HA 58 GLU- QB 6.70 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr2= 903, 904, &end # # 55 VAL HA 58 GLU- QG 6.88 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 906, 907, &end # # 55 VAL HA 155 LYS+ QD 7.28 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=2451,2452, &end # # 55 VAL HA 155 LYS+ QE 7.40 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr2=2454,2455, &end # # 55 VAL HA 158 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2491,2492,2493, &end # # 55 VAL HA 159 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2508,2509,2510, &end # # 55 VAL HB 56 VAL HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 859, 871, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 55 VAL QG1 158 ILE QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 861, 862, 863, igr2=2491,2492,2493, &end # # 55 VAL QG1 159 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 861, 862, 863, &end # # 55 VAL QG1 159 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 861, 862, 863, &end # # 55 VAL QG1 160 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 861, 862, 863, &end # # 55 VAL QG2 158 ILE QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 865, 866, 867, igr2=2491,2492,2493, &end # # 55 VAL QG2 159 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 865, 866, 867, &end # # 55 VAL QG2 159 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 865, 866, 867, &end # # 55 VAL QG2 160 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 865, 866, 867, &end # # 55 VAL QQG 56 VAL HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 861, 862, 863, 865, 866, 867, &end # # 55 VAL QQG 56 VAL HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 861, 862, 863, 865, 866, 867, &end # # 55 VAL QQG 57 ASP- HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 861, 862, 863, 865, 866, 867, &end # # 55 VAL QQG 58 GLU- HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 861, 862, 863, 865, 866, 867, &end # # 55 VAL QQG 155 LYS+ HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,2443, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 861, 862, 863, 865, 866, 867, &end # # 55 VAL QQG 158 ILE HB 8.26 &rst ixpk= 0, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63, igr1= 861, 862, 863, 865, 866, 867, &end # # 55 VAL QQG 159 ALA QB 9.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.48, r4=15.98, igr1= 861, 862, 863, 865, 866, 867, igr2=2508,2509,2510, &end # # 55 VAL QQG 162 ILE HB 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 861, 862, 863, 865, 866, 867, &end # # 56 VAL HN 57 ASP- HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 871, 887, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 56 VAL HN 68 LEU HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 871,1052, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 56 VAL HN 68 LEU HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 871,1053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 56 VAL HA 59 ILE HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 873, 914, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 56 VAL HA 59 ILE HB 5.60 &rst ixpk= 0, nxpk= 0, iat= 873, 918, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 56 VAL HA 59 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 920, 921, 922, &end # # 56 VAL HA 59 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 927, 928, 929, &end # # 56 VAL HA 60 ASP- HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 873, 933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 56 VAL HA 68 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 873,1048, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 56 VAL HA 68 LEU HB2 6.60 &rst ixpk= 0, nxpk= 0, iat= 873,1052, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 56 VAL HA 68 LEU HB3 6.60 &rst ixpk= 0, nxpk= 0, iat= 873,1053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 56 VAL HA 68 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1061,1062,1063,1057,1058,1059, &end # # 56 VAL HB 57 ASP- HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 875, 887, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 56 VAL QG1 57 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 877, 878, 879, &end # # 56 VAL QG1 68 LEU HB2 10.72 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr1= 877, 878, 879, &end # # 56 VAL QG1 68 LEU HB3 10.72 &rst ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr1= 877, 878, 879, &end # # 56 VAL QG2 57 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 881, 882, 883, &end # # 56 VAL QG2 68 LEU HB2 10.72 &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr1= 881, 882, 883, &end # # 56 VAL QG2 68 LEU HB3 10.72 &rst ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr1= 881, 882, 883, &end # # 56 VAL QQG 57 ASP- HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 877, 878, 879, 881, 882, 883, &end # # 56 VAL QQG 68 LEU HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1= 877, 878, 879, 881, 882, 883, &end # # 56 VAL QQG 68 LEU QB 8.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.35, r4=13.85, igr1= 877, 878, 879, 881, 882, 883, igr2=1052,1053, &end # # 56 VAL QQG 68 LEU HG 8.06 &rst ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36, igr1= 877, 878, 879, 881, 882, 883, &end # # 56 VAL QQG 70 PRO QB 10.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69, igr1= 877, 878, 879, 881, 882, 883, igr2=1088,1089, &end # # 57 ASP- HN 58 GLU- HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 887, 899, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 57 ASP- HN 59 ILE HB 5.90 &rst ixpk= 0, nxpk= 0, iat= 887, 918, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 57 ASP- HN 60 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 887, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 57 ASP- HN 61 SER HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 887, 945, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 57 ASP- HN 95 LYS+ QD 7.60 &rst ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1493,1494, &end # # 57 ASP- HA 59 ILE HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 889, 914, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 57 ASP- HA 60 ASP- HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 889, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 57 ASP- HA 60 ASP- HB2 5.20 &rst ixpk= 0, nxpk= 0, iat= 889, 937, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 57 ASP- HA 60 ASP- HB3 5.20 &rst ixpk= 0, nxpk= 0, iat= 889, 938, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 57 ASP- HB2 58 GLU- HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 891, 899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 57 ASP- HB2 59 ILE HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 891, 914, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 57 ASP- HB3 58 GLU- HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 892, 899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 57 ASP- HB3 59 ILE HN 6.30 &rst ixpk= 0, nxpk= 0, iat= 892, 914, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 57 ASP- QB 59 ILE HN 6.14 &rst ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1= 891, 892, &end # # 58 GLU- HN 58 GLU- HG2 4.40 &rst ixpk= 0, nxpk= 0, iat= 899, 906, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 58 GLU- HN 58 GLU- HG3 4.40 &rst ixpk= 0, nxpk= 0, iat= 899, 907, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 58 GLU- HN 58 GLU- QG 4.06 &rst ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 906, 907, &end # # 58 GLU- HN 59 ILE HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 58 GLU- HN 59 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 920, 921, 922, &end # # 58 GLU- HN 59 ILE QG1 6.48 &rst ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2= 924, 925, &end # # 58 GLU- HN 60 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 899, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 58 GLU- HA 58 GLU- HG2 4.10 &rst ixpk= 0, nxpk= 0, iat= 901, 906, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 58 GLU- HA 58 GLU- HG3 4.10 &rst ixpk= 0, nxpk= 0, iat= 901, 907, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 58 GLU- HA 58 GLU- QG 3.90 &rst ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 906, 907, &end # # 58 GLU- HA 60 ASP- HN 6.50 &rst ixpk= 0, nxpk= 0, iat= 901, 933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 58 GLU- QB 61 SER QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34, igr1= 903, 904, igr2= 949, 950, &end # # 58 GLU- QB 159 ALA QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1= 903, 904, igr2=2508,2509,2510, &end # # 58 GLU- HG2 59 ILE HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 906, 914, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 58 GLU- HG3 59 ILE HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 907, 914, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 58 GLU- QG 59 ILE HN 4.57 &rst ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 906, 907, &end # # 58 GLU- QG 60 ASP- HN 7.18 &rst ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1= 906, 907, &end # # 58 GLU- QG 159 ALA QB 8.28 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.16, r4=11.66, igr1= 906, 907, igr2=2508,2509,2510, &end # # 59 ILE HN 59 ILE HB 3.60 &rst ixpk= 0, nxpk= 0, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 59 ILE HN 59 ILE HG12 5.40 &rst ixpk= 0, nxpk= 0, iat= 914, 924, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 59 ILE HN 59 ILE HG13 5.40 &rst ixpk= 0, nxpk= 0, iat= 914, 925, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 59 ILE HN 59 ILE QG1 5.08 &rst ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 924, 925, &end # # 59 ILE HN 59 ILE QD1 5.40 &rst ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 927, 928, 929, &end # # 59 ILE HN 60 ASP- HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 59 ILE HN 61 SER HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 914, 945, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 59 ILE HN 62 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 914, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 59 ILE HN 62 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 969, 970, 971, &end # # 59 ILE HA 61 SER HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 916, 945, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 59 ILE HA 62 ILE HN 6.20 &rst ixpk= 0, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 59 ILE HA 62 ILE HB 5.60 &rst ixpk= 0, nxpk= 0, iat= 916, 960, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 59 ILE HA 62 ILE QG1 6.08 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2= 966, 967, &end # # 59 ILE HA 62 ILE QD1 7.20 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr2= 969, 970, 971, &end # # 59 ILE HA 159 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2508,2509,2510, &end # # 59 ILE HA 162 ILE HB 6.20 &rst ixpk= 0, nxpk= 0, iat= 916,2539, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 59 ILE HB 60 ASP- HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 59 ILE HB 65 LEU QB 6.28 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2=1007,1008, &end # # 59 ILE HB 162 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2548,2549,2550, &end # # 59 ILE QG2 60 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 920, 921, 922, &end # # 59 ILE QG2 60 ASP- HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 920, 921, 922, &end # # 59 ILE QG2 61 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 920, 921, 922, &end # # 59 ILE QG2 62 ILE HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 920, 921, 922, &end # # 59 ILE QG2 67 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 920, 921, 922, &end # # 59 ILE QG2 68 LEU HN 3.90 &rst ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 920, 921, 922, &end # # 59 ILE QG2 68 LEU QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1= 920, 921, 922, igr2=1052,1053, &end # # 59 ILE QG2 159 ALA QB 8.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.26, r4=12.76, igr1= 920, 921, 922, igr2=2508,2509,2510, &end # # 59 ILE QG2 162 ILE HB 6.80 &rst ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 920, 921, 922, &end # # 59 ILE HG12 60 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 924, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 59 ILE HG13 60 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 59 ILE QG1 61 SER HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1= 924, 925, &end # # 59 ILE QD1 60 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 59 ILE QD1 61 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 59 ILE QD1 158 ILE QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1= 927, 928, 929, igr2=2491,2492,2493, &end # # 59 ILE QD1 159 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 59 ILE QD1 159 ALA QB 7.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75, igr1= 927, 928, 929, igr2=2508,2509,2510, &end # # 59 ILE QD1 160 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 59 ILE QD1 162 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 59 ILE QD1 162 ILE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 59 ILE QD1 162 ILE HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 59 ILE QD1 162 ILE QG2 7.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17, igr1= 927, 928, 929, igr2=2541,2542,2543, &end # # 59 ILE QD1 163 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 927, 928, 929, &end # # 60 ASP- HN 61 SER HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 933, 945, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 60 ASP- HN 61 SER QB 7.60 &rst ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 949, 950, &end # # 60 ASP- HN 62 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 933, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 60 ASP- HN 67 ASP- HA 6.40 &rst ixpk= 0, nxpk= 0, iat= 933,1038, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 60 ASP- HA 68 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 935,1048, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 60 ASP- HB2 61 SER HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 60 ASP- HB2 62 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 937, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 60 ASP- HB3 61 SER HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 60 ASP- HB3 62 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 938, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 61 SER HN 62 ILE HB 5.10 &rst ixpk= 0, nxpk= 0, iat= 945, 960, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 61 SER HN 62 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 962, 963, 964, &end # # 61 SER HN 62 ILE HG12 6.00 &rst ixpk= 0, nxpk= 0, iat= 945, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 SER HN 62 ILE HG13 6.00 &rst ixpk= 0, nxpk= 0, iat= 945, 967, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 SER HN 62 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2= 969, 970, 971, &end # # 61 SER HN 63 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 945, 975, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 62 ILE HN 62 ILE HG12 4.70 &rst ixpk= 0, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 62 ILE HN 62 ILE HG13 4.70 &rst ixpk= 0, nxpk= 0, iat= 956, 967, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 62 ILE HN 62 ILE QD1 5.20 &rst ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2= 969, 970, 971, &end # # 62 ILE HN 63 THR HN 6.10 &rst ixpk= 0, nxpk= 0, iat= 956, 975, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 62 ILE HN 64 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 956, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 62 ILE HB 63 THR HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 960, 975, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 62 ILE HB 64 THR HN 6.40 &rst ixpk= 0, nxpk= 0, iat= 960, 989, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 62 ILE HB 65 LEU HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 960,1003, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 62 ILE QG2 63 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 962, 963, 964, &end # # 62 ILE QG2 63 THR HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 962, 963, 964, &end # # 62 ILE QG2 64 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 962, 963, 964, &end # # 62 ILE QG2 65 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 962, 963, 964, &end # # 62 ILE HG12 64 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 966, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 62 ILE HG13 64 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat= 967, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 62 ILE QG1 64 THR HN 6.44 &rst ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1= 966, 967, &end # # 62 ILE QG1 65 LEU HN 7.38 &rst ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78, igr1= 966, 967, &end # # 62 ILE QD1 63 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 969, 970, 971, &end # # 62 ILE QD1 63 THR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 969, 970, 971, &end # # 63 THR HN 64 THR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 975, 989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 63 THR HA 65 LEU HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 977,1003, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 63 THR HB 64 THR HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 63 THR QG2 64 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 981, 982, 983, &end # # 64 THR HN 65 LEU HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 989,1003, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 64 THR HN 65 LEU QB 7.28 &rst ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=1007,1008, &end # # 64 THR HB 65 LEU HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 993,1003, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 64 THR HB 171 LYS+ QG 6.98 &rst ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr2=2702,2703, &end # # 64 THR HB 171 LYS+ QD 7.60 &rst ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2705,2706, &end # # 64 THR QG2 65 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 995, 996, 997, &end # # 64 THR QG2 171 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 995, 996, 997, &end # # 64 THR QG2 173 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 995, 996, 997, &end # # 65 LEU HN 65 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1012,1013,1014, &end # # 65 LEU HN 65 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2=1016,1017,1018, &end # # 65 LEU HN 65 LEU QQD 5.28 &rst ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr2=1016,1017,1018,1012,1013,1014, &end # # 65 LEU HN 66 PRO HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=1003,1023, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 65 LEU HN 66 PRO HD3 6.60 &rst ixpk= 0, nxpk= 0, iat=1003,1024, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 65 LEU HA 65 LEU QD1 6.20 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, igr2=1012,1013,1014, &end # # 65 LEU HA 65 LEU QD2 6.20 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, igr2=1016,1017,1018, &end # # 65 LEU HA 171 LYS+ QB 6.78 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2=2699,2700, &end # # 65 LEU HA 172 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2730,2731, &end # # 65 LEU HB2 66 PRO HD2 8.35 &rst ixpk= 0, nxpk= 0, iat=1007,1023, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 65 LEU HB2 66 PRO HD3 8.35 &rst ixpk= 0, nxpk= 0, iat=1007,1024, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 65 LEU HB3 66 PRO HD2 8.35 &rst ixpk= 0, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 65 LEU HB3 66 PRO HD3 8.35 &rst ixpk= 0, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 65 LEU QB 66 PRO QD 7.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61, igr1=1007,1008, igr2=1023,1024, &end # # 65 LEU QD1 66 PRO HB2 9.04 &rst ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36, igr1=1012,1013,1014, &end # # 65 LEU QD1 66 PRO HB3 9.04 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36, igr1=1012,1013,1014, &end # # 65 LEU QD1 66 PRO HD2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=1012,1013,1014, &end # # 65 LEU QD1 66 PRO HD3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=1012,1013,1014, &end # # 65 LEU QD1 163 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1012,1013,1014, &end # # 65 LEU QD1 163 ALA QB 8.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47, igr1=1012,1013,1014, igr2=2558,2559,2560, &end # # 65 LEU QD1 171 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1012,1013,1014, &end # # 65 LEU QD2 66 PRO HB2 9.04 &rst ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36, igr1=1016,1017,1018, &end # # 65 LEU QD2 66 PRO HB3 9.04 &rst ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36, igr1=1016,1017,1018, &end # # 65 LEU QD2 66 PRO HD2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=1016,1017,1018, &end # # 65 LEU QD2 66 PRO HD3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=1016,1017,1018, &end # # 65 LEU QD2 163 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1016,1017,1018, &end # # 65 LEU QD2 163 ALA QB 8.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47, igr1=1016,1017,1018, igr2=2558,2559,2560, &end # # 65 LEU QD2 171 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1016,1017,1018, &end # # 65 LEU QQD 66 PRO HA 8.67 &rst ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19, igr1=1016,1017,1018,1012,1013,1014, &end # # 65 LEU QQD 66 PRO QB 7.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70, igr1=1016,1017,1018,1012,1013,1014, igr2=1029,1030, &end # # 65 LEU QQD 66 PRO QD 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31, igr1=1016,1017,1018,1012,1013,1014, igr2=1023,1024, &end # # 65 LEU QQD 163 ALA QB 7.61 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.32, r4=12.82, igr1=1016,1017,1018,1012,1013,1014, igr2=2558,2559,2560, &end # # 65 LEU QQD 170 ARG+ HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2673, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=1016,1017,1018,1012,1013,1014, &end # # 65 LEU QQD 170 ARG+ QD 10.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89, igr1=1016,1017,1018,1012,1013,1014, igr2=2681,2682, &end # # 66 PRO HB2 67 ASP- HN 4.60 &rst ixpk= 0, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 66 PRO HB3 67 ASP- HN 4.60 &rst ixpk= 0, nxpk= 0, iat=1030,1036, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 67 ASP- HN 68 LEU HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1036,1048, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 67 ASP- HB2 68 LEU HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1040,1048, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 67 ASP- HB3 68 LEU HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1041,1048, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 68 LEU HN 68 LEU HG 5.90 &rst ixpk= 0, nxpk= 0, iat=1048,1055, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 68 LEU HN 68 LEU QD1 7.30 &rst ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr2=1057,1058,1059, &end # # 68 LEU HN 68 LEU QD2 7.30 &rst ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27, igr2=1061,1062,1063, &end # # 68 LEU HN 68 LEU QQD 6.93 &rst ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr2=1061,1062,1063,1057,1058,1059, &end # # 68 LEU HN 69 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1048,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 68 LEU HN 69 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat=1048,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 68 LEU HA 68 LEU QD1 6.10 &rst ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=1057,1058,1059, &end # # 68 LEU HA 68 LEU QD2 6.10 &rst ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=1061,1062,1063, &end # # 68 LEU HA 69 THR HG1 5.00 &rst ixpk= 0, nxpk= 0, iat=1050,1077, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 68 LEU HB2 69 THR HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 68 LEU HB3 69 THR HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1053,1067, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 68 LEU QB 69 THR HN 5.89 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1052,1053, &end # # 68 LEU QB 70 PRO QD 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18, igr1=1052,1053, igr2=1082,1083, &end # # 68 LEU QD1 69 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1057,1058,1059, &end # # 68 LEU QD2 69 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1061,1062,1063, &end # # 68 LEU QQD 70 PRO QB 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1=1061,1062,1063,1057,1058,1059, igr2=1088,1089, &end # # 68 LEU QQD 70 PRO QG 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1=1061,1062,1063,1057,1058,1059, igr2=1085,1086, &end # # 68 LEU QQD 70 PRO QD 10.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89, igr1=1061,1062,1063,1057,1058,1059, igr2=1082,1083, &end # # 69 THR HN 69 THR HG1 6.60 &rst ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 69 THR HN 70 PRO QB 6.90 &rst ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=1088,1089, &end # # 69 THR HN 70 PRO QD 7.60 &rst ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1082,1083, &end # # 69 THR QG2 71 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1073,1074,1075, &end # # 69 THR QG2 71 LEU HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1073,1074,1075, &end # # 69 THR QG2 71 LEU QD1 8.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18, igr1=1073,1074,1075, igr2=1104,1105,1106, &end # # 69 THR QG2 71 LEU QD2 8.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18, igr1=1073,1074,1075, igr2=1108,1109,1110, &end # # 69 THR QG2 71 LEU QQD 7.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.38, r4=12.88, igr1=1073,1074,1075, igr2=1108,1109,1110,1104,1105,1106, &end # # 69 THR QG2 96 LEU HA 7.10 &rst ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1073,1074,1075, &end # # 69 THR QG2 97 VAL HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1073,1074,1075, &end # # 70 PRO HA 71 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1108,1109,1110,1104,1105,1106, &end # # 70 PRO HA 96 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1518,1519,1520,1514,1515,1516, &end # # 70 PRO HB2 97 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1088,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 70 PRO HB3 97 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1089,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 70 PRO QB 96 LEU HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1=1088,1089, &end # # 70 PRO QG 96 LEU HA 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=1085,1086, &end # # 71 LEU HN 71 LEU HG 6.20 &rst ixpk= 0, nxpk= 0, iat=1095,1102, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 71 LEU HN 71 LEU QD1 6.90 &rst ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2=1104,1105,1106, &end # # 71 LEU HN 71 LEU QD2 6.90 &rst ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2=1108,1109,1110, &end # # 71 LEU HN 71 LEU QQD 6.47 &rst ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22, igr2=1108,1109,1110,1104,1105,1106, &end # # 71 LEU HN 96 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1518,1519,1520,1514,1515,1516, &end # # 71 LEU HA 71 LEU QD1 6.70 &rst ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr2=1104,1105,1106, &end # # 71 LEU HA 71 LEU QD2 6.70 &rst ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr2=1108,1109,1110, &end # # 71 LEU HA 97 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1097,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 71 LEU HA 97 VAL HB 6.60 &rst ixpk= 0, nxpk= 0, iat=1097,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 71 LEU HA 97 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1530,1531,1532,1534,1535,1536, &end # # 71 LEU HB2 72 PHE HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 71 LEU HB3 72 PHE HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 71 LEU QB 72 PHE HN 5.76 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1099,1100, &end # # 71 LEU QB 73 ILE QD1 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1=1099,1100, igr2=1147,1148,1149, &end # # 71 LEU QB 97 VAL HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=1099,1100, &end # # 71 LEU QB 99 LEU HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=1099,1100, &end # # 71 LEU HG 72 PHE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1102,1114, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 71 LEU HG 97 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1102,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 71 LEU QD1 72 PHE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1104,1105,1106, &end # # 71 LEU QD1 73 ILE QD1 5.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72, igr1=1104,1105,1106, igr2=1147,1148,1149, &end # # 71 LEU QD1 97 VAL HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1104,1105,1106, &end # # 71 LEU QD1 97 VAL QG1 11.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97, igr1=1104,1105,1106, igr2=1530,1531,1532, &end # # 71 LEU QD1 97 VAL QG2 11.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97, igr1=1104,1105,1106, igr2=1534,1535,1536, &end # # 71 LEU QD1 99 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1104,1105,1106, &end # # 71 LEU QD1 99 LEU QD1 10.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99, igr1=1104,1105,1106, igr2=1556,1557,1558, &end # # 71 LEU QD1 99 LEU QD2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99, igr1=1104,1105,1106, igr2=1560,1561,1562, &end # # 71 LEU QD2 72 PHE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1108,1109,1110, &end # # 71 LEU QD2 73 ILE QD1 5.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72, igr1=1108,1109,1110, igr2=1147,1148,1149, &end # # 71 LEU QD2 97 VAL HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1108,1109,1110, &end # # 71 LEU QD2 97 VAL QG1 11.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97, igr1=1108,1109,1110, igr2=1530,1531,1532, &end # # 71 LEU QD2 97 VAL QG2 11.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97, igr1=1108,1109,1110, igr2=1534,1535,1536, &end # # 71 LEU QD2 99 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1108,1109,1110, &end # # 71 LEU QD2 99 LEU QD1 10.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99, igr1=1108,1109,1110, igr2=1556,1557,1558, &end # # 71 LEU QD2 99 LEU QD2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99, igr1=1108,1109,1110, igr2=1560,1561,1562, &end # # 71 LEU QQD 72 PHE HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=1108,1109,1110,1104,1105,1106, &end # # 71 LEU QQD 73 ILE QD1 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr1=1108,1109,1110,1104,1105,1106, igr2=1147,1148,1149, &end # # 71 LEU QQD 97 VAL HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=1108,1109,1110,1104,1105,1106, &end # # 71 LEU QQD 97 VAL QQG 9.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.63, r4=17.13, igr1=1108,1109,1110,1104,1105,1106, igr2=1530,1531,1532,1534,1535,1536, &end # # 71 LEU QQD 98 GLY HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=1108,1109,1110,1104,1105,1106, &end # # 71 LEU QQD 99 LEU QQD 8.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.79, r4=16.29, igr1=1108,1109,1110,1104,1105,1106, igr2=1560,1561,1562,1556,1557,1558, &end # # 72 PHE HN 72 PHE QE 7.60 &rst ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1124,1128, &end # # 72 PHE HN 73 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1114,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 72 PHE HN 73 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1140,1141,1142, &end # # 72 PHE HN 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 72 PHE HN 97 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1114,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 72 PHE HN 97 VAL HB 6.60 &rst ixpk= 0, nxpk= 0, iat=1114,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 72 PHE HN 97 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1530,1531,1532,1534,1535,1536, &end # # 72 PHE HN 98 GLY HA2 6.60 &rst ixpk= 0, nxpk= 0, iat=1114,1542, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 72 PHE HN 98 GLY HA3 6.60 &rst ixpk= 0, nxpk= 0, iat=1114,1543, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 72 PHE HN 99 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1114,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 72 PHE HA 73 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1116,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 PHE HA 73 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1140,1141,1142, &end # # 72 PHE HA 73 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1147,1148,1149, &end # # 72 PHE HA 96 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1518,1519,1520,1514,1515,1516, &end # # 72 PHE HB2 73 ILE HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1118,1134, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 72 PHE HB3 73 ILE HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1119,1134, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 72 PHE QB 89 VAL QQG 10.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69, igr1=1118,1119, igr2=1391,1392,1393,1395,1396,1397, &end # # 72 PHE QB 98 GLY QA 8.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02, igr1=1118,1119, igr2=1542,1543, &end # # 72 PHE QD 73 ILE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1122,1130, &end # # 72 PHE QD 85 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1122,1130, igr2=1327,1328,1329, &end # # 72 PHE QD 85 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1122,1130, igr2=1334,1335,1336, &end # # 72 PHE QD 88 TYR QE 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1=1122,1130, igr2=1374,1379, &end # # 72 PHE QD 89 VAL HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1122,1130, &end # # 72 PHE QD 96 LEU QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1122,1130, igr2=1514,1515,1516, &end # # 72 PHE QD 96 LEU QD2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1122,1130, igr2=1518,1519,1520, &end # # 72 PHE QD 98 GLY HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1122,1130, &end # # 72 PHE QD 98 GLY HA2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1122,1130, &end # # 72 PHE QD 98 GLY HA3 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1122,1130, &end # # 72 PHE QD 99 LEU HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1122,1130, &end # # 72 PHE QE 73 ILE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1124,1128, &end # # 72 PHE QE 85 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1124,1128, igr2=1327,1328,1329, &end # # 72 PHE QE 85 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1124,1128, igr2=1334,1335,1336, &end # # 72 PHE QE 88 TYR QE 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1=1124,1128, igr2=1374,1379, &end # # 72 PHE QE 97 VAL HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1124,1128, &end # # 72 PHE HZ 88 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1374,1379, &end # # 73 ILE HN 73 ILE HG12 6.50 &rst ixpk= 0, nxpk= 0, iat=1134,1144, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 73 ILE HN 73 ILE HG13 6.50 &rst ixpk= 0, nxpk= 0, iat=1134,1145, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 73 ILE HN 73 ILE QG1 6.10 &rst ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1144,1145, &end # # 73 ILE HN 73 ILE QD1 7.00 &rst ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1147,1148,1149, &end # # 73 ILE HA 99 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1136,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 73 ILE HA 99 LEU HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=1136,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 73 ILE HA 99 LEU HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=1136,1552, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 73 ILE HA 99 LEU QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1556,1557,1558, &end # # 73 ILE HA 99 LEU QD2 7.60 &rst ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1560,1561,1562, &end # # 73 ILE HB 74 SER HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 73 ILE HB 109 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1706,1707,1708,1710,1711,1712, &end # # 73 ILE QG2 74 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG2 99 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG2 99 LEU HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG2 99 LEU HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG2 99 LEU QQD 9.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.82, r4=16.32, igr1=1140,1141,1142, igr2=1560,1561,1562,1556,1557,1558, &end # # 73 ILE QG2 106 VAL HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG2 106 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95, igr1=1140,1141,1142, igr2=1661,1662,1663,1665,1666,1667, &end # # 73 ILE QG2 109 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG2 109 VAL HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG2 109 VAL QG1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1140,1141,1142, igr2=1706,1707,1708, &end # # 73 ILE QG2 109 VAL QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1140,1141,1142, igr2=1710,1711,1712, &end # # 73 ILE QG2 110 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1140,1141,1142, &end # # 73 ILE QG1 74 SER HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=1144,1145, &end # # 73 ILE QG1 99 LEU HN 7.28 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1=1144,1145, &end # # 73 ILE QG1 99 LEU QQD 8.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59, igr1=1144,1145, igr2=1560,1561,1562,1556,1557,1558, &end # # 73 ILE QD1 74 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1147,1148,1149, &end # # 73 ILE QD1 99 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1147,1148,1149, &end # # 73 ILE QD1 99 LEU HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1147,1148,1149, &end # # 73 ILE QD1 99 LEU HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1147,1148,1149, &end # # 73 ILE QD1 99 LEU QQD 6.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33, igr1=1147,1148,1149, igr2=1560,1561,1562,1556,1557,1558, &end # # 73 ILE QD1 100 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1147,1148,1149, &end # # 73 ILE QD1 109 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1147,1148,1149, &end # # 73 ILE QD1 109 VAL QG1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1147,1148,1149, igr2=1706,1707,1708, &end # # 73 ILE QD1 109 VAL QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1147,1148,1149, igr2=1710,1711,1712, &end # # 73 ILE QD1 109 VAL QQG 8.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.53, r4=14.03, igr1=1147,1148,1149, igr2=1706,1707,1708,1710,1711,1712, &end # # 73 ILE QD1 113 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1147,1148,1149, igr2=1768,1777, &end # # 73 ILE QD1 113 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1147,1148,1149, igr2=1770,1775, &end # # 74 SER HN 99 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1153,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 74 SER HN 99 LEU HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=1153,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 74 SER HN 99 LEU HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=1153,1552, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 74 SER HN 100 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1572,1573,1574, &end # # 74 SER HA 76 ASP- HN 5.50 &rst ixpk= 0, nxpk= 0, iat=1155,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 SER HB2 75 ILE HN 5.80 &rst ixpk= 0, nxpk= 0, iat=1157,1164, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 74 SER HB2 76 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1157,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 74 SER HB2 85 ILE HG12 8.35 &rst ixpk= 0, nxpk= 0, iat=1157,1331, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 74 SER HB2 85 ILE HG13 8.35 &rst ixpk= 0, nxpk= 0, iat=1157,1332, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 74 SER HB2 85 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1334,1335,1336, &end # # 74 SER HB3 75 ILE HN 5.80 &rst ixpk= 0, nxpk= 0, iat=1158,1164, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 74 SER HB3 76 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1158,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 74 SER HB3 85 ILE HG12 8.35 &rst ixpk= 0, nxpk= 0, iat=1158,1331, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 74 SER HB3 85 ILE HG13 8.35 &rst ixpk= 0, nxpk= 0, iat=1158,1332, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 74 SER HB3 85 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1334,1335,1336, &end # # 74 SER QB 76 ASP- HN 6.29 &rst ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr1=1157,1158, &end # # 74 SER QB 85 ILE QG1 7.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85, igr1=1157,1158, igr2=1331,1332, &end # # 74 SER QB 100 THR HA 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=1157,1158, &end # # 74 SER QB 101 GLY HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=1157,1158, &end # # 75 ILE HN 75 ILE HG12 5.80 &rst ixpk= 0, nxpk= 0, iat=1164,1174, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 75 ILE HN 75 ILE HG13 5.80 &rst ixpk= 0, nxpk= 0, iat=1164,1175, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 75 ILE HN 75 ILE QG1 5.53 &rst ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=1174,1175, &end # # 75 ILE HN 75 ILE QD1 6.40 &rst ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2=1177,1178,1179, &end # # 75 ILE HN 76 ASP- HN 6.50 &rst ixpk= 0, nxpk= 0, iat=1164,1183, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 75 ILE HN 76 ASP- HA 6.60 &rst ixpk= 0, nxpk= 0, iat=1164,1185, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 75 ILE HA 106 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1661,1662,1663,1665,1666,1667, &end # # 75 ILE QG2 76 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1170,1171,1172, &end # # 75 ILE QG2 106 VAL HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1170,1171,1172, &end # # 75 ILE QG2 106 VAL QQG 9.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.64, r4=16.14, igr1=1170,1171,1172, igr2=1661,1662,1663,1665,1666,1667, &end # # 75 ILE QG2 109 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1170,1171,1172, &end # # 75 ILE QG2 110 ALA QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1170,1171,1172, igr2=1720,1721,1722, &end # # 75 ILE QG2 115 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95, igr1=1170,1171,1172, igr2=1811,1812,1813,1815,1816,1817, &end # # 75 ILE QG2 117 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1170,1171,1172, igr2=1850,1859, &end # # 75 ILE QG2 117 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1170,1171,1172, igr2=1852,1857, &end # # 75 ILE HG12 76 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1174,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 75 ILE HG13 76 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1175,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 75 ILE QD1 76 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1177,1178,1179, &end # # 75 ILE QD1 76 ASP- HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1177,1178,1179, &end # # 75 ILE QD1 110 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1177,1178,1179, &end # # 75 ILE QD1 115 VAL QQG 9.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.12, r4=16.62, igr1=1177,1178,1179, igr2=1811,1812,1813,1815,1816,1817, &end # # 75 ILE QD1 117 TYR QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=1177,1178,1179, igr2=1846,1847, &end # # 75 ILE QD1 117 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1177,1178,1179, igr2=1850,1859, &end # # 75 ILE QD1 117 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1177,1178,1179, igr2=1852,1857, &end # # 75 ILE QD1 118 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1177,1178,1179, &end # # 75 ILE QD1 130 VAL HB 7.40 &rst ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, igr1=1177,1178,1179, &end # # 75 ILE QD1 130 VAL QQG 9.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.80, r4=16.30, igr1=1177,1178,1179, igr2=2043,2044,2045,2047,2048,2049, &end # # 75 ILE QD1 132 HIS HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1177,1178,1179, &end # # 75 ILE QD1 132 HIS HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1177,1178,1179, &end # # 75 ILE QD1 132 HIS HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2070, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1177,1178,1179, &end # # 76 ASP- HN 78 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1183,1209, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 76 ASP- HN 79 ARG+ QD 7.60 &rst ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1234,1235, &end # # 76 ASP- HA 78 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1185,1209, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 76 ASP- HA 130 VAL HB 6.60 &rst ixpk= 0, nxpk= 0, iat=1185,2041, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 76 ASP- HA 130 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=2043,2044,2045,2047,2048,2049, &end # # 77 PRO HA 79 ARG+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1205,1224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 77 PRO HA 80 ASP- HN 4.30 &rst ixpk= 0, nxpk= 0, iat=1205,1248, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 77 PRO HA 101 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1205,1580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 77 PRO HA 106 VAL QQG 8.66 &rst ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17, igr2=1661,1662,1663,1665,1666,1667, &end # # 77 PRO HB2 101 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1202,1580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 77 PRO HB3 101 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1203,1580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 77 PRO QB 78 GLU- HN 4.50 &rst ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1202,1203, &end # # 77 PRO QB 102 THR HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1=1202,1203, &end # # 77 PRO QG 101 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1199,1200, &end # # 77 PRO QG 102 THR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1199,1200, &end # # 77 PRO QG 106 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87, igr1=1199,1200, igr2=1661,1662,1663,1665,1666,1667, &end # # 77 PRO HD2 106 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1661,1662,1663, &end # # 77 PRO HD2 106 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1665,1666,1667, &end # # 77 PRO HD3 106 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1661,1662,1663, &end # # 77 PRO HD3 106 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1665,1666,1667, &end # # 77 PRO QD 100 THR HA 7.18 &rst ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56, igr1=1196,1197, &end # # 77 PRO QD 106 VAL QQG 9.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30, igr1=1196,1197, igr2=1661,1662,1663,1665,1666,1667, &end # # 78 GLU- HN 78 GLU- HB2 4.10 &rst ixpk= 0, nxpk= 0, iat=1209,1213, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 78 GLU- HN 78 GLU- HB3 4.10 &rst ixpk= 0, nxpk= 0, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 78 GLU- HN 78 GLU- HG2 6.40 &rst ixpk= 0, nxpk= 0, iat=1209,1216, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 78 GLU- HN 78 GLU- HG3 6.40 &rst ixpk= 0, nxpk= 0, iat=1209,1217, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 78 GLU- HN 78 GLU- QG 5.55 &rst ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2=1216,1217, &end # # 78 GLU- HN 79 ARG+ HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1209,1224, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 78 GLU- HA 80 ASP- HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1211,1248, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 78 GLU- HB2 79 ARG+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat=1213,1224, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 78 GLU- HB2 128 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2007,2012, &end # # 78 GLU- HB3 79 ARG+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat=1214,1224, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 78 GLU- HB3 128 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2007,2012, &end # # 78 GLU- QB 128 TYR QD 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=1213,1214, igr2=2005,2014, &end # # 78 GLU- HG2 79 ARG+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1216,1224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 78 GLU- HG3 79 ARG+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1217,1224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 78 GLU- QG 128 TYR QE 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=1216,1217, igr2=2007,2012, &end # # 79 ARG+ HN 79 ARG+ HG2 6.60 &rst ixpk= 0, nxpk= 0, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 79 ARG+ HN 79 ARG+ HG3 6.60 &rst ixpk= 0, nxpk= 0, iat=1224,1232, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 79 ARG+ HN 79 ARG+ QG 6.15 &rst ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr2=1231,1232, &end # # 79 ARG+ HN 79 ARG+ QD 7.60 &rst ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1234,1235, &end # # 79 ARG+ HN 80 ASP- HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1224,1248, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 79 ARG+ HA 79 ARG+ QD 7.20 &rst ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr2=1234,1235, &end # # 79 ARG+ HG2 80 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1231,1248, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 79 ARG+ HG3 80 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1232,1248, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 79 ARG+ QD 80 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1234,1235, &end # # 79 ARG+ QD 81 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1234,1235, &end # # 80 ASP- HN 81 THR HN 6.20 &rst ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 80 ASP- HA 82 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1250,1274, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 80 ASP- HA 84 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1250,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 80 ASP- HA 84 ALA QB 4.40 &rst ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=1315,1316,1317, &end # # 80 ASP- QB 84 ALA QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=1252,1253, igr2=1315,1316,1317, &end # # 80 ASP- QB 85 ILE QG1 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18, igr1=1252,1253, igr2=1331,1332, &end # # 80 ASP- QB 85 ILE QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=1252,1253, igr2=1334,1335,1336, &end # # 81 THR HN 82 LYS+ HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1260,1274, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 81 THR HN 84 ALA HA 6.10 &rst ixpk= 0, nxpk= 0, iat=1260,1313, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 81 THR HN 84 ALA QB 4.40 &rst ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=1315,1316,1317, &end # # 81 THR HA 82 LYS+ HB2 4.50 &rst ixpk= 0, nxpk= 0, iat=1262,1278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 THR HA 82 LYS+ HB3 4.50 &rst ixpk= 0, nxpk= 0, iat=1262,1279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 THR HA 83 GLU- HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1262,1296, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 81 THR HA 84 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1262,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 81 THR HB 82 LYS+ HN 4.70 &rst ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 81 THR HB 83 GLU- HN 5.60 &rst ixpk= 0, nxpk= 0, iat=1264,1296, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 81 THR QG2 82 LYS+ HN 7.50 &rst ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr1=1266,1267,1268, &end # # 81 THR QG2 83 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1266,1267,1268, &end # # 81 THR QG2 84 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1266,1267,1268, &end # # 81 THR QG2 84 ALA QB 7.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75, igr1=1266,1267,1268, igr2=1315,1316,1317, &end # # 82 LYS+ HN 82 LYS+ HG2 6.60 &rst ixpk= 0, nxpk= 0, iat=1274,1281, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 82 LYS+ HN 82 LYS+ HG3 6.60 &rst ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 82 LYS+ HN 82 LYS+ QG 6.25 &rst ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr2=1281,1282, &end # # 82 LYS+ HN 82 LYS+ HD2 5.70 &rst ixpk= 0, nxpk= 0, iat=1274,1284, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 82 LYS+ HN 82 LYS+ HD3 5.70 &rst ixpk= 0, nxpk= 0, iat=1274,1285, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 82 LYS+ HN 82 LYS+ QD 5.48 &rst ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1284,1285, &end # # 82 LYS+ HN 82 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1287,1288, &end # # 82 LYS+ HN 83 GLU- HN 5.20 &rst ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 82 LYS+ HA 82 LYS+ HD2 5.30 &rst ixpk= 0, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 82 LYS+ HA 82 LYS+ HD3 5.30 &rst ixpk= 0, nxpk= 0, iat=1276,1285, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 82 LYS+ HA 82 LYS+ QD 5.13 &rst ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=1284,1285, &end # # 82 LYS+ HA 82 LYS+ QE 6.60 &rst ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1287,1288, &end # # 82 LYS+ HA 84 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1276,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 82 LYS+ HA 85 ILE HB 4.50 &rst ixpk= 0, nxpk= 0, iat=1276,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 LYS+ HA 85 ILE QG1 6.88 &rst ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2=1331,1332, &end # # 82 LYS+ HA 85 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1334,1335,1336, &end # # 82 LYS+ HB2 82 LYS+ QE 6.10 &rst ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1287,1288, &end # # 82 LYS+ HB3 82 LYS+ QE 6.10 &rst ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1287,1288, &end # # 82 LYS+ QB 82 LYS+ QE 5.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1=1278,1279, igr2=1287,1288, &end # # 82 LYS+ QB 83 GLU- HN 4.58 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1278,1279, &end # # 82 LYS+ HG2 83 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1281,1296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 82 LYS+ HG3 83 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1282,1296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 82 LYS+ QG 83 GLU- HN 6.39 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr1=1281,1282, &end # # 82 LYS+ HD2 83 GLU- HN 6.00 &rst ixpk= 0, nxpk= 0, iat=1284,1296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 82 LYS+ HD3 83 GLU- HN 6.00 &rst ixpk= 0, nxpk= 0, iat=1285,1296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 82 LYS+ QD 83 GLU- HN 5.69 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=1284,1285, &end # # 82 LYS+ QE 83 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1287,1288, &end # # 83 GLU- HN 83 GLU- HG2 5.20 &rst ixpk= 0, nxpk= 0, iat=1296,1303, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 83 GLU- HN 83 GLU- HG3 5.20 &rst ixpk= 0, nxpk= 0, iat=1296,1304, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 83 GLU- HN 83 GLU- QG 4.93 &rst ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=1303,1304, &end # # 83 GLU- HN 84 ALA HN 5.10 &rst ixpk= 0, nxpk= 0, iat=1296,1311, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 83 GLU- HN 84 ALA QB 5.00 &rst ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2=1315,1316,1317, &end # # 83 GLU- HN 85 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1334,1335,1336, &end # # 83 GLU- HN 86 ALA QB 5.70 &rst ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1344,1345,1346, &end # # 83 GLU- HA 85 ILE HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1298,1321, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 83 GLU- HA 86 ALA HN 5.80 &rst ixpk= 0, nxpk= 0, iat=1298,1340, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 83 GLU- HA 86 ALA QB 4.30 &rst ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1344,1345,1346, &end # # 83 GLU- HA 87 ASN HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1298,1350, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 83 GLU- HB2 84 ALA HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1300,1311, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 83 GLU- HB3 84 ALA HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1301,1311, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 83 GLU- HG2 84 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1303,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 83 GLU- HG3 84 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1304,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 83 GLU- QG 84 ALA HN 6.39 &rst ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr1=1303,1304, &end # # 84 ALA HN 85 ILE HN 5.00 &rst ixpk= 0, nxpk= 0, iat=1311,1321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 84 ALA HN 85 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1327,1328,1329, &end # # 84 ALA HN 85 ILE QG1 7.48 &rst ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1331,1332, &end # # 84 ALA HN 86 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1311,1340, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 84 ALA HN 86 ALA QB 5.60 &rst ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=1344,1345,1346, &end # # 84 ALA HA 86 ALA HN 5.50 &rst ixpk= 0, nxpk= 0, iat=1313,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ALA HA 87 ASN HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1313,1350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 84 ALA HA 87 ASN HB2 5.10 &rst ixpk= 0, nxpk= 0, iat=1313,1354, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 84 ALA HA 87 ASN HB3 5.10 &rst ixpk= 0, nxpk= 0, iat=1313,1355, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 84 ALA QB 85 ILE HA 6.00 &rst ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1315,1316,1317, &end # # 84 ALA QB 85 ILE QG1 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1=1315,1316,1317, igr2=1331,1332, &end # # 84 ALA QB 86 ALA HN 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1315,1316,1317, &end # # 84 ALA QB 87 ASN HN 5.70 &rst ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=1315,1316,1317, &end # # 84 ALA QB 87 ASN QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1=1315,1316,1317, igr2=1354,1355, &end # # 84 ALA QB 87 ASN QD2 8.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92, igr1=1315,1316,1317, igr2=1359,1360, &end # # 85 ILE HN 85 ILE HG12 5.60 &rst ixpk= 0, nxpk= 0, iat=1321,1331, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 85 ILE HN 85 ILE HG13 5.60 &rst ixpk= 0, nxpk= 0, iat=1321,1332, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 85 ILE HN 85 ILE QG1 4.87 &rst ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=1331,1332, &end # # 85 ILE HN 85 ILE QD1 5.90 &rst ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1334,1335,1336, &end # # 85 ILE HN 86 ALA HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1321,1340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 85 ILE HN 86 ALA QB 5.30 &rst ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr2=1344,1345,1346, &end # # 85 ILE HN 87 ASN HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1321,1350, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 85 ILE HA 87 ASN HN 6.00 &rst ixpk= 0, nxpk= 0, iat=1323,1350, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 85 ILE HA 88 TYR HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1323,1364, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 85 ILE HA 88 TYR HB2 5.70 &rst ixpk= 0, nxpk= 0, iat=1323,1368, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 85 ILE HA 88 TYR HB3 5.70 &rst ixpk= 0, nxpk= 0, iat=1323,1369, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 85 ILE HA 88 TYR QB 5.53 &rst ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=1368,1369, &end # # 85 ILE HB 86 ALA HN 4.70 &rst ixpk= 0, nxpk= 0, iat=1325,1340, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 85 ILE HB 87 ASN HN 6.20 &rst ixpk= 0, nxpk= 0, iat=1325,1350, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 85 ILE QG2 86 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 86 ALA QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1327,1328,1329, igr2=1344,1345,1346, &end # # 85 ILE QG2 87 ASN HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 88 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 89 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 97 VAL HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 98 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 98 GLY HA2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 98 GLY HA3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG2 99 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1327,1328,1329, &end # # 85 ILE QG1 86 ALA HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=1331,1332, &end # # 85 ILE QD1 86 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 85 ILE QD1 88 TYR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 85 ILE QD1 98 GLY HA2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 85 ILE QD1 98 GLY HA3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 85 ILE QD1 99 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 85 ILE QD1 100 THR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 85 ILE QD1 100 THR HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 85 ILE QD1 100 THR QG2 6.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59, igr1=1334,1335,1336, igr2=1572,1573,1574, &end # # 85 ILE QD1 100 THR HG1 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1334,1335,1336, &end # # 86 ALA HN 87 ASN HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1340,1350, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 86 ALA HN 89 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1391,1392,1393,1395,1396,1397, &end # # 86 ALA HA 88 TYR HN 6.50 &rst ixpk= 0, nxpk= 0, iat=1342,1364, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 86 ALA HA 89 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1342,1385, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 86 ALA HA 89 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1342,1389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 86 ALA HA 89 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1391,1392,1393, &end # # 86 ALA HA 89 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1395,1396,1397, &end # # 86 ALA QB 87 ASN HA 5.40 &rst ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1344,1345,1346, &end # # 86 ALA QB 89 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1344,1345,1346, &end # # 86 ALA QB 89 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95, igr1=1344,1345,1346, igr2=1391,1392,1393,1395,1396,1397, &end # # 87 ASN HN 87 ASN HB2 4.20 &rst ixpk= 0, nxpk= 0, iat=1350,1354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 87 ASN HN 87 ASN HB3 4.20 &rst ixpk= 0, nxpk= 0, iat=1350,1355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 87 ASN HN 87 ASN HD21 6.40 &rst ixpk= 0, nxpk= 0, iat=1350,1359, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 87 ASN HN 87 ASN HD22 6.40 &rst ixpk= 0, nxpk= 0, iat=1350,1360, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 87 ASN HN 87 ASN QD2 6.05 &rst ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr2=1359,1360, &end # # 87 ASN HN 89 VAL HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1350,1385, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 87 ASN HN 89 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1391,1392,1393,1395,1396,1397, &end # # 87 ASN HN 90 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1350,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 87 ASN HA 87 ASN HD21 5.90 &rst ixpk= 0, nxpk= 0, iat=1352,1359, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 87 ASN HA 87 ASN HD22 5.90 &rst ixpk= 0, nxpk= 0, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 87 ASN HA 90 LYS+ HN 6.00 &rst ixpk= 0, nxpk= 0, iat=1352,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 87 ASN HA 90 LYS+ QE 6.10 &rst ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1414,1415, &end # # 87 ASN HB2 88 TYR HN 4.40 &rst ixpk= 0, nxpk= 0, iat=1354,1364, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 87 ASN HB2 90 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1354,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 87 ASN HB3 88 TYR HN 4.40 &rst ixpk= 0, nxpk= 0, iat=1355,1364, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 87 ASN HB3 90 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1355,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 87 ASN QB 90 LYS+ HN 6.44 &rst ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1=1354,1355, &end # # 87 ASN QD2 89 VAL HB 7.47 &rst ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr1=1359,1360, &end # # 88 TYR HN 88 TYR QE 7.60 &rst ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1374,1379, &end # # 88 TYR HN 89 VAL HN 5.10 &rst ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 88 TYR HN 89 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1391,1392,1393, &end # # 88 TYR HN 89 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1395,1396,1397, &end # # 88 TYR HN 90 LYS+ HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1364,1401, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 88 TYR HN 91 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1364,1423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 88 TYR HA 91 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1366,1423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 88 TYR HA 91 GLU- HG2 6.40 &rst ixpk= 0, nxpk= 0, iat=1366,1430, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 88 TYR HA 91 GLU- HG3 6.40 &rst ixpk= 0, nxpk= 0, iat=1366,1431, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 88 TYR HA 91 GLU- QG 6.24 &rst ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2=1430,1431, &end # # 88 TYR HB2 89 VAL HN 6.40 &rst ixpk= 0, nxpk= 0, iat=1368,1385, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 88 TYR HB3 89 VAL HN 6.40 &rst ixpk= 0, nxpk= 0, iat=1369,1385, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 88 TYR QB 89 VAL QQG 10.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69, igr1=1368,1369, igr2=1391,1392,1393,1395,1396,1397, &end # # 88 TYR QD 89 VAL QQG 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1372,1381, igr2=1391,1392,1393,1395,1396,1397, &end # # 88 TYR QE 89 VAL HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1374,1379, &end # # 88 TYR QE 92 PHE QD 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1=1374,1379, igr2=1446,1454, &end # # 88 TYR QE 92 PHE QE 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1=1374,1379, igr2=1448,1452, &end # # 88 TYR QE 92 PHE HZ 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1374,1379, &end # # 89 VAL HN 90 LYS+ HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 89 VAL HN 91 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1385,1423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 89 VAL HN 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 89 VAL HN 96 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1518,1519,1520,1514,1515,1516, &end # # 89 VAL HA 92 PHE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1387,1438, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 89 VAL HA 92 PHE QD 8.30 &rst ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82, igr2=1446,1454, &end # # 89 VAL HA 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 89 VAL HA 96 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1518,1519,1520,1514,1515,1516, &end # # 89 VAL QG1 90 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1391,1392,1393, &end # # 89 VAL QG1 90 LYS+ HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1391,1392,1393, &end # # 89 VAL QG1 98 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1391,1392,1393, &end # # 89 VAL QG2 90 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1395,1396,1397, &end # # 89 VAL QG2 90 LYS+ HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1395,1396,1397, &end # # 89 VAL QG2 98 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1395,1396,1397, &end # # 89 VAL QQG 90 LYS+ HN 7.19 &rst ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19, igr1=1391,1392,1393,1395,1396,1397, &end # # 89 VAL QQG 91 GLU- HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1391,1392,1393,1395,1396,1397, &end # # 89 VAL QQG 92 PHE HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1391,1392,1393,1395,1396,1397, &end # # 89 VAL QQG 92 PHE QE 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1391,1392,1393,1395,1396,1397, igr2=1448,1452, &end # # 89 VAL QQG 93 SER HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1391,1392,1393,1395,1396,1397, &end # # 89 VAL QQG 97 VAL HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1391,1392,1393,1395,1396,1397, &end # # 89 VAL QQG 97 VAL HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1391,1392,1393,1395,1396,1397, &end # # 89 VAL QQG 98 GLY QA 10.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69, igr1=1391,1392,1393,1395,1396,1397, igr2=1542,1543, &end # # 90 LYS+ HN 90 LYS+ QG 6.30 &rst ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=1408,1409, &end # # 90 LYS+ HN 90 LYS+ QD 6.80 &rst ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr2=1411,1412, &end # # 90 LYS+ HN 90 LYS+ QE 7.10 &rst ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr2=1414,1415, &end # # 90 LYS+ HN 91 GLU- HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1401,1423, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 90 LYS+ HN 91 GLU- HG2 6.40 &rst ixpk= 0, nxpk= 0, iat=1401,1430, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 90 LYS+ HN 91 GLU- HG3 6.40 &rst ixpk= 0, nxpk= 0, iat=1401,1431, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 90 LYS+ HN 91 GLU- QG 5.90 &rst ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1430,1431, &end # # 90 LYS+ HN 92 PHE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1401,1438, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 90 LYS+ HN 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 90 LYS+ HA 90 LYS+ QD 6.70 &rst ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr2=1411,1412, &end # # 90 LYS+ HA 90 LYS+ QE 6.50 &rst ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, igr2=1414,1415, &end # # 90 LYS+ HA 93 SER HN 5.60 &rst ixpk= 0, nxpk= 0, iat=1403,1458, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 90 LYS+ QB 90 LYS+ QE 7.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57, igr1=1405,1406, igr2=1414,1415, &end # # 90 LYS+ QB 91 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1405,1406, &end # # 90 LYS+ QG 91 GLU- HN 7.10 &rst ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr1=1408,1409, &end # # 90 LYS+ QG 93 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1408,1409, &end # # 90 LYS+ QD 91 GLU- HN 7.30 &rst ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1=1411,1412, &end # # 90 LYS+ QD 93 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1411,1412, &end # # 90 LYS+ QE 91 GLU- HN 7.50 &rst ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, igr1=1414,1415, &end # # 91 GLU- HN 91 GLU- HG2 4.50 &rst ixpk= 0, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU- HN 91 GLU- HG3 4.50 &rst ixpk= 0, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU- HN 92 PHE HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1423,1438, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 91 GLU- HN 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 91 GLU- HN 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 91 GLU- HA 92 PHE HA 4.70 &rst ixpk= 0, nxpk= 0, iat=1425,1440, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 91 GLU- HA 92 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1446,1454, &end # # 91 GLU- HA 92 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1448,1452, &end # # 91 GLU- HA 93 SER HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1425,1458, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 91 GLU- HB2 92 PHE HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1427,1438, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 91 GLU- HB3 92 PHE HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1428,1438, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 91 GLU- HG2 92 PHE HN 6.20 &rst ixpk= 0, nxpk= 0, iat=1430,1438, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 91 GLU- HG3 92 PHE HN 6.20 &rst ixpk= 0, nxpk= 0, iat=1431,1438, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 91 GLU- QG 92 PHE HN 5.84 &rst ixpk= 0, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=1430,1431, &end # # 92 PHE HN 92 PHE QE 7.60 &rst ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1448,1452, &end # # 92 PHE HN 93 SER QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1462,1463, &end # # 92 PHE HN 96 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1509,1510, &end # # 92 PHE HN 96 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1518,1519,1520,1514,1515,1516, &end # # 92 PHE HA 92 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat=1440,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 92 PHE HB2 93 SER HN 5.10 &rst ixpk= 0, nxpk= 0, iat=1442,1458, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 92 PHE HB2 96 LEU HN 6.40 &rst ixpk= 0, nxpk= 0, iat=1442,1505, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 92 PHE HB2 96 LEU QD1 10.74 &rst ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=1514,1515,1516, &end # # 92 PHE HB2 96 LEU QD2 10.74 &rst ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=1518,1519,1520, &end # # 92 PHE HB3 93 SER HN 5.10 &rst ixpk= 0, nxpk= 0, iat=1443,1458, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 92 PHE HB3 96 LEU HN 6.40 &rst ixpk= 0, nxpk= 0, iat=1443,1505, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 92 PHE HB3 96 LEU QD1 10.74 &rst ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=1514,1515,1516, &end # # 92 PHE HB3 96 LEU QD2 10.74 &rst ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr2=1518,1519,1520, &end # # 92 PHE QB 93 SER HA 5.18 &rst ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1442,1443, &end # # 92 PHE QB 96 LEU HN 5.76 &rst ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1442,1443, &end # # 92 PHE QB 96 LEU QQD 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31, igr1=1442,1443, igr2=1518,1519,1520,1514,1515,1516, &end # # 92 PHE QD 93 SER HN 8.50 &rst ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04, igr1=1446,1454, &end # # 92 PHE QE 93 SER HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1448,1452, &end # # 92 PHE QE 96 LEU QQD 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1=1448,1452, igr2=1518,1519,1520,1514,1515,1516, &end # # 93 SER HN 94 PRO QB 7.03 &rst ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39, igr2=1476,1477, &end # # 93 SER HN 95 LYS+ HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1458,1483, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 93 SER HN 96 LEU HN 5.90 &rst ixpk= 0, nxpk= 0, iat=1458,1505, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 93 SER HN 96 LEU HB2 6.40 &rst ixpk= 0, nxpk= 0, iat=1458,1509, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 93 SER HN 96 LEU HB3 6.40 &rst ixpk= 0, nxpk= 0, iat=1458,1510, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 93 SER HN 96 LEU QB 6.04 &rst ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr2=1509,1510, &end # # 93 SER HN 96 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1518,1519,1520,1514,1515,1516, &end # # 93 SER HA 95 LYS+ HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1460,1483, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 93 SER HA 96 LEU HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1460,1505, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 93 SER QB 95 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1462,1463, &end # # 93 SER QB 96 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1462,1463, &end # # 93 SER QB 96 LEU QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18, igr1=1462,1463, igr2=1509,1510, &end # # 94 PRO HA 96 LEU HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1479,1505, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 94 PRO HD2 96 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1470,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 94 PRO HD3 96 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1471,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 95 LYS+ HN 95 LYS+ QG 6.40 &rst ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2=1490,1491, &end # # 95 LYS+ HN 95 LYS+ QD 6.80 &rst ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr2=1493,1494, &end # # 95 LYS+ HN 96 LEU HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1483,1505, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 95 LYS+ HN 96 LEU QB 6.48 &rst ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2=1509,1510, &end # # 95 LYS+ HA 95 LYS+ QD 5.80 &rst ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=1493,1494, &end # # 95 LYS+ QG 96 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1490,1491, &end # # 95 LYS+ QD 96 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1493,1494, &end # # 96 LEU HN 96 LEU HG 6.10 &rst ixpk= 0, nxpk= 0, iat=1505,1512, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 96 LEU HN 96 LEU QD1 6.30 &rst ixpk= 0, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr2=1514,1515,1516, &end # # 96 LEU HN 96 LEU QD2 6.30 &rst ixpk= 0, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr2=1518,1519,1520, &end # # 96 LEU HN 96 LEU QQD 6.00 &rst ixpk= 0, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59, igr2=1518,1519,1520,1514,1515,1516, &end # # 96 LEU HN 97 VAL HN 6.20 &rst ixpk= 0, nxpk= 0, iat=1505,1524, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 96 LEU HA 96 LEU QD1 7.40 &rst ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, igr2=1514,1515,1516, &end # # 96 LEU HA 96 LEU QD2 7.40 &rst ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, igr2=1518,1519,1520, &end # # 96 LEU HB2 97 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1509,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 96 LEU HB3 97 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1510,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 96 LEU QB 97 VAL HN 5.88 &rst ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1=1509,1510, &end # # 96 LEU QD1 97 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1514,1515,1516, &end # # 96 LEU QD2 97 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1518,1519,1520, &end # # 97 VAL HN 98 GLY HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1524,1540, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 97 VAL HB 98 GLY HN 6.50 &rst ixpk= 0, nxpk= 0, iat=1528,1540, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 97 VAL HB 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 97 VAL QQG 98 GLY HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1530,1531,1532,1534,1535,1536, &end # # 98 GLY HN 99 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1540,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 98 GLY HN 99 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=1560,1561,1562,1556,1557,1558, &end # # 98 GLY QA 99 LEU QQD 10.05 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71, igr1=1542,1543, igr2=1560,1561,1562,1556,1557,1558, &end # # 99 LEU HN 99 LEU HG 5.40 &rst ixpk= 0, nxpk= 0, iat=1547,1554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 99 LEU HN 99 LEU QD1 6.50 &rst ixpk= 0, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2=1556,1557,1558, &end # # 99 LEU HN 99 LEU QD2 6.50 &rst ixpk= 0, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2=1560,1561,1562, &end # # 99 LEU HN 99 LEU QQD 6.15 &rst ixpk= 0, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2=1560,1561,1562,1556,1557,1558, &end # # 99 LEU HN 100 THR HN 6.50 &rst ixpk= 0, nxpk= 0, iat=1547,1566, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 99 LEU HA 99 LEU QD1 6.90 &rst ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2=1556,1557,1558, &end # # 99 LEU HA 99 LEU QD2 6.90 &rst ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2=1560,1561,1562, &end # # 99 LEU HA 100 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1572,1573,1574, &end # # 99 LEU HB2 100 THR HN 5.80 &rst ixpk= 0, nxpk= 0, iat=1551,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 99 LEU HB3 100 THR HN 5.80 &rst ixpk= 0, nxpk= 0, iat=1552,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 99 LEU QB 100 THR HN 5.53 &rst ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=1551,1552, &end # # 99 LEU HG 100 THR HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1554,1566, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 99 LEU QD1 100 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1556,1557,1558, &end # # 99 LEU QD2 100 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1560,1561,1562, &end # # 99 LEU QQD 100 THR HN 7.28 &rst ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31, igr1=1560,1561,1562,1556,1557,1558, &end # # 100 THR HN 100 THR HG1 5.60 &rst ixpk= 0, nxpk= 0, iat=1566,1576, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 100 THR HN 101 GLY HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1566,1580, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 100 THR HA 106 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr2=1661,1662,1663,1665,1666,1667, &end # # 100 THR HB 101 GLY HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1570,1580, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 100 THR QG2 101 GLY HN 7.40 &rst ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, igr1=1572,1573,1574, &end # # 100 THR HG1 101 GLY HN 5.90 &rst ixpk= 0, nxpk= 0, iat=1576,1580, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 101 GLY HN 102 THR HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 101 GLY HN 102 THR HB 6.60 &rst ixpk= 0, nxpk= 0, iat=1580,1591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 101 GLY HN 102 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1593,1594,1595, &end # # 101 GLY HN 105 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1647,1648, &end # # 101 GLY HN 106 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1580,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 101 GLY HN 106 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1661,1662,1663, &end # # 101 GLY HN 106 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1665,1666,1667, &end # # 101 GLY HA2 102 THR QG2 5.90 &rst ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1593,1594,1595, &end # # 101 GLY HA2 105 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1647,1648, &end # # 101 GLY HA3 102 THR QG2 5.90 &rst ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1593,1594,1595, &end # # 101 GLY HA3 105 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1647,1648, &end # # 101 GLY QA 102 THR QG2 5.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16, igr1=1582,1583, igr2=1593,1594,1595, &end # # 102 THR HN 102 THR HG1 6.60 &rst ixpk= 0, nxpk= 0, iat=1587,1597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 102 THR HN 103 ARG+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1587,1601, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 102 THR HN 105 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1587,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 102 THR HN 105 GLU- HA 6.60 &rst ixpk= 0, nxpk= 0, iat=1587,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 102 THR HN 105 GLU- QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1644,1645, &end # # 102 THR HN 105 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1647,1648, &end # # 102 THR HN 106 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1587,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 102 THR HN 106 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1661,1662,1663, &end # # 102 THR HN 106 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1665,1666,1667, &end # # 102 THR HA 104 GLU- HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1589,1625, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 102 THR HA 105 GLU- HN 6.50 &rst ixpk= 0, nxpk= 0, iat=1589,1640, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 102 THR HB 103 ARG+ HN 5.90 &rst ixpk= 0, nxpk= 0, iat=1591,1601, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 102 THR QG2 103 ARG+ HN 6.90 &rst ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr1=1593,1594,1595, &end # # 102 THR QG2 104 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1593,1594,1595, &end # # 102 THR QG2 105 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1593,1594,1595, &end # # 102 THR QG2 105 GLU- QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=1593,1594,1595, igr2=1644,1645, &end # # 102 THR QG2 105 GLU- QG 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=1593,1594,1595, igr2=1647,1648, &end # # 102 THR HG1 103 ARG+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1597,1601, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 102 THR HG1 104 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1597,1625, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 102 THR HG1 105 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1597,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HN 103 ARG+ HG2 5.70 &rst ixpk= 0, nxpk= 0, iat=1601,1608, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 103 ARG+ HN 103 ARG+ HG3 5.70 &rst ixpk= 0, nxpk= 0, iat=1601,1609, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 103 ARG+ HN 103 ARG+ QG 5.43 &rst ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1608,1609, &end # # 103 ARG+ HN 103 ARG+ HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=1601,1611, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HN 103 ARG+ HD3 6.60 &rst ixpk= 0, nxpk= 0, iat=1601,1612, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HN 103 ARG+ QD 6.25 &rst ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr2=1611,1612, &end # # 103 ARG+ HN 104 GLU- HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1601,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 103 ARG+ HN 104 GLU- QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1629,1630, &end # # 103 ARG+ HN 105 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1601,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HN 106 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1601,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HN 106 VAL HB 6.60 &rst ixpk= 0, nxpk= 0, iat=1601,1659, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HN 106 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1661,1662,1663,1665,1666,1667, &end # # 103 ARG+ HA 103 ARG+ HD2 5.50 &rst ixpk= 0, nxpk= 0, iat=1603,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 ARG+ HA 103 ARG+ HD3 5.50 &rst ixpk= 0, nxpk= 0, iat=1603,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 ARG+ HA 103 ARG+ QD 5.28 &rst ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1611,1612, &end # # 103 ARG+ HA 103 ARG+ HE 6.60 &rst ixpk= 0, nxpk= 0, iat=1603,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HA 105 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1603,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HA 106 VAL HN 6.20 &rst ixpk= 0, nxpk= 0, iat=1603,1655, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 103 ARG+ HA 106 VAL HB 4.30 &rst ixpk= 0, nxpk= 0, iat=1603,1659, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 103 ARG+ HA 106 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1661,1662,1663,1665,1666,1667, &end # # 103 ARG+ HA 107 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1603,1671, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ QB 103 ARG+ HE 7.50 &rst ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, igr1=1605,1606, &end # # 103 ARG+ QG 104 GLU- HN 6.68 &rst ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1=1608,1609, &end # # 103 ARG+ HD2 104 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1611,1625, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 103 ARG+ HD3 104 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1612,1625, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 104 GLU- HN 105 GLU- HN 5.50 &rst ixpk= 0, nxpk= 0, iat=1625,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 GLU- HN 105 GLU- QG 7.00 &rst ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1647,1648, &end # # 104 GLU- HN 106 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1661,1662,1663, &end # # 104 GLU- HN 106 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1665,1666,1667, &end # # 104 GLU- HA 107 ASP- HN 5.90 &rst ixpk= 0, nxpk= 0, iat=1627,1671, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 104 GLU- HA 107 ASP- HB2 5.00 &rst ixpk= 0, nxpk= 0, iat=1627,1675, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 104 GLU- HA 107 ASP- HB3 5.00 &rst ixpk= 0, nxpk= 0, iat=1627,1676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 105 GLU- HN 105 GLU- QG 6.30 &rst ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=1647,1648, &end # # 105 GLU- HN 106 VAL HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1640,1655, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 105 GLU- HN 106 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1661,1662,1663, &end # # 105 GLU- HN 106 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1665,1666,1667, &end # # 105 GLU- HA 107 ASP- HN 4.20 &rst ixpk= 0, nxpk= 0, iat=1642,1671, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 105 GLU- QB 108 GLN HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1644,1645, &end # # 105 GLU- QG 106 VAL HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1647,1648, &end # # 105 GLU- QG 107 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1647,1648, &end # # 106 VAL HA 108 GLN HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1657,1683, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 106 VAL HA 109 VAL HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1657,1700, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 106 VAL HA 109 VAL HB 6.20 &rst ixpk= 0, nxpk= 0, iat=1657,1704, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 106 VAL HA 109 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1657, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1706,1707,1708,1710,1711,1712, &end # # 106 VAL HB 107 ASP- HN 5.00 &rst ixpk= 0, nxpk= 0, iat=1659,1671, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 106 VAL QG1 107 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1661,1662,1663, &end # # 106 VAL QG1 110 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1661,1662,1663, &end # # 106 VAL QG2 107 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1665,1666,1667, &end # # 106 VAL QG2 110 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1665,1666,1667, &end # # 106 VAL QQG 108 GLN HN 5.66 &rst ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr1=1661,1662,1663,1665,1666,1667, &end # # 106 VAL QQG 109 VAL HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1661,1662,1663,1665,1666,1667, &end # # 106 VAL QQG 109 VAL QQG 11.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=20.57, r4=21.07, igr1=1661,1662,1663,1665,1666,1667, igr2=1706,1707,1708,1710,1711,1712, &end # # 106 VAL QQG 110 ALA QB 9.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.64, r4=16.14, igr1=1661,1662,1663,1665,1666,1667, igr2=1720,1721,1722, &end # # 107 ASP- HN 108 GLN HN 5.20 &rst ixpk= 0, nxpk= 0, iat=1671,1683, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 107 ASP- HN 109 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1671,1700, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 107 ASP- HA 110 ALA HN 5.90 &rst ixpk= 0, nxpk= 0, iat=1673,1716, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 107 ASP- HA 110 ALA QB 4.90 &rst ixpk= 0, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=1720,1721,1722, &end # # 107 ASP- HA 117 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1852,1857, &end # # 107 ASP- HB2 108 GLN HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1675,1683, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 107 ASP- HB3 108 GLN HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1676,1683, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 108 GLN HN 108 GLN HG2 4.90 &rst ixpk= 0, nxpk= 0, iat=1683,1690, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 108 GLN HN 108 GLN HG3 4.90 &rst ixpk= 0, nxpk= 0, iat=1683,1691, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 108 GLN HN 108 GLN HE21 6.20 &rst ixpk= 0, nxpk= 0, iat=1683,1695, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 108 GLN HN 108 GLN HE22 6.20 &rst ixpk= 0, nxpk= 0, iat=1683,1696, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 108 GLN HN 108 GLN QE2 5.94 &rst ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr2=1695,1696, &end # # 108 GLN HN 109 VAL HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1683,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 108 GLN HN 109 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1706,1707,1708,1710,1711,1712, &end # # 108 GLN HN 110 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1683,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 108 GLN HN 111 ARG+ HN 6.20 &rst ixpk= 0, nxpk= 0, iat=1683,1726, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 108 GLN HN 111 ARG+ QD 7.48 &rst ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=1736,1737, &end # # 108 GLN HA 108 GLN QE2 5.57 &rst ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr2=1695,1696, &end # # 108 GLN HA 110 ALA HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1685,1716, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 108 GLN HA 111 ARG+ QD 6.88 &rst ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2=1736,1737, &end # # 108 GLN HA 111 ARG+ QD 6.88 &rst ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2=1736,1737, &end # # 108 GLN HB2 108 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat=1687,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 108 GLN HB2 108 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat=1687,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 108 GLN HB2 109 VAL HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1687,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 108 GLN HB2 109 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1706,1707,1708, &end # # 108 GLN HB2 109 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1710,1711,1712, &end # # 108 GLN HB2 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 108 GLN HB3 108 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat=1688,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 108 GLN HB3 108 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat=1688,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 108 GLN HB3 109 VAL HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1688,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 108 GLN HB3 109 VAL QG1 10.72 &rst ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1706,1707,1708, &end # # 108 GLN HB3 109 VAL QG2 10.72 &rst ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37, igr2=1710,1711,1712, &end # # 108 GLN HB3 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 108 GLN QB 109 VAL QQG 9.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30, igr1=1687,1688, igr2=1706,1707,1708,1710,1711,1712, &end # # 108 GLN QB 112 ALA HN 5.88 &rst ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1=1687,1688, &end # # 108 GLN HG2 109 VAL HN 4.50 &rst ixpk= 0, nxpk= 0, iat=1690,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 GLN HG2 112 ALA HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1690,1750, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 108 GLN HG2 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 108 GLN HG3 109 VAL HN 4.50 &rst ixpk= 0, nxpk= 0, iat=1691,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 GLN HG3 112 ALA HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1691,1750, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 108 GLN HG3 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1691, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 108 GLN HE21 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 108 GLN HE22 112 ALA QB 7.60 &rst ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1754,1755,1756, &end # # 108 GLN QE2 109 VAL HA 7.47 &rst ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, igr1=1695,1696, &end # # 108 GLN QE2 112 ALA QB 6.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90, igr1=1695,1696, igr2=1754,1755,1756, &end # # 109 VAL HN 110 ALA HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1700,1716, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 109 VAL HN 111 ARG+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1700,1726, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 109 VAL HA 112 ALA HN 5.60 &rst ixpk= 0, nxpk= 0, iat=1702,1750, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 109 VAL HA 112 ALA QB 4.60 &rst ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=1754,1755,1756, &end # # 109 VAL HA 113 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1770,1775, &end # # 109 VAL HB 110 ALA HN 5.60 &rst ixpk= 0, nxpk= 0, iat=1704,1716, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 109 VAL QG1 110 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1706,1707,1708, &end # # 109 VAL QG2 110 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1710,1711,1712, &end # # 109 VAL QQG 110 ALA HN 6.85 &rst ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73, igr1=1706,1707,1708,1710,1711,1712, &end # # 109 VAL QQG 112 ALA HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1706,1707,1708,1710,1711,1712, &end # # 109 VAL QQG 113 TYR QD 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1706,1707,1708,1710,1711,1712, igr2=1768,1777, &end # # 109 VAL QQG 113 TYR QE 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1706,1707,1708,1710,1711,1712, igr2=1770,1775, &end # # 109 VAL QQG 113 TYR HH 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1706,1707,1708,1710,1711,1712, &end # # 110 ALA HN 111 ARG+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1716,1726, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 110 ALA HN 111 ARG+ HB2 5.70 &rst ixpk= 0, nxpk= 0, iat=1716,1730, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 110 ALA HN 111 ARG+ HB3 5.70 &rst ixpk= 0, nxpk= 0, iat=1716,1731, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 110 ALA HN 111 ARG+ QB 5.06 &rst ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1730,1731, &end # # 110 ALA HN 112 ALA HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1716,1750, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 110 ALA HN 112 ALA QB 4.90 &rst ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=1754,1755,1756, &end # # 110 ALA HN 113 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1768,1777, &end # # 110 ALA HN 115 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1811,1812,1813,1815,1816,1817, &end # # 110 ALA HA 112 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1718,1750, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 110 ALA HA 113 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1718,1760, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 110 ALA HA 113 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1768,1777, &end # # 110 ALA HA 115 VAL HN 4.50 &rst ixpk= 0, nxpk= 0, iat=1718,1805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 ALA HA 115 VAL HB 5.40 &rst ixpk= 0, nxpk= 0, iat=1718,1809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 110 ALA HA 115 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1811,1812,1813, &end # # 110 ALA HA 115 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1815,1816,1817, &end # # 110 ALA QB 115 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95, igr1=1720,1721,1722, igr2=1811,1812,1813,1815,1816,1817, &end # # 110 ALA QB 117 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1720,1721,1722, igr2=1850,1859, &end # # 110 ALA QB 117 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1720,1721,1722, igr2=1852,1857, &end # # 111 ARG+ HN 111 ARG+ QG 6.40 &rst ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2=1733,1734, &end # # 111 ARG+ HN 111 ARG+ HD2 5.70 &rst ixpk= 0, nxpk= 0, iat=1726,1736, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 111 ARG+ HN 111 ARG+ HD3 5.70 &rst ixpk= 0, nxpk= 0, iat=1726,1737, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 111 ARG+ HN 111 ARG+ QD 7.60 &rst ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1736,1737, &end # # 111 ARG+ HN 112 ALA HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1726,1750, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 111 ARG+ HA 111 ARG+ HD2 5.40 &rst ixpk= 0, nxpk= 0, iat=1728,1736, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 111 ARG+ HA 111 ARG+ HD3 5.40 &rst ixpk= 0, nxpk= 0, iat=1728,1737, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 111 ARG+ HA 111 ARG+ QD 4.99 &rst ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1736,1737, &end # # 111 ARG+ HA 111 ARG+ QD 4.99 &rst ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=1736,1737, &end # # 111 ARG+ HB2 111 ARG+ HD2 3.90 &rst ixpk= 0, nxpk= 0, iat=1730,1736, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 111 ARG+ HB2 111 ARG+ HD3 3.90 &rst ixpk= 0, nxpk= 0, iat=1730,1737, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 111 ARG+ HB2 112 ALA HN 5.00 &rst ixpk= 0, nxpk= 0, iat=1730,1750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 111 ARG+ HB3 111 ARG+ HD2 3.90 &rst ixpk= 0, nxpk= 0, iat=1731,1736, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 111 ARG+ HB3 111 ARG+ HD3 3.90 &rst ixpk= 0, nxpk= 0, iat=1731,1737, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 111 ARG+ HB3 112 ALA HN 5.00 &rst ixpk= 0, nxpk= 0, iat=1731,1750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 111 ARG+ QB 111 ARG+ QD 3.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1730,1731, igr2=1736,1737, &end # # 111 ARG+ QG 112 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1733,1734, &end # # 111 ARG+ HD2 112 ALA HN 6.40 &rst ixpk= 0, nxpk= 0, iat=1736,1750, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 111 ARG+ HD3 112 ALA HN 6.40 &rst ixpk= 0, nxpk= 0, iat=1737,1750, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 111 ARG+ QD 112 ALA HN 6.09 &rst ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, igr1=1736,1737, &end # # 112 ALA HN 113 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1768,1777, &end # # 112 ALA HN 114 ARG+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1750,1781, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 112 ALA HN 115 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1811,1812,1813,1815,1816,1817, &end # # 112 ALA HA 113 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1770,1775, &end # # 112 ALA QB 113 TYR HN 3.80 &rst ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=1754,1755,1756, &end # # 112 ALA QB 113 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1754,1755,1756, igr2=1768,1777, &end # # 112 ALA QB 113 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1754,1755,1756, igr2=1770,1775, &end # # 112 ALA QB 113 TYR HH 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1754,1755,1756, &end # # 112 ALA QB 114 ARG+ HN 6.00 &rst ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=1754,1755,1756, &end # # 113 TYR HN 113 TYR QE 7.60 &rst ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=1770,1775, &end # # 113 TYR HN 114 ARG+ HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1760,1781, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 113 TYR HN 115 VAL HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1760,1805, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 113 TYR HN 115 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1811,1812,1813, &end # # 113 TYR HN 115 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=1815,1816,1817, &end # # 113 TYR HA 115 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1811,1812,1813,1815,1816,1817, &end # # 113 TYR QB 115 VAL HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1764,1765, &end # # 113 TYR QB 115 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87, igr1=1764,1765, igr2=1811,1812,1813,1815,1816,1817, &end # # 113 TYR QD 113 TYR HH 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1768,1777, &end # # 113 TYR QD 115 VAL QQG 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1768,1777, igr2=1811,1812,1813,1815,1816,1817, &end # # 113 TYR QD 137 TYR QD 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1=1768,1777, igr2=2159,2168, &end # # 113 TYR QE 113 TYR HH 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1770,1775, &end # # 113 TYR QE 115 VAL QQG 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1770,1775, igr2=1811,1812,1813,1815,1816,1817, &end # # 113 TYR HH 139 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2197,2198,2199, &end # # 113 TYR HH 139 ILE HG12 6.60 &rst ixpk= 0, nxpk= 0, iat=1773,2201, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 113 TYR HH 139 ILE HG13 6.60 &rst ixpk= 0, nxpk= 0, iat=1773,2202, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 113 TYR HH 139 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2204,2205,2206, &end # # 113 TYR HH 145 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1773, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2273,2281, &end # # 114 ARG+ HN 114 ARG+ QD 7.30 &rst ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2=1791,1792, &end # # 114 ARG+ HN 115 VAL HN 5.80 &rst ixpk= 0, nxpk= 0, iat=1781,1805, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 114 ARG+ HN 115 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=1811,1812,1813,1815,1816,1817, &end # # 114 ARG+ HA 114 ARG+ QD 7.50 &rst ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, igr2=1791,1792, &end # # 114 ARG+ HA 115 VAL HN 3.60 &rst ixpk= 0, nxpk= 0, iat=1783,1805, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 115 VAL HA 116 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1829,1838, &end # # 115 VAL HA 133 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2088,2089,2090, &end # # 115 VAL HB 116 TYR HA 6.40 &rst ixpk= 0, nxpk= 0, iat=1809,1823, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 115 VAL QG1 116 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1811,1812,1813, &end # # 115 VAL QG1 117 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1811,1812,1813, igr2=1850,1859, &end # # 115 VAL QG1 117 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1811,1812,1813, igr2=1852,1857, &end # # 115 VAL QG1 133 THR QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1811,1812,1813, igr2=2088,2089,2090, &end # # 115 VAL QG2 116 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=1815,1816,1817, &end # # 115 VAL QG2 117 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1815,1816,1817, igr2=1850,1859, &end # # 115 VAL QG2 117 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1815,1816,1817, igr2=1852,1857, &end # # 115 VAL QG2 133 THR QG2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=1815,1816,1817, igr2=2088,2089,2090, &end # # 115 VAL QQG 116 TYR HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1811,1812,1813,1815,1816,1817, &end # # 115 VAL QQG 117 TYR HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1811,1812,1813,1815,1816,1817, &end # # 115 VAL QQG 132 HIS HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1811,1812,1813,1815,1816,1817, &end # # 115 VAL QQG 133 THR HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=1811,1812,1813,1815,1816,1817, &end # # 115 VAL QQG 137 TYR QD 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1811,1812,1813,1815,1816,1817, igr2=2159,2168, &end # # 115 VAL QQG 137 TYR QE 11.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39, igr1=1811,1812,1813,1815,1816,1817, igr2=2161,2166, &end # # 116 TYR HA 117 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=1850,1859, &end # # 116 TYR QD 117 TYR HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1842, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1829,1838, &end # # 116 TYR QD 132 HIS HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1829,1838, &end # # 116 TYR QD 133 THR QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1829,1838, igr2=2088,2089,2090, &end # # 116 TYR QE 117 TYR HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1842, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 117 TYR HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 118 SER HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 118 SER HB2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 118 SER HB3 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 131 ASP- HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 131 ASP- HB2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2057, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 131 ASP- HB3 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 132 HIS HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1831,1836, &end # # 116 TYR QE 133 THR QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=1831,1836, igr2=2088,2089,2090, &end # # 117 TYR HN 117 TYR QE 6.90 &rst ixpk= 0, nxpk= 0, iat=1842, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=1852,1857, &end # # 117 TYR HA 130 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1844, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=2043,2044,2045,2047,2048,2049, &end # # 117 TYR HA 132 HIS HA 6.60 &rst ixpk= 0, nxpk= 0, iat=1844,2067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 117 TYR HA 133 THR HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1844,2082, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 117 TYR QB 132 HIS HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1846,1847, &end # # 117 TYR QB 132 HIS QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18, igr1=1846,1847, igr2=2069,2070, &end # # 117 TYR QD 118 SER HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1850,1859, &end # # 117 TYR QD 132 HIS HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=1850,1859, &end # # 118 SER HN 130 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=2043,2044,2045,2047,2048,2049, &end # # 118 SER HN 131 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1863,2053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HN 131 ASP- HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=1863,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HN 131 ASP- HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=1863,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HN 131 ASP- QB 6.44 &rst ixpk= 0, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr2=2057,2058, &end # # 118 SER HN 132 HIS HA 6.60 &rst ixpk= 0, nxpk= 0, iat=1863,2067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HB2 131 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1867,2053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HB2 131 ASP- HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=1867,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HB2 131 ASP- HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=1867,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HB3 131 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1868,2053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HB3 131 ASP- HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=1868,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER HB3 131 ASP- HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=1868,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 118 SER QB 131 ASP- QB 6.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15, igr1=1867,1868, igr2=2057,2058, &end # # 119 PRO HB2 130 VAL QG1 9.35 &rst ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=2043,2044,2045, &end # # 119 PRO HB2 130 VAL QG2 9.35 &rst ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=2047,2048,2049, &end # # 119 PRO HB3 130 VAL QG1 9.35 &rst ixpk= 0, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=2043,2044,2045, &end # # 119 PRO HB3 130 VAL QG2 9.35 &rst ixpk= 0, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73, igr2=2047,2048,2049, &end # # 119 PRO QB 128 TYR QD 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=1881,1882, igr2=2005,2014, &end # # 119 PRO QB 128 TYR QE 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=1881,1882, igr2=2007,2012, &end # # 119 PRO QB 130 VAL QQG 7.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41, igr1=1881,1882, igr2=2043,2044,2045,2047,2048,2049, &end # # 119 PRO QG 130 VAL QQG 10.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87, igr1=1878,1879, igr2=2043,2044,2045,2047,2048,2049, &end # # 120 GLY HN 121 PRO HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=1888,1896, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 120 GLY HN 121 PRO HD3 6.60 &rst ixpk= 0, nxpk= 0, iat=1888,1897, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 120 GLY HN 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 120 GLY HN 128 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2007,2012, &end # # 120 GLY HN 130 VAL HA 6.60 &rst ixpk= 0, nxpk= 0, iat=1888,2039, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 120 GLY HN 130 VAL QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2043,2044,2045, &end # # 120 GLY HN 130 VAL QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2047,2048,2049, &end # # 120 GLY HN 131 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1888,2053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 121 PRO HA 122 LYS+ HG2 6.10 &rst ixpk= 0, nxpk= 0, iat=1905,1916, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 121 PRO HA 122 LYS+ HG3 6.10 &rst ixpk= 0, nxpk= 0, iat=1905,1917, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 121 PRO HA 122 LYS+ QG 5.25 &rst ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=1916,1917, &end # # 121 PRO QB 122 LYS+ HN 4.45 &rst ixpk= 0, nxpk= 0, iat= -1,1909, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=1902,1903, &end # # 122 LYS+ HN 122 LYS+ HG2 5.40 &rst ixpk= 0, nxpk= 0, iat=1909,1916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 122 LYS+ HN 122 LYS+ HG3 5.40 &rst ixpk= 0, nxpk= 0, iat=1909,1917, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 122 LYS+ HN 122 LYS+ QG 5.18 &rst ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=1916,1917, &end # # 122 LYS+ HN 122 LYS+ QD 7.10 &rst ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr2=1919,1920, &end # # 122 LYS+ HN 122 LYS+ HE2 5.30 &rst ixpk= 0, nxpk= 0, iat=1909,1922, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 122 LYS+ HN 122 LYS+ HE3 5.30 &rst ixpk= 0, nxpk= 0, iat=1909,1923, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 122 LYS+ HN 123 ASP- HN 5.40 &rst ixpk= 0, nxpk= 0, iat=1909,1931, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 122 LYS+ HN 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 122 LYS+ HA 122 LYS+ QD 6.10 &rst ixpk= 0, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=1919,1920, &end # # 122 LYS+ HA 122 LYS+ HE2 3.90 &rst ixpk= 0, nxpk= 0, iat=1911,1922, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 122 LYS+ HA 122 LYS+ HE3 3.90 &rst ixpk= 0, nxpk= 0, iat=1911,1923, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 122 LYS+ QB 122 LYS+ HE2 6.10 &rst ixpk= 0, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=1913,1914, &end # # 122 LYS+ QB 122 LYS+ HE3 6.10 &rst ixpk= 0, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1=1913,1914, &end # # 122 LYS+ QB 122 LYS+ QE 5.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, igr1=1913,1914, igr2=1922,1923, &end # # 122 LYS+ QB 123 ASP- HN 6.20 &rst ixpk= 0, nxpk= 0, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, igr1=1913,1914, &end # # 122 LYS+ QB 126 GLU- HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1913,1914, &end # # 122 LYS+ QB 126 GLU- HA 6.70 &rst ixpk= 0, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr1=1913,1914, &end # # 122 LYS+ QB 128 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1=1913,1914, igr2=2005,2014, &end # # 122 LYS+ QB 128 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1=1913,1914, igr2=2007,2012, &end # # 122 LYS+ HG2 123 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1916,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 122 LYS+ HG2 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 122 LYS+ HG2 128 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2007,2012, &end # # 122 LYS+ HG3 123 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1917,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 122 LYS+ HG3 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 122 LYS+ HG3 128 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2007,2012, &end # # 122 LYS+ QD 123 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1919,1920, &end # # 122 LYS+ QD 126 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=1919,1920, &end # # 122 LYS+ QD 126 GLU- HA 7.30 &rst ixpk= 0, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1=1919,1920, &end # # 122 LYS+ QD 128 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1=1919,1920, igr2=2007,2012, &end # # 122 LYS+ HE2 123 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1922,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 122 LYS+ HE2 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1922, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 122 LYS+ HE2 128 TYR QE 8.50 &rst ixpk= 0, nxpk= 0, iat=1922, -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04, igr2=2007,2012, &end # # 122 LYS+ HE3 123 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1923,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 122 LYS+ HE3 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 122 LYS+ HE3 128 TYR QE 8.50 &rst ixpk= 0, nxpk= 0, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04, igr2=2007,2012, &end # # 122 LYS+ QE 123 ASP- HN 6.20 &rst ixpk= 0, nxpk= 0, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, igr1=1922,1923, &end # # 122 LYS+ QE 128 TYR QD 8.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.66, r4=11.16, igr1=1922,1923, igr2=2005,2014, &end # # 123 ASP- HN 125 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=1931,1958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 123 ASP- HN 126 GLU- HN 5.70 &rst ixpk= 0, nxpk= 0, iat=1931,1970, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 123 ASP- HN 126 GLU- HA 6.50 &rst ixpk= 0, nxpk= 0, iat=1931,1972, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 123 ASP- HN 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 123 ASP- HB2 124 GLU- HN 5.00 &rst ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 123 ASP- HB3 124 GLU- HN 5.00 &rst ixpk= 0, nxpk= 0, iat=1936,1943, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 123 ASP- QB 125 ASP- HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1=1935,1936, &end # # 124 GLU- HN 124 GLU- QG 5.80 &rst ixpk= 0, nxpk= 0, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=1950,1951, &end # # 124 GLU- HN 125 ASP- HN 5.20 &rst ixpk= 0, nxpk= 0, iat=1943,1958, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 124 GLU- HN 126 GLU- HN 5.80 &rst ixpk= 0, nxpk= 0, iat=1943,1970, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 124 GLU- HA 126 GLU- HN 5.90 &rst ixpk= 0, nxpk= 0, iat=1945,1970, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 124 GLU- HB2 125 ASP- HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1947,1958, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 124 GLU- HB3 125 ASP- HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1948,1958, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 124 GLU- QG 125 ASP- HN 6.70 &rst ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr1=1950,1951, &end # # 125 ASP- HN 126 GLU- HN 4.00 &rst ixpk= 0, nxpk= 0, iat=1958,1970, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 125 ASP- HN 126 GLU- HA 4.80 &rst ixpk= 0, nxpk= 0, iat=1958,1972, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 125 ASP- HN 127 ASP- HN 5.30 &rst ixpk= 0, nxpk= 0, iat=1958,1985, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 125 ASP- HN 127 ASP- HB2 5.30 &rst ixpk= 0, nxpk= 0, iat=1958,1989, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 125 ASP- HN 127 ASP- HB3 5.30 &rst ixpk= 0, nxpk= 0, iat=1958,1990, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 125 ASP- HN 127 ASP- QB 4.93 &rst ixpk= 0, nxpk= 0, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2=1989,1990, &end # # 125 ASP- HA 126 GLU- HN 3.60 &rst ixpk= 0, nxpk= 0, iat=1960,1970, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 126 GLU- HN 126 GLU- QG 6.30 &rst ixpk= 0, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=1977,1978, &end # # 126 GLU- HN 127 ASP- HN 4.80 &rst ixpk= 0, nxpk= 0, iat=1970,1985, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 126 GLU- HN 127 ASP- HB2 4.80 &rst ixpk= 0, nxpk= 0, iat=1970,1989, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 126 GLU- HN 127 ASP- HB3 4.80 &rst ixpk= 0, nxpk= 0, iat=1970,1990, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 126 GLU- HN 127 ASP- QB 4.47 &rst ixpk= 0, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2=1989,1990, &end # # 126 GLU- HB2 127 ASP- HN 5.10 &rst ixpk= 0, nxpk= 0, iat=1974,1985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 126 GLU- HB3 127 ASP- HN 5.10 &rst ixpk= 0, nxpk= 0, iat=1975,1985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 127 ASP- HN 128 TYR HN 6.10 &rst ixpk= 0, nxpk= 0, iat=1985,1997, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 127 ASP- HN 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1985, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 127 ASP- HA 128 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2005,2014, &end # # 127 ASP- HB2 128 TYR HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1989,1997, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 127 ASP- HB3 128 TYR HN 4.90 &rst ixpk= 0, nxpk= 0, iat=1990,1997, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 128 TYR HN 128 TYR QE 7.60 &rst ixpk= 0, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2007,2012, &end # # 128 TYR HN 129 ILE HN 6.30 &rst ixpk= 0, nxpk= 0, iat=1997,2018, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 128 TYR QB 130 VAL QQG 10.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69, igr1=2001,2002, igr2=2043,2044,2045,2047,2048,2049, &end # # 128 TYR QD 129 ILE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2005,2014, &end # # 128 TYR QD 130 VAL QG1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2005,2014, igr2=2043,2044,2045, &end # # 128 TYR QD 130 VAL QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2005,2014, igr2=2047,2048,2049, &end # # 128 TYR QE 130 VAL QG1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2007,2012, igr2=2043,2044,2045, &end # # 128 TYR QE 130 VAL QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2007,2012, igr2=2047,2048,2049, &end # # 129 ILE HN 129 ILE HG12 5.70 &rst ixpk= 0, nxpk= 0, iat=2018,2028, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 129 ILE HN 129 ILE HG13 5.70 &rst ixpk= 0, nxpk= 0, iat=2018,2029, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 129 ILE HN 129 ILE QG1 5.48 &rst ixpk= 0, nxpk= 0, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=2028,2029, &end # # 129 ILE HN 129 ILE QD1 7.40 &rst ixpk= 0, nxpk= 0, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, igr2=2031,2032,2033, &end # # 129 ILE HA 130 VAL QQG 9.16 &rst ixpk= 0, nxpk= 0, iat=2020, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr2=2043,2044,2045,2047,2048,2049, &end # # 129 ILE HB 130 VAL HN 5.40 &rst ixpk= 0, nxpk= 0, iat=2022,2037, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 130 VAL HB 132 HIS HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2041,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 130 VAL QG1 131 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2043,2044,2045, &end # # 130 VAL QG1 131 ASP- HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2043,2044,2045, &end # # 130 VAL QG1 132 HIS HD2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2043,2044,2045, &end # # 130 VAL QG2 131 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2047,2048,2049, &end # # 130 VAL QG2 131 ASP- HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2047,2048,2049, &end # # 130 VAL QG2 132 HIS HD2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2047,2048,2049, &end # # 130 VAL QQG 132 HIS HN 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=2043,2044,2045,2047,2048,2049, &end # # 130 VAL QQG 132 HIS HA 9.16 &rst ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85, igr1=2043,2044,2045,2047,2048,2049, &end # # 131 ASP- HN 132 HIS HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2053,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 131 ASP- HB2 132 HIS HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2057,2065, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 131 ASP- HB3 132 HIS HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2058,2065, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 132 HIS HN 132 HIS HD2 5.30 &rst ixpk= 0, nxpk= 0, iat=2065,2078, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 132 HIS HN 132 HIS HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2065,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 132 HIS HN 133 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2065,2082, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 132 HIS HN 133 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2088,2089,2090, &end # # 132 HIS HA 132 HIS HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2067,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 132 HIS HA 133 THR HA 6.60 &rst ixpk= 0, nxpk= 0, iat=2067,2084, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 132 HIS HA 133 THR QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2088,2089,2090, &end # # 132 HIS HB2 133 THR HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2069,2082, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 132 HIS HB3 133 THR HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2070,2082, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 132 HIS QB 133 THR HN 5.34 &rst ixpk= 0, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=2069,2070, &end # # 133 THR HB 134 ILE HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2086,2096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 133 THR QG2 134 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2096, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2088,2089,2090, &end # # 134 ILE HN 134 ILE HG12 6.60 &rst ixpk= 0, nxpk= 0, iat=2096,2106, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 134 ILE HN 134 ILE HG13 6.60 &rst ixpk= 0, nxpk= 0, iat=2096,2107, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 134 ILE HN 134 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=2096, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2106,2107, &end # # 134 ILE HN 134 ILE QD1 6.90 &rst ixpk= 0, nxpk= 0, iat=2096, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr2=2109,2110,2111, &end # # 134 ILE QD1 151 GLN HE21 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2109,2110,2111, &end # # 134 ILE QD1 151 GLN HE22 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2109,2110,2111, &end # # 135 ILE HN 135 ILE HG12 6.00 &rst ixpk= 0, nxpk= 0, iat=2115,2125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 135 ILE HN 135 ILE HG13 6.00 &rst ixpk= 0, nxpk= 0, iat=2115,2126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 135 ILE HN 135 ILE QG1 5.36 &rst ixpk= 0, nxpk= 0, iat=2115, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=2125,2126, &end # # 135 ILE HN 135 ILE QD1 6.00 &rst ixpk= 0, nxpk= 0, iat=2115, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2=2128,2129,2130, &end # # 135 ILE QG2 136 MET HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QG2 137 TYR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QG2 137 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2121,2122,2123, igr2=2159,2168, &end # # 135 ILE QG2 137 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2121,2122,2123, igr2=2161,2166, &end # # 135 ILE QG2 148 TYR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QG2 148 TYR HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2318, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QG2 148 TYR HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QG2 148 TYR HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2321, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QG2 148 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2121,2122,2123, igr2=2324,2333, &end # # 135 ILE QG2 148 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2121,2122,2123, igr2=2326,2331, &end # # 135 ILE QG2 149 PHE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QG2 149 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2121,2122,2123, igr2=2345,2353, &end # # 135 ILE QG2 151 GLN HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2121,2122,2123, &end # # 135 ILE QD1 137 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2128,2129,2130, igr2=2161,2166, &end # # 135 ILE QD1 148 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2128,2129,2130, igr2=2326,2331, &end # # 135 ILE QD1 149 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2128,2129,2130, igr2=2345,2353, &end # # 136 MET HN 136 MET HG2 6.40 &rst ixpk= 0, nxpk= 0, iat=2134,2141, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 136 MET HN 136 MET HG3 6.40 &rst ixpk= 0, nxpk= 0, iat=2134,2142, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 136 MET HN 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 136 MET HN 149 PHE HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2134,2337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 136 MET HN 149 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2345,2353, &end # # 136 MET HN 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 136 MET HA 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 136 MET HA 137 TYR QB 5.68 &rst ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=2155,2156, &end # # 136 MET HA 137 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2159,2168, &end # # 136 MET HA 137 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2161,2166, &end # # 136 MET HB2 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 136 MET HB2 137 TYR HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2138,2151, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 136 MET HB3 136 MET QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2145,2146,2147, &end # # 136 MET HB3 137 TYR HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2139,2151, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 136 MET HG2 137 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2141,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 136 MET HG2 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2141, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 136 MET HG3 137 TYR HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2142,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 136 MET HG3 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 136 MET QG 137 TYR HN 6.44 &rst ixpk= 0, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr1=2141,2142, &end # # 136 MET QE 149 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2145,2146,2147, igr2=2345,2353, &end # # 136 MET QE 149 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2145,2146,2147, igr2=2347,2351, &end # # 136 MET QE 149 PHE HZ 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2145,2146,2147, &end # # 137 TYR HN 137 TYR QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2161,2166, &end # # 137 TYR HN 138 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2151,2172, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 137 TYR HN 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 137 TYR HA 147 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2153,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 137 TYR HA 148 TYR HA 5.00 &rst ixpk= 0, nxpk= 0, iat=2153,2318, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 137 TYR HA 148 TYR QB 7.48 &rst ixpk= 0, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2320,2321, &end # # 137 TYR HA 148 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2324,2333, &end # # 137 TYR HA 149 PHE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2153,2337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 137 TYR HA 149 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2345,2353, &end # # 137 TYR HB2 138 LEU HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2155,2172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 137 TYR HB2 139 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2204,2205,2206, &end # # 137 TYR HB3 138 LEU HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2156,2172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 137 TYR HB3 139 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2204,2205,2206, &end # # 137 TYR QB 138 LEU HA 7.28 &rst ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1=2155,2156, &end # # 137 TYR QB 145 PHE QE 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=2155,2156, igr2=2275,2279, &end # # 137 TYR QD 138 LEU HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2159,2168, &end # # 137 TYR QD 139 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2159,2168, igr2=2204,2205,2206, &end # # 137 TYR QD 145 PHE QE 10.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86, igr1=2159,2168, igr2=2275,2279, &end # # 137 TYR QD 148 TYR HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2318, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2159,2168, &end # # 137 TYR QE 138 LEU HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2161,2166, &end # # 137 TYR QE 148 TYR HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2318, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2161,2166, &end # # 137 TYR QE 149 PHE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2161,2166, &end # # 138 LEU HN 138 LEU QD1 7.40 &rst ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, igr2=2181,2182,2183, &end # # 138 LEU HN 138 LEU QD2 7.40 &rst ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, igr2=2185,2186,2187, &end # # 138 LEU HN 138 LEU QQD 6.51 &rst ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28, igr2=2185,2186,2187,2181,2182,2183, &end # # 138 LEU HN 139 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2172,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HN 146 LEU QB 7.48 &rst ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2289,2290, &end # # 138 LEU HN 147 ASP- HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2172,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 138 LEU HN 148 TYR HA 6.60 &rst ixpk= 0, nxpk= 0, iat=2172,2318, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HN 148 TYR HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=2172,2320, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HN 148 TYR HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=2172,2321, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HN 148 TYR QB 6.29 &rst ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr2=2320,2321, &end # # 138 LEU HA 138 LEU QD1 6.40 &rst ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2=2181,2182,2183, &end # # 138 LEU HA 138 LEU QD2 6.40 &rst ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2=2185,2186,2187, &end # # 138 LEU HA 139 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2204,2205,2206, &end # # 138 LEU HB2 146 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2176,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HB2 147 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2176,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HB2 147 ASP- HB2 8.35 &rst ixpk= 0, nxpk= 0, iat=2176,2308, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 138 LEU HB2 147 ASP- HB3 8.35 &rst ixpk= 0, nxpk= 0, iat=2176,2309, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 138 LEU HB2 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 138 LEU HB3 146 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2177,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HB3 147 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2177,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 138 LEU HB3 147 ASP- HB2 8.35 &rst ixpk= 0, nxpk= 0, iat=2177,2308, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 138 LEU HB3 147 ASP- HB3 8.35 &rst ixpk= 0, nxpk= 0, iat=2177,2309, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end # # 138 LEU HB3 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 138 LEU QB 147 ASP- HN 6.34 &rst ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr1=2176,2177, &end # # 138 LEU QB 147 ASP- QB 7.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85, igr1=2176,2177, igr2=2308,2309, &end # # 138 LEU QB 162 ILE QD1 8.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39, igr1=2176,2177, igr2=2548,2549,2550, &end # # 138 LEU QD1 139 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2181,2182,2183, &end # # 138 LEU QD1 147 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2181,2182,2183, &end # # 138 LEU QD1 147 ASP- HB2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2308, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=2181,2182,2183, &end # # 138 LEU QD1 147 ASP- HB3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2309, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=2181,2182,2183, &end # # 138 LEU QD1 162 ILE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2181,2182,2183, &end # # 138 LEU QD2 139 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2185,2186,2187, &end # # 138 LEU QD2 147 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2185,2186,2187, &end # # 138 LEU QD2 147 ASP- HB2 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2308, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=2185,2186,2187, &end # # 138 LEU QD2 147 ASP- HB3 10.74 &rst ixpk= 0, nxpk= 0, iat= -1,2309, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40, igr1=2185,2186,2187, &end # # 138 LEU QD2 162 ILE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2185,2186,2187, &end # # 138 LEU QQD 146 LEU HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=2185,2186,2187,2181,2182,2183, &end # # 138 LEU QQD 146 LEU QQD 11.04 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=20.06, r4=20.56, igr1=2185,2186,2187,2181,2182,2183, igr2=2298,2299,2300,2294,2295,2296, &end # # 138 LEU QQD 147 ASP- HA 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=2185,2186,2187,2181,2182,2183, &end # # 138 LEU QQD 147 ASP- QB 9.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31, igr1=2185,2186,2187,2181,2182,2183, igr2=2308,2309, &end # # 138 LEU QQD 149 PHE QE 11.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40, igr1=2185,2186,2187,2181,2182,2183, igr2=2347,2351, &end # # 138 LEU QQD 162 ILE QG2 9.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.33, r4=15.83, igr1=2185,2186,2187,2181,2182,2183, igr2=2541,2542,2543, &end # # 138 LEU QQD 165 HIST HD2 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2591, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=2185,2186,2187,2181,2182,2183, &end # # 139 ILE HN 139 ILE HG12 6.10 &rst ixpk= 0, nxpk= 0, iat=2191,2201, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 139 ILE HN 139 ILE HG13 6.10 &rst ixpk= 0, nxpk= 0, iat=2191,2202, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 139 ILE HN 139 ILE QD1 6.80 &rst ixpk= 0, nxpk= 0, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=2204,2205,2206, &end # # 139 ILE HN 140 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2191,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 139 ILE HN 146 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2191,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 139 ILE HN 147 ASP- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2191,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 139 ILE HA 146 LEU HN 5.60 &rst ixpk= 0, nxpk= 0, iat=2193,2285, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 139 ILE HA 147 ASP- HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2193,2304, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 139 ILE HB 140 GLY HN 5.80 &rst ixpk= 0, nxpk= 0, iat=2195,2210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 139 ILE HB 143 GLY HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2195,2243, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 139 ILE HB 146 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2195,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 139 ILE QG2 139 ILE QD1 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=2197,2198,2199, igr2=2204,2205,2206, &end # # 139 ILE QG2 140 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2197,2198,2199, &end # # 139 ILE QG2 143 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2197,2198,2199, &end # # 139 ILE QG2 143 GLY HA2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2197,2198,2199, &end # # 139 ILE QG2 143 GLY HA3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2197,2198,2199, &end # # 139 ILE HG12 140 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2201,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 139 ILE HG12 145 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2201, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2273,2281, &end # # 139 ILE HG12 145 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2201, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2275,2279, &end # # 139 ILE HG13 140 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2202,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 139 ILE HG13 145 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2273,2281, &end # # 139 ILE HG13 145 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2275,2279, &end # # 139 ILE QG1 143 GLY HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=2201,2202, &end # # 139 ILE QG1 143 GLY QA 6.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13, igr1=2201,2202, igr2=2245,2246, &end # # 139 ILE QD1 140 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2204,2205,2206, &end # # 139 ILE QD1 145 PHE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2204,2205,2206, &end # # 139 ILE QD1 145 PHE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2204,2205,2206, &end # # 139 ILE QD1 145 PHE QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1=2204,2205,2206, igr2=2269,2270, &end # # 139 ILE QD1 145 PHE QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2204,2205,2206, igr2=2273,2281, &end # # 139 ILE QD1 145 PHE QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2204,2205,2206, igr2=2275,2279, &end # # 139 ILE QD1 146 LEU HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2204,2205,2206, &end # # 139 ILE QD1 147 ASP- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2204,2205,2206, &end # # 140 GLY HN 143 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2210,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 140 GLY HN 144 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2210,2250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 140 GLY HN 145 PHE HA 6.60 &rst ixpk= 0, nxpk= 0, iat=2210,2267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 140 GLY HN 146 LEU QQD 9.17 &rst ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr2=2298,2299,2300,2294,2295,2296, &end # # 140 GLY QA 146 LEU QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18, igr1=2212,2213, igr2=2289,2290, &end # # 140 GLY QA 146 LEU QD1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=2212,2213, igr2=2294,2295,2296, &end # # 140 GLY QA 146 LEU QD2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=2212,2213, igr2=2298,2299,2300, &end # # 141 PRO HA 143 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2227,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 141 PRO HB2 143 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2224,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 141 PRO HB3 143 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2225,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 141 PRO QD 142 ASP- HN 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=2218,2219, &end # # 142 ASP- HN 143 GLY HN 4.90 &rst ixpk= 0, nxpk= 0, iat=2231,2243, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 142 ASP- HN 143 GLY HA2 5.20 &rst ixpk= 0, nxpk= 0, iat=2231,2245, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 142 ASP- HN 143 GLY HA3 5.20 &rst ixpk= 0, nxpk= 0, iat=2231,2246, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 142 ASP- HN 143 GLY QA 4.43 &rst ixpk= 0, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=2245,2246, &end # # 142 ASP- HN 144 GLU- HN 6.10 &rst ixpk= 0, nxpk= 0, iat=2231,2250, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 142 ASP- HB2 143 GLY HN 5.20 &rst ixpk= 0, nxpk= 0, iat=2235,2243, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 142 ASP- HB3 143 GLY HN 5.20 &rst ixpk= 0, nxpk= 0, iat=2236,2243, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 143 GLY HN 144 GLU- HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2243,2250, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 144 GLU- HN 144 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2257,2258, &end # # 144 GLU- QG 145 PHE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2265, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2257,2258, &end # # 145 PHE HN 145 PHE QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2275,2279, &end # # 145 PHE HN 146 LEU HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2265,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 145 PHE HB2 146 LEU HN 6.10 &rst ixpk= 0, nxpk= 0, iat=2269,2285, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 145 PHE HB3 146 LEU HN 6.10 &rst ixpk= 0, nxpk= 0, iat=2270,2285, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 145 PHE QB 146 LEU HA 5.88 &rst ixpk= 0, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1=2269,2270, &end # # 145 PHE QE 147 ASP- HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2275,2279, &end # # 146 LEU HN 146 LEU HG 6.00 &rst ixpk= 0, nxpk= 0, iat=2285,2292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 146 LEU HN 146 LEU QD1 6.80 &rst ixpk= 0, nxpk= 0, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=2294,2295,2296, &end # # 146 LEU HN 146 LEU QD2 6.80 &rst ixpk= 0, nxpk= 0, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=2298,2299,2300, &end # # 146 LEU HN 146 LEU QQD 6.41 &rst ixpk= 0, nxpk= 0, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr2=2298,2299,2300,2294,2295,2296, &end # # 146 LEU HN 147 ASP- HN 5.20 &rst ixpk= 0, nxpk= 0, iat=2285,2304, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 146 LEU HA 146 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2294,2295,2296, &end # # 146 LEU HA 146 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2298,2299,2300, &end # # 146 LEU HA 147 ASP- QB 5.18 &rst ixpk= 0, nxpk= 0, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2=2308,2309, &end # # 146 LEU HA 165 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2287,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 146 LEU HB2 147 ASP- HN 5.90 &rst ixpk= 0, nxpk= 0, iat=2289,2304, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 146 LEU HB3 147 ASP- HN 5.90 &rst ixpk= 0, nxpk= 0, iat=2290,2304, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 146 LEU QB 147 ASP- HN 5.64 &rst ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1=2289,2290, &end # # 146 LEU QB 165 HIST HE1 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,2587, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=2289,2290, &end # # 146 LEU QD1 165 HIST HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2294,2295,2296, &end # # 146 LEU QD1 165 HIST HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2294,2295,2296, &end # # 146 LEU QD1 165 HIST HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2294,2295,2296, &end # # 146 LEU QD2 165 HIST HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2298,2299,2300, &end # # 146 LEU QD2 165 HIST HB2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2298,2299,2300, &end # # 146 LEU QD2 165 HIST HB3 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2298,2299,2300, &end # # 146 LEU QQD 147 ASP- HN 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=2298,2299,2300,2294,2295,2296, &end # # 146 LEU QQD 165 HIST HD2 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2591, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=2298,2299,2300,2294,2295,2296, &end # # 146 LEU QQD 165 HIST HE1 9.17 &rst ixpk= 0, nxpk= 0, iat= -1,2587, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86, igr1=2298,2299,2300,2294,2295,2296, &end # # 147 ASP- HN 148 TYR HN 4.80 &rst ixpk= 0, nxpk= 0, iat=2304,2316, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 147 ASP- HN 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 147 ASP- HN 165 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2304,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- HA 165 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2306,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- HB2 148 TYR HN 5.80 &rst ixpk= 0, nxpk= 0, iat=2308,2316, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 147 ASP- HB2 162 ILE HA 6.60 &rst ixpk= 0, nxpk= 0, iat=2308,2537, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- HB2 165 HIST HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2308,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- HB2 165 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2308,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- HB3 148 TYR HN 5.80 &rst ixpk= 0, nxpk= 0, iat=2309,2316, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 147 ASP- HB3 162 ILE HA 6.60 &rst ixpk= 0, nxpk= 0, iat=2309,2537, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- HB3 165 HIST HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2309,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- HB3 165 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2309,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 147 ASP- QB 149 PHE QE 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=2308,2309, igr2=2347,2351, &end # # 147 ASP- QB 162 ILE QG2 7.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26, igr1=2308,2309, igr2=2541,2542,2543, &end # # 147 ASP- QB 162 ILE QG1 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18, igr1=2308,2309, igr2=2545,2546, &end # # 148 TYR HN 148 TYR QE 7.00 &rst ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=2326,2331, &end # # 148 TYR HN 149 PHE HN 6.20 &rst ixpk= 0, nxpk= 0, iat=2316,2337, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 148 TYR HN 149 PHE QD 8.40 &rst ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93, igr2=2345,2353, &end # # 148 TYR HN 149 PHE QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2347,2351, &end # # 148 TYR HN 149 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat=2316,2349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 148 TYR HA 149 PHE QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2345,2353, &end # # 148 TYR HA 149 PHE HZ 6.60 &rst ixpk= 0, nxpk= 0, iat=2318,2349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 148 TYR HB2 149 PHE HN 6.40 &rst ixpk= 0, nxpk= 0, iat=2320,2337, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 148 TYR HB3 149 PHE HN 6.40 &rst ixpk= 0, nxpk= 0, iat=2321,2337, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 148 TYR QD 149 PHE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2324,2333, &end # # 148 TYR QE 149 PHE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2326,2331, &end # # 149 PHE HN 149 PHE QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2347,2351, &end # # 149 PHE HN 150 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2337,2357, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 149 PHE HB2 150 GLY HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2341,2357, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 149 PHE HB3 150 GLY HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2342,2357, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 149 PHE QB 153 LYS+ QB 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2341,2342, igr2=2399,2400, &end # # 149 PHE QD 150 GLY HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2345,2353, &end # # 149 PHE QD 153 LYS+ QG 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=2345,2353, igr2=2402,2403, &end # # 149 PHE QD 158 ILE HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2345,2353, &end # # 149 PHE QD 158 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2345,2353, igr2=2491,2492,2493, &end # # 149 PHE QD 158 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2345,2353, igr2=2498,2499,2500, &end # # 149 PHE QD 161 SER HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2345,2353, &end # # 149 PHE QD 161 SER HB2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2528, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2345,2353, &end # # 149 PHE QD 161 SER HB3 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2529, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2345,2353, &end # # 149 PHE QD 162 ILE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2345,2353, &end # # 149 PHE QD 162 ILE QG1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1=2345,2353, igr2=2545,2546, &end # # 149 PHE QD 162 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2345,2353, igr2=2548,2549,2550, &end # # 149 PHE QE 150 GLY HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2347,2351, &end # # 149 PHE QE 153 LYS+ QG 9.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44, igr1=2347,2351, igr2=2402,2403, &end # # 149 PHE QE 158 ILE HA 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2347,2351, &end # # 149 PHE QE 158 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2347,2351, igr2=2491,2492,2493, &end # # 149 PHE QE 161 SER HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2347,2351, &end # # 149 PHE QE 161 SER HB2 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2528, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2347,2351, &end # # 149 PHE QE 161 SER HB3 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2529, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2347,2351, &end # # 149 PHE QE 162 ILE HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2347,2351, &end # # 149 PHE QE 162 ILE QG2 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2347,2351, igr2=2541,2542,2543, &end # # 149 PHE QE 162 ILE QD1 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44, igr1=2347,2351, igr2=2548,2549,2550, &end # # 149 PHE HZ 162 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2349,2535, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 150 GLY HN 151 GLN HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2357,2364, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 150 GLY HN 153 LYS+ HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=2357,2399, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 150 GLY HN 153 LYS+ HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=2357,2400, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 150 GLY HN 153 LYS+ QG 7.48 &rst ixpk= 0, nxpk= 0, iat=2357, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2402,2403, &end # # 150 GLY QA 153 LYS+ HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=2359,2360, &end # # 151 GLN HN 151 GLN HG2 6.60 &rst ixpk= 0, nxpk= 0, iat=2364,2371, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HN 151 GLN HG3 6.60 &rst ixpk= 0, nxpk= 0, iat=2364,2372, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HN 151 GLN QG 6.01 &rst ixpk= 0, nxpk= 0, iat=2364, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr2=2371,2372, &end # # 151 GLN HN 151 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat=2364,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HN 151 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat=2364,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HN 152 ASN HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2364,2381, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 151 GLN HA 151 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat=2366,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HA 151 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat=2366,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HB2 151 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat=2368,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HB2 151 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat=2368,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HB2 152 ASN HN 4.70 &rst ixpk= 0, nxpk= 0, iat=2368,2381, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 151 GLN HB3 151 GLN HE21 6.60 &rst ixpk= 0, nxpk= 0, iat=2369,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HB3 151 GLN HE22 6.60 &rst ixpk= 0, nxpk= 0, iat=2369,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HB3 152 ASN HN 4.70 &rst ixpk= 0, nxpk= 0, iat=2369,2381, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 151 GLN QB 152 ASN HN 4.37 &rst ixpk= 0, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1=2368,2369, &end # # 151 GLN HG2 152 ASN HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2371,2381, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN HG3 152 ASN HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2372,2381, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 151 GLN QG 152 ASN HN 6.15 &rst ixpk= 0, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=2371,2372, &end # # 152 ASN HN 152 ASN HD21 6.60 &rst ixpk= 0, nxpk= 0, iat=2381,2390, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 152 ASN HN 152 ASN HD22 6.60 &rst ixpk= 0, nxpk= 0, iat=2381,2391, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 152 ASN HN 153 LYS+ HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2381,2395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 152 ASN HA 152 ASN HD21 6.60 &rst ixpk= 0, nxpk= 0, iat=2383,2390, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 152 ASN HA 152 ASN HD22 6.60 &rst ixpk= 0, nxpk= 0, iat=2383,2391, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 152 ASN HB2 153 LYS+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2385,2395, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 152 ASN HB3 153 LYS+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2386,2395, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 152 ASN QD2 153 LYS+ HN 5.07 &rst ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=2390,2391, &end # # 153 LYS+ HN 153 LYS+ HG2 5.00 &rst ixpk= 0, nxpk= 0, iat=2395,2402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 153 LYS+ HN 153 LYS+ HG3 5.00 &rst ixpk= 0, nxpk= 0, iat=2395,2403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 153 LYS+ HN 153 LYS+ QG 4.82 &rst ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2=2402,2403, &end # # 153 LYS+ HN 153 LYS+ QE 7.40 &rst ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr2=2408,2409, &end # # 153 LYS+ HN 154 ARG+ HN 5.80 &rst ixpk= 0, nxpk= 0, iat=2395,2417, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 153 LYS+ HN 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 153 LYS+ HA 153 LYS+ QE 7.30 &rst ixpk= 0, nxpk= 0, iat=2397, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2=2408,2409, &end # # 153 LYS+ HA 157 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2397,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 153 LYS+ HB2 153 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2399, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2408,2409, &end # # 153 LYS+ HB2 154 ARG+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2399,2417, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 153 LYS+ HB2 158 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=2399, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2495,2496, &end # # 153 LYS+ HB2 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2399, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 153 LYS+ HB3 153 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2400, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2408,2409, &end # # 153 LYS+ HB3 154 ARG+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2400,2417, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 153 LYS+ HB3 158 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=2400, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2495,2496, &end # # 153 LYS+ HB3 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2400, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 153 LYS+ QB 153 LYS+ QE 6.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1=2399,2400, igr2=2408,2409, &end # # 153 LYS+ QB 154 ARG+ HN 5.53 &rst ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=2399,2400, &end # # 153 LYS+ QG 154 ARG+ HN 6.98 &rst ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1=2402,2403, &end # # 154 ARG+ HN 154 ARG+ HG2 5.30 &rst ixpk= 0, nxpk= 0, iat=2417,2424, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 154 ARG+ HN 154 ARG+ HG3 5.30 &rst ixpk= 0, nxpk= 0, iat=2417,2425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 154 ARG+ HN 154 ARG+ QG 5.03 &rst ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=2424,2425, &end # # 154 ARG+ HN 154 ARG+ QD 6.80 &rst ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr2=2427,2428, &end # # 154 ARG+ HN 157 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2417,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 154 ARG+ HN 157 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2477,2478, &end # # 154 ARG+ HA 154 ARG+ QD 5.80 &rst ixpk= 0, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=2427,2428, &end # # 154 ARG+ HA 156 GLY HN 6.20 &rst ixpk= 0, nxpk= 0, iat=2419,2463, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 154 ARG+ HA 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 154 ARG+ HB2 155 LYS+ HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2421,2441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 154 ARG+ HB2 156 GLY HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2421,2463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 154 ARG+ HB3 155 LYS+ HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2422,2441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 154 ARG+ HB3 156 GLY HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2422,2463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 154 ARG+ HG2 155 LYS+ HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2424,2441, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 154 ARG+ HG3 155 LYS+ HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2425,2441, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 154 ARG+ QG 155 LYS+ HN 5.90 &rst ixpk= 0, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=2424,2425, &end # # 154 ARG+ QD 155 LYS+ HN 7.30 &rst ixpk= 0, nxpk= 0, iat= -1,2441, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1=2427,2428, &end # # 154 ARG+ QD 156 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2427,2428, &end # # 154 ARG+ QD 156 GLY QA 7.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05, igr1=2427,2428, igr2=2465,2466, &end # # 154 ARG+ QD 157 GLU- HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2470, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2427,2428, &end # # 155 LYS+ HN 155 LYS+ QG 7.00 &rst ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=2448,2449, &end # # 155 LYS+ HN 155 LYS+ HD2 5.90 &rst ixpk= 0, nxpk= 0, iat=2441,2451, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 155 LYS+ HN 155 LYS+ HD3 5.90 &rst ixpk= 0, nxpk= 0, iat=2441,2452, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 155 LYS+ HN 155 LYS+ QD 5.49 &rst ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=2451,2452, &end # # 155 LYS+ HN 155 LYS+ QE 7.30 &rst ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr2=2454,2455, &end # # 155 LYS+ HN 156 GLY HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2441,2463, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HN 156 GLY HA2 6.60 &rst ixpk= 0, nxpk= 0, iat=2441,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HN 156 GLY HA3 6.60 &rst ixpk= 0, nxpk= 0, iat=2441,2466, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HN 156 GLY QA 6.29 &rst ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, igr2=2465,2466, &end # # 155 LYS+ HN 157 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2441,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HN 157 GLU- QG 7.60 &rst ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2477,2478, &end # # 155 LYS+ HN 158 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2441,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HN 158 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2491,2492,2493, &end # # 155 LYS+ HN 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2441, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 155 LYS+ HA 155 LYS+ HD2 6.00 &rst ixpk= 0, nxpk= 0, iat=2443,2451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 155 LYS+ HA 155 LYS+ HD3 6.00 &rst ixpk= 0, nxpk= 0, iat=2443,2452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 155 LYS+ HA 155 LYS+ QD 5.55 &rst ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2=2451,2452, &end # # 155 LYS+ HA 155 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2454,2455, &end # # 155 LYS+ HA 157 GLU- HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2443,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HA 158 ILE HN 6.40 &rst ixpk= 0, nxpk= 0, iat=2443,2485, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 155 LYS+ HA 158 ILE HB 5.60 &rst ixpk= 0, nxpk= 0, iat=2443,2489, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 155 LYS+ HA 158 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2491,2492,2493, &end # # 155 LYS+ HA 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 155 LYS+ HA 159 ALA HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2443,2504, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 155 LYS+ HB2 155 LYS+ QE 6.00 &rst ixpk= 0, nxpk= 0, iat=2445, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2454,2455, &end # # 155 LYS+ HB2 156 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2445,2463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 155 LYS+ HB2 157 GLU- HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2445,2470, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 155 LYS+ HB3 155 LYS+ QE 6.00 &rst ixpk= 0, nxpk= 0, iat=2446, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=2454,2455, &end # # 155 LYS+ HB3 156 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2446,2463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 155 LYS+ HB3 157 GLU- HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2446,2470, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 155 LYS+ QB 156 GLY HN 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=2445,2446, &end # # 155 LYS+ QB 157 GLU- HN 5.69 &rst ixpk= 0, nxpk= 0, iat= -1,2470, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=2445,2446, &end # # 155 LYS+ QG 156 GLY HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2448,2449, &end # # 155 LYS+ HD2 156 GLY HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2451,2463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 155 LYS+ HD2 156 GLY HA2 6.60 &rst ixpk= 0, nxpk= 0, iat=2451,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HD2 156 GLY HA3 6.60 &rst ixpk= 0, nxpk= 0, iat=2451,2466, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HD2 157 GLU- HN 6.10 &rst ixpk= 0, nxpk= 0, iat=2451,2470, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 155 LYS+ HD3 156 GLY HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2452,2463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 155 LYS+ HD3 156 GLY HA2 6.60 &rst ixpk= 0, nxpk= 0, iat=2452,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HD3 156 GLY HA3 6.60 &rst ixpk= 0, nxpk= 0, iat=2452,2466, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 155 LYS+ HD3 157 GLU- HN 6.10 &rst ixpk= 0, nxpk= 0, iat=2452,2470, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 155 LYS+ QD 156 GLY HN 5.79 &rst ixpk= 0, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=2451,2452, &end # # 155 LYS+ QD 156 GLY QA 6.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48, igr1=2451,2452, igr2=2465,2466, &end # # 155 LYS+ QD 158 ILE HN 6.98 &rst ixpk= 0, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, igr1=2451,2452, &end # # 155 LYS+ QD 159 ALA HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=2451,2452, &end # # 155 LYS+ QE 156 GLY HN 7.50 &rst ixpk= 0, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, igr1=2454,2455, &end # # 156 GLY HN 157 GLU- HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2463,2470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 156 GLY HN 157 GLU- HA 5.60 &rst ixpk= 0, nxpk= 0, iat=2463,2472, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 156 GLY HN 157 GLU- QG 7.10 &rst ixpk= 0, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr2=2477,2478, &end # # 156 GLY HN 158 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2463,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 156 GLY HN 158 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2495,2496, &end # # 156 GLY HN 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 156 GLY HN 159 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2463,2504, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 156 GLY HN 160 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2463,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 156 GLY HA2 159 ALA QB 4.90 &rst ixpk= 0, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=2508,2509,2510, &end # # 156 GLY HA2 160 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2465,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 156 GLY HA3 159 ALA QB 4.90 &rst ixpk= 0, nxpk= 0, iat=2466, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=2508,2509,2510, &end # # 156 GLY HA3 160 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2466,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 156 GLY QA 159 ALA HN 7.48 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr1=2465,2466, &end # # 156 GLY QA 159 ALA QB 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=2465,2466, igr2=2508,2509,2510, &end # # 157 GLU- HN 157 GLU- QG 5.70 &rst ixpk= 0, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=2477,2478, &end # # 157 GLU- HN 158 ILE HN 5.10 &rst ixpk= 0, nxpk= 0, iat=2470,2485, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 157 GLU- HN 158 ILE HA 5.70 &rst ixpk= 0, nxpk= 0, iat=2470,2487, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 157 GLU- HN 158 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2491,2492,2493, &end # # 157 GLU- HN 158 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2495,2496, &end # # 157 GLU- HN 158 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2498,2499,2500, &end # # 157 GLU- HN 159 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2470,2504, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 157 GLU- HN 160 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2470,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 157 GLU- HA 160 ALA HN 5.10 &rst ixpk= 0, nxpk= 0, iat=2472,2514, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 157 GLU- HA 160 ALA QB 3.80 &rst ixpk= 0, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=2518,2519,2520, &end # # 157 GLU- QB 160 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2474,2475, &end # # 157 GLU- QB 161 SER HN 6.70 &rst ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr1=2474,2475, &end # # 157 GLU- QG 158 ILE HN 7.30 &rst ixpk= 0, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69, igr1=2477,2478, &end # # 157 GLU- QG 159 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2477,2478, &end # # 157 GLU- QG 160 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2477,2478, &end # # 157 GLU- QG 160 ALA QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=2477,2478, igr2=2518,2519,2520, &end # # 158 ILE HN 158 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=2485, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2495,2496, &end # # 158 ILE HN 158 ILE QD1 6.40 &rst ixpk= 0, nxpk= 0, iat=2485, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2=2498,2499,2500, &end # # 158 ILE HN 159 ALA HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2485,2504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 158 ILE HA 160 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2487,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 158 ILE HA 161 SER HN 6.10 &rst ixpk= 0, nxpk= 0, iat=2487,2524, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 158 ILE HA 161 SER HB2 5.80 &rst ixpk= 0, nxpk= 0, iat=2487,2528, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 158 ILE HA 161 SER HB3 5.80 &rst ixpk= 0, nxpk= 0, iat=2487,2529, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 158 ILE HB 159 ALA HN 4.50 &rst ixpk= 0, nxpk= 0, iat=2489,2504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 158 ILE QG2 159 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG2 159 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG2 159 ALA QB 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90, igr1=2491,2492,2493, igr2=2508,2509,2510, &end # # 158 ILE QG2 160 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG2 161 SER HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG2 161 SER QB 8.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93, igr1=2491,2492,2493, igr2=2528,2529, &end # # 158 ILE QG2 162 ILE HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG2 162 ILE HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG2 162 ILE HB 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG2 162 ILE QG1 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=2491,2492,2493, igr2=2545,2546, &end # # 158 ILE QG2 162 ILE QD1 8.10 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18, igr1=2491,2492,2493, igr2=2548,2549,2550, &end # # 158 ILE QG2 163 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2491,2492,2493, &end # # 158 ILE QG1 159 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2495,2496, &end # # 158 ILE QD1 159 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2498,2499,2500, &end # # 159 ALA HN 160 ALA HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2504,2514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 159 ALA HN 160 ALA QB 5.10 &rst ixpk= 0, nxpk= 0, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2=2518,2519,2520, &end # # 159 ALA HN 161 SER HN 6.20 &rst ixpk= 0, nxpk= 0, iat=2504,2524, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 159 ALA HA 161 SER HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2506,2524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 159 ALA HA 162 ILE HN 6.10 &rst ixpk= 0, nxpk= 0, iat=2506,2535, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 159 ALA HA 162 ILE HB 3.40 &rst ixpk= 0, nxpk= 0, iat=2506,2539, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 159 ALA HA 162 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2506, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2548,2549,2550, &end # # 159 ALA QB 161 SER HN 5.60 &rst ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2508,2509,2510, &end # # 159 ALA QB 162 ILE HN 6.00 &rst ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=2508,2509,2510, &end # # 160 ALA HN 161 SER HN 3.90 &rst ixpk= 0, nxpk= 0, iat=2514,2524, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 160 ALA HN 162 ILE HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2514,2535, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 160 ALA HA 163 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2516,2554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 160 ALA HA 163 ALA QB 4.20 &rst ixpk= 0, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=2558,2559,2560, &end # # 160 ALA QB 161 SER HN 3.90 &rst ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1=2518,2519,2520, &end # # 160 ALA QB 162 ILE HN 5.60 &rst ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=2518,2519,2520, &end # # 161 SER HN 161 SER HB2 4.10 &rst ixpk= 0, nxpk= 0, iat=2524,2528, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 161 SER HN 161 SER HB3 4.10 &rst ixpk= 0, nxpk= 0, iat=2524,2529, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 161 SER HN 161 SER QB 3.57 &rst ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=2528,2529, &end # # 161 SER HN 162 ILE HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2524,2535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 161 SER HN 162 ILE HB 5.90 &rst ixpk= 0, nxpk= 0, iat=2524,2539, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 161 SER HN 162 ILE QG2 7.60 &rst ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2541,2542,2543, &end # # 161 SER HN 162 ILE QG1 7.60 &rst ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2545,2546, &end # # 161 SER HN 162 ILE QD1 7.60 &rst ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr2=2548,2549,2550, &end # # 161 SER HN 163 ALA HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2524,2554, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 161 SER HA 161 SER HB2 2.60 &rst ixpk= 0, nxpk= 0, iat=2526,2528, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 161 SER HA 161 SER HB3 2.60 &rst ixpk= 0, nxpk= 0, iat=2526,2529, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 161 SER HA 161 SER QB 2.34 &rst ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, igr2=2528,2529, &end # # 161 SER HA 163 ALA HN 5.20 &rst ixpk= 0, nxpk= 0, iat=2526,2554, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 161 SER HA 164 THR HN 5.50 &rst ixpk= 0, nxpk= 0, iat=2526,2564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 161 SER HA 164 THR QG2 7.10 &rst ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2570,2571,2572, &end # # 161 SER HB2 162 ILE HN 5.40 &rst ixpk= 0, nxpk= 0, iat=2528,2535, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 161 SER HB3 162 ILE HN 5.40 &rst ixpk= 0, nxpk= 0, iat=2529,2535, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 162 ILE HN 162 ILE QG1 7.10 &rst ixpk= 0, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr2=2545,2546, &end # # 162 ILE HN 162 ILE QD1 6.10 &rst ixpk= 0, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2=2548,2549,2550, &end # # 162 ILE HN 163 ALA HN 5.40 &rst ixpk= 0, nxpk= 0, iat=2535,2554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 162 ILE HN 164 THR HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2535,2564, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 162 ILE HN 165 HIST HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2535,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 162 ILE HA 165 HIST HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2537,2578, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 162 ILE HA 165 HIST HB2 6.60 &rst ixpk= 0, nxpk= 0, iat=2537,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 162 ILE HA 165 HIST HB3 6.60 &rst ixpk= 0, nxpk= 0, iat=2537,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 162 ILE HA 165 HIST HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2537,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 162 ILE HA 165 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2537,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 162 ILE HA 166 MET HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2537,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 162 ILE HB 163 ALA HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2539,2554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 162 ILE HB 164 THR HN 6.50 &rst ixpk= 0, nxpk= 0, iat=2539,2564, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end # # 162 ILE QG2 163 ALA HN 7.20 &rst ixpk= 0, nxpk= 0, iat= -1,2554, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=2541,2542,2543, &end # # 162 ILE QG2 164 THR HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2564, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2541,2542,2543, &end # # 162 ILE QG2 165 HIST HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2578, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2541,2542,2543, &end # # 162 ILE QG1 163 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2554, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2545,2546, &end # # 162 ILE QG1 165 HIST HD2 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2591, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2545,2546, &end # # 162 ILE QD1 163 ALA HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2548,2549,2550, &end # # 162 ILE QD1 163 ALA HA 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2548,2549,2550, &end # # 163 ALA HN 164 THR HN 5.10 &rst ixpk= 0, nxpk= 0, iat=2554,2564, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 163 ALA HA 166 MET HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2556,2595, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 163 ALA HA 166 MET HB2 5.40 &rst ixpk= 0, nxpk= 0, iat=2556,2599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 163 ALA HA 166 MET HB3 5.40 &rst ixpk= 0, nxpk= 0, iat=2556,2600, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 163 ALA HA 166 MET QB 5.08 &rst ixpk= 0, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=2599,2600, &end # # 163 ALA HA 167 ARG+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat=2556,2612, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 163 ALA QB 165 HIST HN 5.30 &rst ixpk= 0, nxpk= 0, iat= -1,2578, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2558,2559,2560, &end # # 164 THR HN 165 HIST HN 4.90 &rst ixpk= 0, nxpk= 0, iat=2564,2578, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 164 THR HN 165 HIST HB2 6.40 &rst ixpk= 0, nxpk= 0, iat=2564,2582, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 164 THR HN 165 HIST HB3 6.40 &rst ixpk= 0, nxpk= 0, iat=2564,2583, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end # # 164 THR HN 165 HIST QB 6.24 &rst ixpk= 0, nxpk= 0, iat=2564, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr2=2582,2583, &end # # 164 THR HN 165 HIST HD2 6.60 &rst ixpk= 0, nxpk= 0, iat=2564,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 164 THR HA 166 MET HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2566,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 164 THR HA 167 ARG+ HN 5.30 &rst ixpk= 0, nxpk= 0, iat=2566,2612, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 164 THR HA 167 ARG+ QD 6.90 &rst ixpk= 0, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=2622,2623, &end # # 164 THR HB 165 HIST HN 4.70 &rst ixpk= 0, nxpk= 0, iat=2568,2578, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 164 THR QG2 165 HIST HN 6.90 &rst ixpk= 0, nxpk= 0, iat= -1,2578, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr1=2570,2571,2572, &end # # 164 THR QG2 167 ARG+ QD 8.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09, igr1=2570,2571,2572, igr2=2622,2623, &end # # 165 HIST HN 165 HIST HD2 5.90 &rst ixpk= 0, nxpk= 0, iat=2578,2591, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 165 HIST HN 165 HIST HE1 5.10 &rst ixpk= 0, nxpk= 0, iat=2578,2587, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 165 HIST HN 167 ARG+ HN 6.30 &rst ixpk= 0, nxpk= 0, iat=2578,2612, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 165 HIST HN 168 PRO QG 7.08 &rst ixpk= 0, nxpk= 0, iat=2578, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr2=2640,2641, &end # # 165 HIST HA 165 HIST HD2 6.30 &rst ixpk= 0, nxpk= 0, iat=2580,2591, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 165 HIST HA 165 HIST HE1 6.60 &rst ixpk= 0, nxpk= 0, iat=2580,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 165 HIST HA 168 PRO HB2 5.70 &rst ixpk= 0, nxpk= 0, iat=2580,2643, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 165 HIST HA 168 PRO HB3 5.70 &rst ixpk= 0, nxpk= 0, iat=2580,2644, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 165 HIST HA 168 PRO QG 7.48 &rst ixpk= 0, nxpk= 0, iat=2580, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, igr2=2640,2641, &end # # 165 HIST HB2 166 MET HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2582,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 165 HIST HB3 166 MET HN 6.00 &rst ixpk= 0, nxpk= 0, iat=2583,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 165 HIST QB 166 MET HN 5.79 &rst ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=2582,2583, &end # # 166 MET HN 166 MET HG2 6.60 &rst ixpk= 0, nxpk= 0, iat=2595,2602, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 166 MET HN 166 MET HG3 6.60 &rst ixpk= 0, nxpk= 0, iat=2595,2603, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 166 MET HN 166 MET QE 5.90 &rst ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=2606,2607,2608, &end # # 166 MET HN 167 ARG+ HN 5.70 &rst ixpk= 0, nxpk= 0, iat=2595,2612, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 166 MET HN 169 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2658,2667, &end # # 166 MET HA 166 MET QE 6.80 &rst ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2=2606,2607,2608, &end # # 166 MET HA 169 TYR HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2597,2650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 166 MET HB2 166 MET QE 7.00 &rst ixpk= 0, nxpk= 0, iat=2599, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=2606,2607,2608, &end # # 166 MET HB2 167 ARG+ HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2599,2612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 166 MET HB3 166 MET QE 7.00 &rst ixpk= 0, nxpk= 0, iat=2600, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=2606,2607,2608, &end # # 166 MET HB3 167 ARG+ HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2600,2612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 166 MET QE 167 ARG+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2612, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1=2606,2607,2608, &end # # 167 ARG+ HN 167 ARG+ QD 6.40 &rst ixpk= 0, nxpk= 0, iat=2612, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2=2622,2623, &end # # 168 PRO HB2 169 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2643, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2658,2667, &end # # 168 PRO HB2 169 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2643, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2660,2665, &end # # 168 PRO HB3 169 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2644, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2658,2667, &end # # 168 PRO HB3 169 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2644, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2660,2665, &end # # 168 PRO HG2 169 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2640, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2658,2667, &end # # 168 PRO HG2 169 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2640, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2660,2665, &end # # 168 PRO HG3 169 TYR QD 8.60 &rst ixpk= 0, nxpk= 0, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2658,2667, &end # # 168 PRO HG3 169 TYR QE 8.60 &rst ixpk= 0, nxpk= 0, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2=2660,2665, &end # # 168 PRO QD 169 TYR QD 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1=2637,2638, igr2=2658,2667, &end # # 168 PRO QD 169 TYR QE 9.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60, igr1=2637,2638, igr2=2660,2665, &end # # 169 TYR HN 169 TYR QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2650, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2660,2665, &end # # 169 TYR HN 170 ARG+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat=2650,2671, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 169 TYR HB2 170 ARG+ HN 5.80 &rst ixpk= 0, nxpk= 0, iat=2654,2671, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 169 TYR HB3 170 ARG+ HN 5.80 &rst ixpk= 0, nxpk= 0, iat=2655,2671, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 169 TYR QD 170 ARG+ HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2671, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2658,2667, &end # # 169 TYR QE 170 ARG+ HN 8.60 &rst ixpk= 0, nxpk= 0, iat= -1,2671, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr1=2660,2665, &end # # 170 ARG+ HN 170 ARG+ HG2 5.30 &rst ixpk= 0, nxpk= 0, iat=2671,2678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 170 ARG+ HN 170 ARG+ HG3 5.30 &rst ixpk= 0, nxpk= 0, iat=2671,2679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 170 ARG+ HN 170 ARG+ QG 5.08 &rst ixpk= 0, nxpk= 0, iat=2671, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=2678,2679, &end # # 170 ARG+ HN 170 ARG+ QD 6.80 &rst ixpk= 0, nxpk= 0, iat=2671, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, igr2=2681,2682, &end # # 170 ARG+ HN 171 LYS+ HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2671,2695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 170 ARG+ HA 170 ARG+ QD 6.60 &rst ixpk= 0, nxpk= 0, iat=2673, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2681,2682, &end # # 170 ARG+ HB2 171 LYS+ HN 4.20 &rst ixpk= 0, nxpk= 0, iat=2675,2695, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 170 ARG+ HB3 171 LYS+ HN 4.20 &rst ixpk= 0, nxpk= 0, iat=2676,2695, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 170 ARG+ QB 171 LYS+ HN 4.01 &rst ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=2675,2676, &end # # 170 ARG+ QD 171 LYS+ HN 7.60 &rst ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr1=2681,2682, &end # # 171 LYS+ HN 171 LYS+ HB2 4.10 &rst ixpk= 0, nxpk= 0, iat=2695,2699, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 171 LYS+ HN 171 LYS+ HB3 4.10 &rst ixpk= 0, nxpk= 0, iat=2695,2700, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 171 LYS+ HN 171 LYS+ QB 3.44 &rst ixpk= 0, nxpk= 0, iat=2695, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=2699,2700, &end # # 171 LYS+ HN 171 LYS+ HG2 4.60 &rst ixpk= 0, nxpk= 0, iat=2695,2702, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 171 LYS+ HN 171 LYS+ HG3 4.60 &rst ixpk= 0, nxpk= 0, iat=2695,2703, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 171 LYS+ HN 171 LYS+ QG 3.74 &rst ixpk= 0, nxpk= 0, iat=2695, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2702,2703, &end # # 171 LYS+ HN 171 LYS+ QD 6.30 &rst ixpk= 0, nxpk= 0, iat=2695, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=2705,2706, &end # # 171 LYS+ HN 171 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2695, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2708,2709, &end # # 171 LYS+ HA 171 LYS+ QG 3.28 &rst ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=2702,2703, &end # # 171 LYS+ HA 171 LYS+ QD 6.40 &rst ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr2=2705,2706, &end # # 171 LYS+ HA 171 LYS+ QE 6.10 &rst ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2=2708,2709, &end # # 171 LYS+ HB2 171 LYS+ QD 3.90 &rst ixpk= 0, nxpk= 0, iat=2699, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=2705,2706, &end # # 171 LYS+ HB2 171 LYS+ QE 6.90 &rst ixpk= 0, nxpk= 0, iat=2699, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=2708,2709, &end # # 171 LYS+ HB2 172 LYS+ HN 4.40 &rst ixpk= 0, nxpk= 0, iat=2699,2717, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 171 LYS+ HB3 171 LYS+ QD 3.90 &rst ixpk= 0, nxpk= 0, iat=2700, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=2705,2706, &end # # 171 LYS+ HB3 171 LYS+ QE 6.90 &rst ixpk= 0, nxpk= 0, iat=2700, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=2708,2709, &end # # 171 LYS+ HB3 172 LYS+ HN 4.40 &rst ixpk= 0, nxpk= 0, iat=2700,2717, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 171 LYS+ QB 171 LYS+ QD 3.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=2699,2700, igr2=2705,2706, &end # # 171 LYS+ QB 171 LYS+ QE 6.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2699,2700, igr2=2708,2709, &end # # 171 LYS+ QB 172 LYS+ HN 3.88 &rst ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1=2699,2700, &end # # 171 LYS+ QB 173 SER HN 5.68 &rst ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=2699,2700, &end # # 171 LYS+ QG 172 LYS+ HN 6.48 &rst ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1=2702,2703, &end # # 171 LYS+ QD 172 LYS+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=2705,2706, &end # # 172 LYS+ HN 172 LYS+ QB 3.72 &rst ixpk= 0, nxpk= 0, iat=2717, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=2721,2722, &end # # 172 LYS+ HN 172 LYS+ HG2 4.60 &rst ixpk= 0, nxpk= 0, iat=2717,2724, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 172 LYS+ HN 172 LYS+ HG3 4.60 &rst ixpk= 0, nxpk= 0, iat=2717,2725, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 172 LYS+ HN 172 LYS+ QG 4.08 &rst ixpk= 0, nxpk= 0, iat=2717, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=2724,2725, &end # # 172 LYS+ HN 172 LYS+ QD 4.60 &rst ixpk= 0, nxpk= 0, iat=2717, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=2727,2728, &end # # 172 LYS+ HN 172 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2717, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2730,2731, &end # # 172 LYS+ HN 173 SER HN 5.30 &rst ixpk= 0, nxpk= 0, iat=2717,2739, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 172 LYS+ HA 172 LYS+ QD 4.60 &rst ixpk= 0, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=2727,2728, &end # # 172 LYS+ HB2 172 LYS+ QD 3.40 &rst ixpk= 0, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=2727,2728, &end # # 172 LYS+ HB2 172 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2730,2731, &end # # 172 LYS+ HB2 173 SER HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2721,2739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 172 LYS+ HB3 172 LYS+ QD 3.40 &rst ixpk= 0, nxpk= 0, iat=2722, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=2727,2728, &end # # 172 LYS+ HB3 172 LYS+ QE 7.60 &rst ixpk= 0, nxpk= 0, iat=2722, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2=2730,2731, &end # # 172 LYS+ HB3 173 SER HN 5.00 &rst ixpk= 0, nxpk= 0, iat=2722,2739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 172 LYS+ QB 173 SER HN 4.72 &rst ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2721,2722, &end # # 172 LYS+ HG2 173 SER HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2724,2739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 172 LYS+ HG3 173 SER HN 6.60 &rst ixpk= 0, nxpk= 0, iat=2725,2739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end # # 172 LYS+ QG 173 SER HN 5.97 &rst ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1=2724,2725, &end
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