NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
8982 | 1n87 | 5594 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 2 LEU HN 2 LEU HA 3.15 &rst ixpk= 0, nxpk= 0, iat= 19, 21, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, rk2=32.0, rk3=32.0, ir6=1, ialtd=0, &end # # 2 LEU HN 2 LEU QB 4.45 &rst ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2= 23, 24, &end # # 2 LEU HN 2 LEU QB 5.35 &rst ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2= 23, 24, &end # # 2 LEU HN 2 LEU QQD 6.76 &rst ixpk= 0, nxpk= 0, iat= 19, 25, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, &end # # 2 LEU HN 3 CYS HN 4.72 &rst ixpk= 0, nxpk= 0, iat= 19, 38, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 2 LEU HN 3 CYS HN 4.82 &rst ixpk= 0, nxpk= 0, iat= 19, 38, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 2 LEU HA 3 CYS HN 2.83 &rst ixpk= 0, nxpk= 0, iat= 21, 38, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 2 LEU HA 7 GLY HN 5.74 &rst ixpk= 0, nxpk= 0, iat= 21, 89, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end # # 2 LEU HA 22 ILE HN 5.78 &rst ixpk= 0, nxpk= 0, iat= 21, 341, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 2 LEU QB 3 CYS HN 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 23, 24, &end # # 3 CYS HN 3 CYS HA 2.95 &rst ixpk= 0, nxpk= 0, iat= 38, 40, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 3 CYS HN 3 CYS HB2 3.36 &rst ixpk= 0, nxpk= 0, iat= 38, 42, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 3 CYS HN 3 CYS HB3 3.3 &rst ixpk= 0, nxpk= 0, iat= 38, 43, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 3 CYS HN 4 ALA HN 4.72 &rst ixpk= 0, nxpk= 0, iat= 38, 49, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 3 CYS HN 4 ALA HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 38, 49, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HN 5 ILE HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 38, 59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HN 6 SER HN 5.37 &rst ixpk= 0, nxpk= 0, iat= 38, 78, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 3 CYS HN 6 SER HN 5.12 &rst ixpk= 0, nxpk= 0, iat= 38, 78, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 3 CYS HN 7 GLY HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 38, 89, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 3 CYS HN 7 GLY HN 3.82 &rst ixpk= 0, nxpk= 0, iat= 38, 89, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 3 CYS HN 8 LYS+ HN 3.73 &rst ixpk= 0, nxpk= 0, iat= 38, 96, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 3 CYS HN 8 LYS+ HN 3.61 &rst ixpk= 0, nxpk= 0, iat= 38, 96, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 3 CYS HN 23 PHE HA 4.78 &rst ixpk= 0, nxpk= 0, iat= 38, 362, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 3 CYS HN 24 GLU- HN 5.16 &rst ixpk= 0, nxpk= 0, iat= 38, 380, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 3 CYS HA 24 GLU- HN 3.99 &rst ixpk= 0, nxpk= 0, iat= 40, 380, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 3 CYS HB2 4 ALA HN 4.1 &rst ixpk= 0, nxpk= 0, iat= 42, 49, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 3 CYS HB2 5 ILE HN 5.65 &rst ixpk= 0, nxpk= 0, iat= 42, 59, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 3 CYS HB2 6 SER HN 4.69 &rst ixpk= 0, nxpk= 0, iat= 42, 78, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 3 CYS HB2 7 GLY HN 3.95 &rst ixpk= 0, nxpk= 0, iat= 42, 89, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 3 CYS HB2 8 LYS+ HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 42, 96, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 3 CYS HB2 24 GLU- HN 5.06 &rst ixpk= 0, nxpk= 0, iat= 42, 380, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 3 CYS HB3 4 ALA HN 3.85 &rst ixpk= 0, nxpk= 0, iat= 43, 49, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 3 CYS HB3 5 ILE HN 5.56 &rst ixpk= 0, nxpk= 0, iat= 43, 59, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end # # 3 CYS HB3 6 SER HN 4.26 &rst ixpk= 0, nxpk= 0, iat= 43, 78, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 3 CYS HB3 7 GLY HN 3.61 &rst ixpk= 0, nxpk= 0, iat= 43, 89, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 3 CYS HB3 8 LYS+ HN 4.16 &rst ixpk= 0, nxpk= 0, iat= 43, 96, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 3 CYS HB3 24 GLU- HN 3.93 &rst ixpk= 0, nxpk= 0, iat= 43, 380, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 3 CYS HG 5 ILE HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 45, 59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HG 6 SER HN 5.44 &rst ixpk= 0, nxpk= 0, iat= 45, 78, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 3 CYS HG 7 GLY HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 45, 89, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HG 8 LYS+ HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 45, 96, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 4 ALA HN 4 ALA HA 3.09 &rst ixpk= 0, nxpk= 0, iat= 49, 51, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 4 ALA HN 4 ALA QB 3.83 &rst ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 53, 54, 55, &end # # 4 ALA HN 5 ILE HN 3.48 &rst ixpk= 0, nxpk= 0, iat= 49, 59, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 4 ALA HN 5 ILE HN 3.51 &rst ixpk= 0, nxpk= 0, iat= 49, 59, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 4 ALA HN 5 ILE QG1 6.53 &rst ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2= 69, 70, &end # # 4 ALA HN 6 SER HN 5 &rst ixpk= 0, nxpk= 0, iat= 49, 78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 4 ALA HN 7 GLY HN 5.09 &rst ixpk= 0, nxpk= 0, iat= 49, 89, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 4 ALA HN 7 GLY HN 5.03 &rst ixpk= 0, nxpk= 0, iat= 49, 89, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 4 ALA HN 21 THR HB 5.9 &rst ixpk= 0, nxpk= 0, iat= 49, 331, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 4 ALA HN 21 THR QG2 5.84 &rst ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr2= 333, 334, 335, &end # # 4 ALA HN 22 ILE HN 5.65 &rst ixpk= 0, nxpk= 0, iat= 49, 341, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 4 ALA HN 22 ILE QG2 6.87 &rst ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, igr2= 347, 348, 349, &end # # 4 ALA HN 23 PHE HN 5.65 &rst ixpk= 0, nxpk= 0, iat= 49, 360, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 4 ALA HN 23 PHE HN 5.28 &rst ixpk= 0, nxpk= 0, iat= 49, 360, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 4 ALA HN 23 PHE HA 3.3 &rst ixpk= 0, nxpk= 0, iat= 49, 362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 4 ALA HN 23 PHE HB3 5.9 &rst ixpk= 0, nxpk= 0, iat= 49, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 4 ALA HN 24 GLU- HN 4.69 &rst ixpk= 0, nxpk= 0, iat= 49, 380, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 4 ALA HN 24 GLU- HN 4.6 &rst ixpk= 0, nxpk= 0, iat= 49, 380, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 4 ALA QB 21 THR HN 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 53, 54, 55, &end # # 4 ALA QB 22 ILE HN 6.12 &rst ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85, igr1= 53, 54, 55, &end # # 5 ILE HN 5 ILE HA 3.12 &rst ixpk= 0, nxpk= 0, iat= 59, 61, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 5 ILE HN 5 ILE HB 2.8 &rst ixpk= 0, nxpk= 0, iat= 59, 63, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 5 ILE HN 5 ILE QG1 4.48 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 69, 70, &end # # 5 ILE HN 5 ILE QD1 4.82 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 72, 73, 74, &end # # 5 ILE HN 6 SER HN 3.17 &rst ixpk= 0, nxpk= 0, iat= 59, 78, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 5 ILE HN 6 SER HN 2.99 &rst ixpk= 0, nxpk= 0, iat= 59, 78, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 5 ILE HN 6 SER HA 5.44 &rst ixpk= 0, nxpk= 0, iat= 59, 80, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 5 ILE HN 6 SER QB 5.26 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 82, 83, &end # # 5 ILE HN 7 GLY HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 59, 89, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 5 ILE HN 7 GLY HN 3.82 &rst ixpk= 0, nxpk= 0, iat= 59, 89, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 5 ILE HN 8 LYS+ HN 5.71 &rst ixpk= 0, nxpk= 0, iat= 59, 96, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 5 ILE HN 23 PHE HA 4.44 &rst ixpk= 0, nxpk= 0, iat= 59, 362, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 5 ILE HN 23 PHE HB2 5.9 &rst ixpk= 0, nxpk= 0, iat= 59, 364, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 5 ILE HN 23 PHE HB3 5.9 &rst ixpk= 0, nxpk= 0, iat= 59, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 5 ILE HN 27 LEU HG 5.9 &rst ixpk= 0, nxpk= 0, iat= 59, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 5 ILE HA 6 SER HN 3.67 &rst ixpk= 0, nxpk= 0, iat= 61, 78, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 5 ILE HB 6 SER HN 3.2 &rst ixpk= 0, nxpk= 0, iat= 63, 78, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 5 ILE HB 7 GLY HN 4.44 &rst ixpk= 0, nxpk= 0, iat= 63, 89, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 5 ILE QD1 6 SER HN 6.43 &rst ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 72, 73, 74, &end # # 5 ILE QD1 7 GLY HN 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, &end # # 5 ILE QD1 24 GLU- HN 6.31 &rst ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08, igr1= 72, 73, 74, &end # # 5 ILE QD1 28 LEU HN 6.03 &rst ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1= 72, 73, 74, &end # # 5 ILE QD1 31 TYR HN 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, &end # # 6 SER HN 6 SER HA 3.61 &rst ixpk= 0, nxpk= 0, iat= 78, 80, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 6 SER HN 7 GLY HN 3.17 &rst ixpk= 0, nxpk= 0, iat= 78, 89, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 6 SER HN 7 GLY HN 3.42 &rst ixpk= 0, nxpk= 0, iat= 78, 89, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 6 SER HN 7 GLY HA1 4.66 &rst ixpk= 0, nxpk= 0, iat= 78, 91, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 6 SER HN 8 LYS+ HN 4.1 &rst ixpk= 0, nxpk= 0, iat= 78, 96, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 6 SER HN 27 LEU HG 5.9 &rst ixpk= 0, nxpk= 0, iat= 78, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 6 SER HN 27 LEU QD2 5.25 &rst ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 441, 442, 443, &end # # 6 SER HA 7 GLY HN 3.67 &rst ixpk= 0, nxpk= 0, iat= 80, 89, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 6 SER HA 8 LYS+ HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 80, 96, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 7 GLY HN 7 GLY HA1 2.83 &rst ixpk= 0, nxpk= 0, iat= 89, 91, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 7 GLY HN 7 GLY HA2 2.83 &rst ixpk= 0, nxpk= 0, iat= 89, 92, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 7 GLY HN 8 LYS+ HN 3.11 &rst ixpk= 0, nxpk= 0, iat= 89, 96, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 7 GLY HN 8 LYS+ HN 3.05 &rst ixpk= 0, nxpk= 0, iat= 89, 96, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 7 GLY HN 8 LYS+ HA 5.62 &rst ixpk= 0, nxpk= 0, iat= 89, 98, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end # # 7 GLY HN 8 LYS+ HB3 4.19 &rst ixpk= 0, nxpk= 0, iat= 89, 101, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 7 GLY HN 8 LYS+ QD 6.03 &rst ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr2= 106, 107, &end # # 7 GLY HN 23 PHE HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 89, 362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 7 GLY HN 23 PHE HB3 5.9 &rst ixpk= 0, nxpk= 0, iat= 89, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 7 GLY HN 27 LEU QD1 5.78 &rst ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr2= 437, 438, 439, &end # # 7 GLY HA1 8 LYS+ HN 3.45 &rst ixpk= 0, nxpk= 0, iat= 91, 96, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 7 GLY HA2 8 LYS+ HN 3.28 &rst ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 8 LYS+ HN 8 LYS+ HA 3.2 &rst ixpk= 0, nxpk= 0, iat= 96, 98, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 8 LYS+ HN 8 LYS+ QB 4.08 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 100, 101, &end # # 8 LYS+ HN 8 LYS+ QG 4.7 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 103, 104, &end # # 8 LYS+ HN 8 LYS+ QD 4.3 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 106, 107, &end # # 8 LYS+ HN 9 VAL HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 96, 118, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 8 LYS+ HN 9 VAL QQG 7.12 &rst ixpk= 0, nxpk= 0, iat= 96, 121, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, &end # # 8 LYS+ HA 9 VAL HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 98, 118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 8 LYS+ QB 9 VAL HN 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 100, 101, &end # # 8 LYS+ QD 9 VAL HN 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 106, 107, &end # # 8 LYS+ QE 9 VAL HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 109, 110, &end # # 9 VAL HN 9 VAL HA 3.17 &rst ixpk= 0, nxpk= 0, iat= 118, 120, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 9 VAL HN 9 VAL HB 2.8 &rst ixpk= 0, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 9 VAL HN 9 VAL QQG 4.92 &rst ixpk= 0, nxpk= 0, iat= 118, 121, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 10 PRO HA 11 ARG+ HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 11 ARG+ N 25 LYS+ HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 147, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 11 ARG+ HN 11 ARG+ HA 3.11 &rst ixpk= 0, nxpk= 0, iat= 148, 150, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 11 ARG+ HN 11 ARG+ QB 4.33 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 152, 153, &end # # 11 ARG+ HN 11 ARG+ QG 5.51 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr2= 155, 156, &end # # 11 ARG+ HN 11 ARG+ QD 6.75 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08, igr2= 158, 159, &end # # 11 ARG+ HN 12 ARG+ HN 2.86 &rst ixpk= 0, nxpk= 0, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 11 ARG+ HN 12 ARG+ HN 2.9 &rst ixpk= 0, nxpk= 0, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 11 ARG+ HN 13 PRO HD3 5.9 &rst ixpk= 0, nxpk= 0, iat= 148, 198, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 11 ARG+ HN 24 GLU- QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 384, 385, &end # # 11 ARG+ HN 24 GLU- QG 6.78 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 387, 388, &end # # 11 ARG+ HN 25 LYS+ HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 148, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 11 ARG+ HN 27 LEU QD2 6.93 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 441, 442, 443, &end # # 11 ARG+ HA 12 ARG+ HN 3.53 &rst ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 12 ARG+ HN 12 ARG+ HA 3.33 &rst ixpk= 0, nxpk= 0, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 12 ARG+ HN 12 ARG+ QB 3.68 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 176, 177, &end # # 12 ARG+ HN 12 ARG+ QG 3.86 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 179, 180, &end # # 12 ARG+ HN 12 ARG+ QD 5.78 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 182, 183, &end # # 12 ARG+ HN 13 PRO HD2 4.63 &rst ixpk= 0, nxpk= 0, iat= 172, 197, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 12 ARG+ HN 13 PRO HD3 4.04 &rst ixpk= 0, nxpk= 0, iat= 172, 198, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 12 ARG+ HN 24 GLU- QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 384, 385, &end # # 12 ARG+ HN 25 LYS+ HN 4.1 &rst ixpk= 0, nxpk= 0, iat= 172, 395, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 12 ARG+ HN 25 LYS+ HN 3.85 &rst ixpk= 0, nxpk= 0, iat= 172, 395, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 12 ARG+ HN 26 SER HN 4.41 &rst ixpk= 0, nxpk= 0, iat= 172, 417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 12 ARG+ HN 27 LEU QD2 6.43 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 441, 442, 443, &end # # 12 ARG+ QD 25 LYS+ HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 182, 183, &end # # 13 PRO HA 14 VAL HN 4.58 &rst ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 13 PRO HD3 14 VAL HN 4.8 &rst ixpk= 0, nxpk= 0, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 14 VAL HN 14 VAL HA 3.54 &rst ixpk= 0, nxpk= 0, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 14 VAL HN 14 VAL HB 3.76 &rst ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 14 VAL HN 14 VAL QG1 4.26 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 216, 217, 218, &end # # 14 VAL HN 15 LEU HN 4.78 &rst ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 14 VAL HN 15 LEU HN 4.57 &rst ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 14 VAL HN 15 LEU HN 4.6 &rst ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 14 VAL HN 22 ILE HA 4.02 &rst ixpk= 0, nxpk= 0, iat= 210, 343, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 14 VAL HN 22 ILE QG2 4.14 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 347, 348, 349, &end # # 14 VAL HN 23 PHE HN 3.54 &rst ixpk= 0, nxpk= 0, iat= 210, 360, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 14 VAL HN 23 PHE HA 4.66 &rst ixpk= 0, nxpk= 0, iat= 210, 362, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 14 VAL HN 23 PHE HB2 5.2 &rst ixpk= 0, nxpk= 0, iat= 210, 364, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 14 VAL HN 53 ILE HB 4.72 &rst ixpk= 0, nxpk= 0, iat= 210, 839, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 14 VAL HA 15 LEU HN 2.89 &rst ixpk= 0, nxpk= 0, iat= 212, 226, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 14 VAL HA 53 ILE HN 4.04 &rst ixpk= 0, nxpk= 0, iat= 212, 835, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 14 VAL HB 25 LYS+ HN 4.01 &rst ixpk= 0, nxpk= 0, iat= 214, 395, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 14 VAL QG1 15 LEU HN 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 216, 217, 218, &end # # 14 VAL QG1 23 PHE HN 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 216, 217, 218, &end # # 14 VAL QG1 25 LYS+ HN 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr1= 216, 217, 218, &end # # 14 VAL QG1 53 ILE HN 5.53 &rst ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 216, 217, 218, &end # # 15 LEU HN 15 LEU HA 3.36 &rst ixpk= 0, nxpk= 0, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 15 LEU HN 15 LEU HB2 3.2 &rst ixpk= 0, nxpk= 0, iat= 226, 230, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 15 LEU HN 15 LEU HB3 3.14 &rst ixpk= 0, nxpk= 0, iat= 226, 231, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 15 LEU HN 15 LEU QQD 6.36 &rst ixpk= 0, nxpk= 0, iat= 226, 232, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end # # 15 LEU HN 16 SER HN 4.57 &rst ixpk= 0, nxpk= 0, iat= 226, 245, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 15 LEU HN 23 PHE HN 6.1 &rst ixpk= 0, nxpk= 0, iat= 226, 360, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end # # 15 LEU HN 51 VAL HN 3.26 &rst ixpk= 0, nxpk= 0, iat= 226, 804, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 15 LEU HN 51 VAL HN 3.51 &rst ixpk= 0, nxpk= 0, iat= 226, 804, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 15 LEU HN 52 GLU- HA 3.36 &rst ixpk= 0, nxpk= 0, iat= 226, 822, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 15 LEU HN 53 ILE HN 4.16 &rst ixpk= 0, nxpk= 0, iat= 226, 835, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 15 LEU HA 16 SER HN 3.02 &rst ixpk= 0, nxpk= 0, iat= 228, 245, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 15 LEU HA 23 PHE HN 4.44 &rst ixpk= 0, nxpk= 0, iat= 228, 360, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 15 LEU HA 51 VAL HN 6.04 &rst ixpk= 0, nxpk= 0, iat= 228, 804, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end # # 15 LEU HB3 16 SER HN 4.69 &rst ixpk= 0, nxpk= 0, iat= 231, 245, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 15 LEU QQD 18 LYS+ HN 8.03 &rst ixpk= 0, nxpk= 0, iat= 232, 270, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, &end # # 15 LEU QQD 19 SER HN 8.03 &rst ixpk= 0, nxpk= 0, iat= 232, 292, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, &end # # 15 LEU QQD 20 ARG+ HN 6.58 &rst ixpk= 0, nxpk= 0, iat= 232, 303, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end # # 15 LEU QQD 21 THR HN 6.67 &rst ixpk= 0, nxpk= 0, iat= 232, 327, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end # # 15 LEU QQD 51 VAL HN 8.03 &rst ixpk= 0, nxpk= 0, iat= 232, 804, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, &end # # 16 SER HN 16 SER HA 4.04 &rst ixpk= 0, nxpk= 0, iat= 245, 247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 16 SER HN 18 LYS+ HN 4.72 &rst ixpk= 0, nxpk= 0, iat= 245, 270, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 16 SER HN 19 SER HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 245, 292, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 16 SER HN 20 ARG+ HN 4.54 &rst ixpk= 0, nxpk= 0, iat= 245, 303, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 16 SER HN 21 THR HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 245, 327, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 16 SER HA 18 LYS+ HN 3.95 &rst ixpk= 0, nxpk= 0, iat= 247, 270, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 16 SER HA 19 SER HN 5.78 &rst ixpk= 0, nxpk= 0, iat= 247, 292, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 16 SER HA 51 VAL HN 3.7 &rst ixpk= 0, nxpk= 0, iat= 247, 804, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 18 LYS+ HN 18 LYS+ HA 3.12 &rst ixpk= 0, nxpk= 0, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 18 LYS+ HN 18 LYS+ HB2 3.08 &rst ixpk= 0, nxpk= 0, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 18 LYS+ HN 18 LYS+ HB3 3.79 &rst ixpk= 0, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 18 LYS+ HN 18 LYS+ QG 4.67 &rst ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 277, 278, &end # # 18 LYS+ HN 18 LYS+ QD 6.78 &rst ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 280, 281, &end # # 18 LYS+ HN 18 LYS+ QD 4.67 &rst ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 280, 281, &end # # 18 LYS+ HN 18 LYS+ QE 6.78 &rst ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 283, 284, &end # # 18 LYS+ HN 19 SER HN 3.11 &rst ixpk= 0, nxpk= 0, iat= 270, 292, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 18 LYS+ HN 19 SER HN 2.95 &rst ixpk= 0, nxpk= 0, iat= 270, 292, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 18 LYS+ HN 19 SER QB 4.61 &rst ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr2= 296, 297, &end # # 18 LYS+ HN 20 ARG+ HN 3.92 &rst ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 18 LYS+ HN 20 ARG+ HN 3.51 &rst ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 18 LYS+ HA 19 SER HN 3.6 &rst ixpk= 0, nxpk= 0, iat= 272, 292, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 18 LYS+ HA 20 ARG+ HN 5.53 &rst ixpk= 0, nxpk= 0, iat= 272, 303, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 18 LYS+ HB2 19 SER HN 3.23 &rst ixpk= 0, nxpk= 0, iat= 274, 292, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 18 LYS+ HB2 20 ARG+ HN 5.06 &rst ixpk= 0, nxpk= 0, iat= 274, 303, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 18 LYS+ HB2 43 GLU- HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 274, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 18 LYS+ HB3 19 SER HN 3.36 &rst ixpk= 0, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 18 LYS+ QG 19 SER HN 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 277, 278, &end # # 18 LYS+ QD 19 SER HN 5.47 &rst ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 280, 281, &end # # 18 LYS+ QD 46 SER HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 280, 281, &end # # 18 LYS+ QE 46 SER HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 283, 284, &end # # 19 SER HN 19 SER HA 3.36 &rst ixpk= 0, nxpk= 0, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 19 SER HN 19 SER QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 296, 297, &end # # 19 SER HN 20 ARG+ HN 3.05 &rst ixpk= 0, nxpk= 0, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 19 SER HN 20 ARG+ HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 292, 305, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 19 SER HN 21 THR QG2 5.13 &rst ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 333, 334, 335, &end # # 19 SER HN 38 ASP- HB2 5.9 &rst ixpk= 0, nxpk= 0, iat= 292, 608, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 19 SER HN 38 ASP- HB3 4.63 &rst ixpk= 0, nxpk= 0, iat= 292, 609, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 19 SER HA 20 ARG+ HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 19 SER QB 40 ILE HN 6.25 &rst ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, igr1= 296, 297, &end # # 19 SER QB 41 THR HN 6.53 &rst ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 296, 297, &end # # 20 ARG+ HN 20 ARG+ HA 3.23 &rst ixpk= 0, nxpk= 0, iat= 303, 305, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 20 ARG+ HN 20 ARG+ QB 4.98 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2= 307, 308, &end # # 20 ARG+ HN 20 ARG+ QG 4.61 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr2= 310, 311, &end # # 20 ARG+ HN 20 ARG+ QD 6.31 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr2= 313, 314, &end # # 20 ARG+ HN 21 THR HN 3.42 &rst ixpk= 0, nxpk= 0, iat= 303, 327, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 20 ARG+ HN 21 THR QG2 5.5 &rst ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 333, 334, 335, &end # # 20 ARG+ QG 21 THR HN 5.78 &rst ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 310, 311, &end # # 21 THR HN 21 THR HB 3.45 &rst ixpk= 0, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 21 THR HN 21 THR QG2 4.6 &rst ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 333, 334, 335, &end # # 21 THR HA 22 ILE HN 5.16 &rst ixpk= 0, nxpk= 0, iat= 329, 341, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 21 THR QG2 22 ILE HN 6.09 &rst ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1= 333, 334, 335, &end # # 22 ILE HN 22 ILE HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 ILE HN 22 ILE HB 3.42 &rst ixpk= 0, nxpk= 0, iat= 341, 345, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 22 ILE HN 22 ILE QG2 4.97 &rst ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2= 347, 348, 349, &end # # 22 ILE HN 22 ILE QD1 5.47 &rst ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2= 354, 355, 356, &end # # 22 ILE HB 23 PHE HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 22 ILE QG2 23 PHE HN 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 347, 348, 349, &end # # 22 ILE QG2 53 ILE HN 6.62 &rst ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr1= 347, 348, 349, &end # # 22 ILE QG1 23 PHE HN 6.71 &rst ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1= 351, 352, &end # # 23 PHE HN 23 PHE HA 4.35 &rst ixpk= 0, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 23 PHE HN 23 PHE HB2 4.16 &rst ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 23 PHE HN 23 PHE HB3 3.88 &rst ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 23 PHE HN 24 GLU- HN 4.97 &rst ixpk= 0, nxpk= 0, iat= 360, 380, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 23 PHE HA 24 GLU- HN 3.11 &rst ixpk= 0, nxpk= 0, iat= 362, 380, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 23 PHE HB2 28 LEU HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 364, 447, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 24 GLU- HN 24 GLU- HA 3.54 &rst ixpk= 0, nxpk= 0, iat= 380, 382, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 24 GLU- HN 24 GLU- QB 4.14 &rst ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 384, 385, &end # # 24 GLU- HN 27 LEU HN 5.16 &rst ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 24 GLU- HN 27 LEU HN 4.32 &rst ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 24 GLU- HN 27 LEU HG 5.9 &rst ixpk= 0, nxpk= 0, iat= 380, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 24 GLU- HN 27 LEU QD2 5.32 &rst ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2= 441, 442, 443, &end # # 24 GLU- HN 28 LEU HN 4.85 &rst ixpk= 0, nxpk= 0, iat= 380, 447, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 24 GLU- HA 25 LYS+ HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 24 GLU- HA 25 LYS+ HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 24 GLU- HA 27 LEU HN 5.65 &rst ixpk= 0, nxpk= 0, iat= 382, 428, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 24 GLU- QB 25 LYS+ HN 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 384, 385, &end # # 24 GLU- QB 26 SER HN 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 384, 385, &end # # 24 GLU- QB 27 LEU HN 4.3 &rst ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 384, 385, &end # # 25 LYS+ HN 25 LYS+ HA 3.17 &rst ixpk= 0, nxpk= 0, iat= 395, 397, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 25 LYS+ HN 25 LYS+ QB 4.48 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 399, 400, &end # # 25 LYS+ HN 26 SER HN 3.36 &rst ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 25 LYS+ HN 26 SER HN 3.54 &rst ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 25 LYS+ HN 26 SER HA 5.16 &rst ixpk= 0, nxpk= 0, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 25 LYS+ HN 27 LEU HN 4.54 &rst ixpk= 0, nxpk= 0, iat= 395, 428, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 25 LYS+ HN 27 LEU HN 5.4 &rst ixpk= 0, nxpk= 0, iat= 395, 428, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 25 LYS+ HN 28 LEU HN 5.47 &rst ixpk= 0, nxpk= 0, iat= 395, 447, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 25 LYS+ HA 27 LEU HN 4.91 &rst ixpk= 0, nxpk= 0, iat= 397, 428, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 26 SER HN 26 SER HA 3.02 &rst ixpk= 0, nxpk= 0, iat= 417, 419, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 26 SER HN 26 SER QB 3.86 &rst ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 421, 422, &end # # 26 SER HN 27 LEU HN 3.26 &rst ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 26 SER HN 27 LEU HN 3.17 &rst ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 26 SER HN 27 LEU QQD 6.2 &rst ixpk= 0, nxpk= 0, iat= 417, 434, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end # # 26 SER HN 28 LEU HN 4.44 &rst ixpk= 0, nxpk= 0, iat= 417, 447, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 26 SER HN 28 LEU HN 4.32 &rst ixpk= 0, nxpk= 0, iat= 417, 447, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 26 SER HN 29 GLU- HN 5.78 &rst ixpk= 0, nxpk= 0, iat= 417, 466, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end # # 27 LEU HN 27 LEU HA 3.19 &rst ixpk= 0, nxpk= 0, iat= 428, 430, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 27 LEU HN 27 LEU QB 4.16 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 432, 433, &end # # 27 LEU HN 27 LEU HG 2.8 &rst ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 27 LEU HN 27 LEU QD1 3.98 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 437, 438, 439, &end # # 27 LEU HN 27 LEU QD2 4.39 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 441, 442, 443, &end # # 27 LEU HN 28 LEU HN 2.89 &rst ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 27 LEU HN 28 LEU HN 2.92 &rst ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 27 LEU HN 28 LEU HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 428, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 27 LEU HN 28 LEU QD1 6.93 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 456, 457, 458, &end # # 27 LEU HN 29 GLU- HN 4.16 &rst ixpk= 0, nxpk= 0, iat= 428, 466, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 27 LEU HN 29 GLU- HN 3.95 &rst ixpk= 0, nxpk= 0, iat= 428, 466, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 27 LEU HN 30 GLN HN 4.82 &rst ixpk= 0, nxpk= 0, iat= 428, 481, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 27 LEU HA 28 LEU HN 4.38 &rst ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 27 LEU HA 30 GLN HN 3.79 &rst ixpk= 0, nxpk= 0, iat= 430, 481, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 27 LEU HA 31 TYR HN 4.47 &rst ixpk= 0, nxpk= 0, iat= 430, 498, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 27 LEU QB 28 LEU HN 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 432, 433, &end # # 28 LEU HN 28 LEU HA 3.05 &rst ixpk= 0, nxpk= 0, iat= 447, 449, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 28 LEU HN 28 LEU QB 3.96 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 451, 452, &end # # 28 LEU HN 28 LEU QD1 4.97 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2= 456, 457, 458, &end # # 28 LEU HN 28 LEU QQD 5.21 &rst ixpk= 0, nxpk= 0, iat= 447, 453, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 28 LEU HN 29 GLU- HN 2.99 &rst ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 28 LEU HN 29 GLU- HN 2.99 &rst ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 28 LEU HN 30 GLN HN 4.05 &rst ixpk= 0, nxpk= 0, iat= 447, 481, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 28 LEU HN 31 TYR HN 4.82 &rst ixpk= 0, nxpk= 0, iat= 447, 498, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 28 LEU HA 29 GLU- HN 4.32 &rst ixpk= 0, nxpk= 0, iat= 449, 466, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 28 LEU QB 29 GLU- HN 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1= 451, 452, &end # # 28 LEU HG 29 GLU- HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 454, 466, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 28 LEU HG 31 TYR HN 5.12 &rst ixpk= 0, nxpk= 0, iat= 454, 498, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 28 LEU HG 32 VAL HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 454, 519, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 28 LEU QD1 29 GLU- HN 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 456, 457, 458, &end # # 28 LEU QD1 31 TYR HN 5.63 &rst ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr1= 456, 457, 458, &end # # 28 LEU QD1 40 ILE HN 6.77 &rst ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr1= 456, 457, 458, &end # # 28 LEU QQD 29 GLU- HN 6.14 &rst ixpk= 0, nxpk= 0, iat= 453, 466, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end # # 28 LEU QQD 31 TYR HN 7.2 &rst ixpk= 0, nxpk= 0, iat= 453, 498, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end # # 28 LEU QQD 32 VAL HN 6.98 &rst ixpk= 0, nxpk= 0, iat= 453, 519, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end # # 28 LEU QQD 38 ASP- HN 8.03 &rst ixpk= 0, nxpk= 0, iat= 453, 604, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, &end # # 29 GLU- HN 29 GLU- HA 3.08 &rst ixpk= 0, nxpk= 0, iat= 466, 468, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 29 GLU- HN 29 GLU- HB2 2.8 &rst ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 29 GLU- HN 29 GLU- HB3 3.11 &rst ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 29 GLU- HN 29 GLU- QG 4.39 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2= 473, 474, &end # # 29 GLU- HN 30 GLN HN 3.22 &rst ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 29 GLU- HN 30 GLN HN 3.11 &rst ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 29 GLU- HN 50 ILE QD1 5.38 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr2= 798, 799, 800, &end # # 29 GLU- HA 30 GLN HN 3.57 &rst ixpk= 0, nxpk= 0, iat= 468, 481, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 30 GLN HN 30 GLN HA 3.06 &rst ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 30 GLN HN 30 GLN HB2 3.08 &rst ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 30 GLN HN 30 GLN HB3 2.83 &rst ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 30 GLN HN 30 GLN QG 4.7 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 488, 489, &end # # 30 GLN HN 31 TYR HN 2.95 &rst ixpk= 0, nxpk= 0, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 30 GLN HN 31 TYR HN 2.99 &rst ixpk= 0, nxpk= 0, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 30 GLN HN 31 TYR QB 5.16 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 502, 503, &end # # 30 GLN HN 32 VAL HN 4.29 &rst ixpk= 0, nxpk= 0, iat= 481, 519, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 30 GLN HN 32 VAL HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 481, 519, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 30 GLN HN 32 VAL QQG 6.32 &rst ixpk= 0, nxpk= 0, iat= 481, 522, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end # # 30 GLN HN 33 LYS+ HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 481, 535, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 30 GLN HN 33 LYS+ HN 5.31 &rst ixpk= 0, nxpk= 0, iat= 481, 535, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 30 GLN HN 33 LYS+ QD 5.41 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 545, 546, &end # # 30 GLN HA 31 TYR HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 483, 498, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 30 GLN HB2 31 TYR HN 3.64 &rst ixpk= 0, nxpk= 0, iat= 485, 498, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 30 GLN HB3 31 TYR HN 3.36 &rst ixpk= 0, nxpk= 0, iat= 486, 498, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 30 GLN QG 31 TYR HN 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 488, 489, &end # # 31 TYR HN 31 TYR HA 3.09 &rst ixpk= 0, nxpk= 0, iat= 498, 500, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 31 TYR HN 31 TYR QB 3.71 &rst ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 502, 503, &end # # 31 TYR HN 32 VAL HN 2.99 &rst ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 31 TYR HN 32 VAL HN 2.95 &rst ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 31 TYR HN 32 VAL HA 5.22 &rst ixpk= 0, nxpk= 0, iat= 498, 521, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 31 TYR HN 32 VAL HB 4.47 &rst ixpk= 0, nxpk= 0, iat= 498, 523, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 31 TYR HN 33 LYS+ HN 4.35 &rst ixpk= 0, nxpk= 0, iat= 498, 535, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 31 TYR HA 32 VAL HN 3.48 &rst ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 31 TYR QB 32 VAL HN 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 502, 503, &end # # 31 TYR QB 33 LYS+ HN 5.72 &rst ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1= 502, 503, &end # # 31 TYR QR 37 ASN HN 8.39 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07, igr1= 506, 515, 508, 513, &end # # 32 VAL HN 32 VAL HA 3.09 &rst ixpk= 0, nxpk= 0, iat= 519, 521, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 32 VAL HN 32 VAL HB 2.8 &rst ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 32 VAL HN 32 VAL QQG 5.08 &rst ixpk= 0, nxpk= 0, iat= 519, 522, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 32 VAL HN 33 LYS+ HN 2.99 &rst ixpk= 0, nxpk= 0, iat= 519, 535, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 32 VAL HN 33 LYS+ HN 2.95 &rst ixpk= 0, nxpk= 0, iat= 519, 535, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 32 VAL HN 33 LYS+ QD 6.16 &rst ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2= 545, 546, &end # # 32 VAL HA 33 LYS+ HN 4.84 &rst ixpk= 0, nxpk= 0, iat= 521, 535, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 32 VAL HA 34 ASP- HN 4.47 &rst ixpk= 0, nxpk= 0, iat= 521, 557, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 32 VAL HA 35 THR HN 3.33 &rst ixpk= 0, nxpk= 0, iat= 521, 569, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 32 VAL HA 36 GLY HN 2.92 &rst ixpk= 0, nxpk= 0, iat= 521, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 32 VAL HA 37 ASN HN 3.54 &rst ixpk= 0, nxpk= 0, iat= 521, 590, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 32 VAL HA 45 LEU HN 5.4 &rst ixpk= 0, nxpk= 0, iat= 521, 706, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 32 VAL HA 46 SER HN 5.53 &rst ixpk= 0, nxpk= 0, iat= 521, 725, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end # # 32 VAL HA 47 ILE HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 521, 736, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 32 VAL HB 36 GLY HN 4.69 &rst ixpk= 0, nxpk= 0, iat= 523, 583, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 32 VAL QQG 33 LYS+ HN 6.63 &rst ixpk= 0, nxpk= 0, iat= 522, 535, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end # # 32 VAL QQG 34 ASP- HN 8.02 &rst ixpk= 0, nxpk= 0, iat= 522, 557, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, &end # # 32 VAL QQG 36 GLY HN 7.99 &rst ixpk= 0, nxpk= 0, iat= 522, 583, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49, &end # # 32 VAL QQG 37 ASN HN 8.02 &rst ixpk= 0, nxpk= 0, iat= 522, 590, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, &end # # 32 VAL QQG 45 LEU HN 6.66 &rst ixpk= 0, nxpk= 0, iat= 522, 706, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end # # 32 VAL QQG 46 SER HN 6.26 &rst ixpk= 0, nxpk= 0, iat= 522, 725, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end # # 33 LYS+ HN 33 LYS+ HA 3.2 &rst ixpk= 0, nxpk= 0, iat= 535, 537, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 33 LYS+ HN 33 LYS+ QB 4.05 &rst ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 539, 540, &end # # 33 LYS+ HN 33 LYS+ QG 4.89 &rst ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 542, 543, &end # # 33 LYS+ HN 33 LYS+ QD 4.11 &rst ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 545, 546, &end # # 33 LYS+ HN 33 LYS+ QE 6.78 &rst ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 548, 549, &end # # 33 LYS+ HN 34 ASP- HN 2.86 &rst ixpk= 0, nxpk= 0, iat= 535, 557, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 33 LYS+ HN 34 ASP- HB2 5.34 &rst ixpk= 0, nxpk= 0, iat= 535, 561, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 33 LYS+ HN 34 ASP- HB3 5.9 &rst ixpk= 0, nxpk= 0, iat= 535, 562, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 33 LYS+ HN 35 THR HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 535, 569, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 33 LYS+ HN 36 GLY HN 4.13 &rst ixpk= 0, nxpk= 0, iat= 535, 583, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 33 LYS+ HN 36 GLY HA1 4.6 &rst ixpk= 0, nxpk= 0, iat= 535, 585, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 33 LYS+ HN 47 ILE QD1 6.93 &rst ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 749, 750, 751, &end # # 33 LYS+ QG 34 ASP- HN 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 542, 543, &end # # 34 ASP- HN 35 THR HN 3.02 &rst ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 34 ASP- HN 35 THR HN 2.83 &rst ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 34 ASP- HN 36 GLY HN 3.57 &rst ixpk= 0, nxpk= 0, iat= 557, 583, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 34 ASP- HN 36 GLY QA 4.7 &rst ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 585, 586, &end # # 34 ASP- HB2 35 THR HN 2.95 &rst ixpk= 0, nxpk= 0, iat= 561, 569, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 34 ASP- HB2 36 GLY HN 4.18 &rst ixpk= 0, nxpk= 0, iat= 561, 583, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 34 ASP- HB3 35 THR HN 3.2 &rst ixpk= 0, nxpk= 0, iat= 562, 569, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 34 ASP- HB3 36 GLY HN 4.2 &rst ixpk= 0, nxpk= 0, iat= 562, 583, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 35 THR HN 35 THR HA 3.19 &rst ixpk= 0, nxpk= 0, iat= 569, 571, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 35 THR HN 35 THR QG2 3.86 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 575, 576, 577, &end # # 35 THR HN 36 GLY QA 4.61 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr2= 585, 586, &end # # 35 THR HN 36 GLY QA 4.3 &rst ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 585, 586, &end # # 35 THR HA 37 ASN HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 571, 590, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 35 THR QG2 36 GLY HN 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 575, 576, 577, &end # # 35 THR QG2 37 ASN HN 4.73 &rst ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 575, 576, 577, &end # # 36 GLY HN 36 GLY HA1 3 &rst ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 36 GLY HN 36 GLY HA2 3.2 &rst ixpk= 0, nxpk= 0, iat= 583, 586, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 36 GLY HN 37 ASN HN 3.02 &rst ixpk= 0, nxpk= 0, iat= 583, 590, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 36 GLY HN 45 LEU HN 5 &rst ixpk= 0, nxpk= 0, iat= 583, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 36 GLY HA1 37 ASN HN 3.92 &rst ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 36 GLY HA1 45 LEU HN 3.93 &rst ixpk= 0, nxpk= 0, iat= 585, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 36 GLY HA2 37 ASN HN 3.73 &rst ixpk= 0, nxpk= 0, iat= 586, 590, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 36 GLY HA2 45 LEU HN 4.35 &rst ixpk= 0, nxpk= 0, iat= 586, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 37 ASN HN 37 ASN HA 3.39 &rst ixpk= 0, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 37 ASN HN 38 ASP- HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 590, 604, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 37 ASN HN 42 ASN HB2 5.9 &rst ixpk= 0, nxpk= 0, iat= 590, 667, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 37 ASN HN 44 PRO HA 5.09 &rst ixpk= 0, nxpk= 0, iat= 590, 702, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 37 ASN HN 45 LEU HN 3.88 &rst ixpk= 0, nxpk= 0, iat= 590, 706, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 37 ASN HN 45 LEU HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 590, 706, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 37 ASN HA 38 ASP- HN 2.83 &rst ixpk= 0, nxpk= 0, iat= 592, 604, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 37 ASN HA 42 ASN HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 592, 663, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 37 ASN HA 43 GLU- HN 4.44 &rst ixpk= 0, nxpk= 0, iat= 592, 677, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 37 ASN HA 45 LEU HN 2.83 &rst ixpk= 0, nxpk= 0, iat= 592, 706, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 37 ASN HA 46 SER HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 592, 725, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 37 ASN HB3 38 ASP- HN 3.71 &rst ixpk= 0, nxpk= 0, iat= 595, 604, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 37 ASN HB3 42 ASN HN 5.71 &rst ixpk= 0, nxpk= 0, iat= 595, 663, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 37 ASN HB3 43 GLU- HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 595, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 38 ASP- HN 38 ASP- HA 3.25 &rst ixpk= 0, nxpk= 0, iat= 604, 606, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 38 ASP- HN 38 ASP- HB2 2.92 &rst ixpk= 0, nxpk= 0, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 38 ASP- HN 38 ASP- HB3 3.59 &rst ixpk= 0, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 38 ASP- HN 40 ILE HN 5.31 &rst ixpk= 0, nxpk= 0, iat= 604, 630, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 38 ASP- HN 42 ASN HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 604, 663, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 38 ASP- HN 43 GLU- HN 3.54 &rst ixpk= 0, nxpk= 0, iat= 604, 677, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 38 ASP- HN 45 LEU HN 4.35 &rst ixpk= 0, nxpk= 0, iat= 604, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 38 ASP- HN 45 LEU HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 604, 706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 38 ASP- HB2 40 ILE HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 608, 630, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 38 ASP- HB2 41 THR HN 3.57 &rst ixpk= 0, nxpk= 0, iat= 608, 649, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 38 ASP- HB2 43 GLU- HN 3.14 &rst ixpk= 0, nxpk= 0, iat= 608, 677, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 38 ASP- HB3 42 ASN HN 4.1 &rst ixpk= 0, nxpk= 0, iat= 609, 663, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 38 ASP- HB3 43 GLU- HN 4.32 &rst ixpk= 0, nxpk= 0, iat= 609, 677, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 40 ILE HN 40 ILE HA 3.19 &rst ixpk= 0, nxpk= 0, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 40 ILE HN 40 ILE HB 2.8 &rst ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 40 ILE HN 40 ILE QG2 6.93 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 636, 637, 638, &end # # 40 ILE HN 40 ILE QG1 4.08 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 640, 641, &end # # 40 ILE HN 40 ILE QD1 3.83 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 643, 644, 645, &end # # 40 ILE HN 41 THR HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 630, 649, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 40 ILE HN 41 THR HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 630, 649, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 40 ILE HN 42 ASN HN 3.33 &rst ixpk= 0, nxpk= 0, iat= 630, 663, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 40 ILE HN 42 ASN HN 3.3 &rst ixpk= 0, nxpk= 0, iat= 630, 663, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 40 ILE HN 43 GLU- HN 4.92 &rst ixpk= 0, nxpk= 0, iat= 630, 677, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 40 ILE HA 41 THR HN 3.68 &rst ixpk= 0, nxpk= 0, iat= 632, 649, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 40 ILE HA 42 ASN HN 4.85 &rst ixpk= 0, nxpk= 0, iat= 632, 663, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 40 ILE HB 41 THR HN 2.89 &rst ixpk= 0, nxpk= 0, iat= 634, 649, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 40 ILE QG2 41 THR HN 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 636, 637, 638, &end # # 40 ILE QG1 42 ASN HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 640, 641, &end # # 41 THR HN 41 THR HA 3.36 &rst ixpk= 0, nxpk= 0, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 41 THR HN 41 THR QG2 3.83 &rst ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 655, 656, 657, &end # # 41 THR HN 41 THR HG1 5.87 &rst ixpk= 0, nxpk= 0, iat= 649, 659, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 41 THR HN 42 ASN HN 3.08 &rst ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 41 THR HN 42 ASN HN 2.86 &rst ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 41 THR HN 43 GLU- HN 3.85 &rst ixpk= 0, nxpk= 0, iat= 649, 677, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 41 THR HN 43 GLU- HN 4.26 &rst ixpk= 0, nxpk= 0, iat= 649, 677, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 41 THR QG2 42 ASN HN 4.73 &rst ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 655, 656, 657, &end # # 41 THR QG2 43 GLU- HN 4.97 &rst ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 655, 656, 657, &end # # 41 THR HG1 42 ASN HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 41 THR HG1 43 GLU- HN 4.04 &rst ixpk= 0, nxpk= 0, iat= 659, 677, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 42 ASN HN 42 ASN HA 2.8 &rst ixpk= 0, nxpk= 0, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 42 ASN HN 42 ASN HB2 3.67 &rst ixpk= 0, nxpk= 0, iat= 663, 667, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 42 ASN HN 42 ASN HB3 3.51 &rst ixpk= 0, nxpk= 0, iat= 663, 668, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 42 ASN HN 43 GLU- HN 3.05 &rst ixpk= 0, nxpk= 0, iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 42 ASN HN 43 GLU- HN 3.05 &rst ixpk= 0, nxpk= 0, iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 42 ASN HN 43 GLU- QB 5.82 &rst ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2= 681, 682, &end # # 42 ASN HA 43 GLU- HN 3.73 &rst ixpk= 0, nxpk= 0, iat= 665, 677, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 42 ASN HB2 43 GLU- HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 667, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 43 GLU- HN 43 GLU- HA 3.12 &rst ixpk= 0, nxpk= 0, iat= 677, 679, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 43 GLU- HN 43 GLU- QB 4.45 &rst ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2= 681, 682, &end # # 43 GLU- HN 43 GLU- HG2 3 &rst ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 43 GLU- HN 43 GLU- HG3 3.02 &rst ixpk= 0, nxpk= 0, iat= 677, 685, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 45 LEU HN 45 LEU HA 2.99 &rst ixpk= 0, nxpk= 0, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 45 LEU HN 45 LEU QB 4.14 &rst ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 710, 711, &end # # 45 LEU HN 45 LEU HG 4.1 &rst ixpk= 0, nxpk= 0, iat= 706, 713, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 45 LEU HN 45 LEU QQD 6.3 &rst ixpk= 0, nxpk= 0, iat= 706, 712, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end # # 45 LEU HA 46 SER HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 708, 725, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 45 LEU HA 47 ILE HN 4.41 &rst ixpk= 0, nxpk= 0, iat= 708, 736, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 45 LEU HG 46 SER HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 713, 725, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 46 SER HN 46 SER HA 3.11 &rst ixpk= 0, nxpk= 0, iat= 725, 727, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 46 SER HN 46 SER HB2 3.36 &rst ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 46 SER HN 46 SER HB3 3.23 &rst ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 46 SER HN 47 ILE HN 4.01 &rst ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 46 SER HN 47 ILE HN 4.01 &rst ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 46 SER HN 47 ILE HB 4.47 &rst ixpk= 0, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 46 SER HN 47 ILE QG2 5.01 &rst ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2= 742, 743, 744, &end # # 46 SER HN 47 ILE QG1 6.78 &rst ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 746, 747, &end # # 46 SER HN 49 GLU- HN 4.36 &rst ixpk= 0, nxpk= 0, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 46 SER HN 49 GLU- HN 4.39 &rst ixpk= 0, nxpk= 0, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 46 SER HN 49 GLU- QB 4.98 &rst ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2= 774, 775, &end # # 46 SER HA 47 ILE HN 4.13 &rst ixpk= 0, nxpk= 0, iat= 727, 736, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 46 SER HA 48 GLU- HN 4.38 &rst ixpk= 0, nxpk= 0, iat= 727, 755, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 46 SER HB2 47 ILE HN 3.35 &rst ixpk= 0, nxpk= 0, iat= 729, 736, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 47 ILE HN 47 ILE HA 2.8 &rst ixpk= 0, nxpk= 0, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 47 ILE HN 47 ILE HB 2.8 &rst ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 47 ILE HN 47 ILE QG2 3.98 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2= 742, 743, 744, &end # # 47 ILE HN 47 ILE QG1 4.76 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 746, 747, &end # # 47 ILE HN 47 ILE QD1 3.83 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 749, 750, 751, &end # # 47 ILE HN 49 GLU- HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 736, 770, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 47 ILE HN 49 GLU- QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 774, 775, &end # # 47 ILE HN 50 ILE HB 4.47 &rst ixpk= 0, nxpk= 0, iat= 736, 789, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 47 ILE HA 48 GLU- HN 3.43 &rst ixpk= 0, nxpk= 0, iat= 738, 755, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 47 ILE HA 49 GLU- HN 3.17 &rst ixpk= 0, nxpk= 0, iat= 738, 770, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 47 ILE QG2 48 GLU- HN 5.07 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 742, 743, 744, &end # # 47 ILE QG1 48 GLU- HN 5.66 &rst ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1= 746, 747, &end # # 47 ILE QG1 49 GLU- HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 746, 747, &end # # 48 GLU- HN 48 GLU- HA 2.86 &rst ixpk= 0, nxpk= 0, iat= 755, 757, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 48 GLU- HN 48 GLU- HB2 2.89 &rst ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 48 GLU- HN 48 GLU- HG2 2.89 &rst ixpk= 0, nxpk= 0, iat= 755, 762, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 48 GLU- HN 49 GLU- HN 2.89 &rst ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 48 GLU- HN 49 GLU- HN 3.02 &rst ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 48 GLU- HN 50 ILE HN 3.96 &rst ixpk= 0, nxpk= 0, iat= 755, 785, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 49 GLU- HN 49 GLU- HA 3.03 &rst ixpk= 0, nxpk= 0, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 49 GLU- HN 49 GLU- QB 3.83 &rst ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 774, 775, &end # # 49 GLU- HN 50 ILE HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 49 GLU- HN 50 ILE HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 49 GLU- HN 50 ILE QG2 4.11 &rst ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 791, 792, 793, &end # # 49 GLU- HA 50 ILE HN 3.08 &rst ixpk= 0, nxpk= 0, iat= 772, 785, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 49 GLU- QB 50 ILE HN 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 774, 775, &end # # 50 ILE HN 50 ILE HA 2.86 &rst ixpk= 0, nxpk= 0, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 50 ILE HN 50 ILE HB 2.8 &rst ixpk= 0, nxpk= 0, iat= 785, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 50 ILE HN 50 ILE QG2 4.14 &rst ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 791, 792, 793, &end # # 50 ILE HN 50 ILE QG1 6.78 &rst ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 795, 796, &end # # 50 ILE HN 50 ILE QD1 5.1 &rst ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2= 798, 799, 800, &end # # 50 ILE HN 51 VAL HN 4.38 &rst ixpk= 0, nxpk= 0, iat= 785, 804, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 50 ILE HA 51 VAL HN 2.8 &rst ixpk= 0, nxpk= 0, iat= 787, 804, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 51 VAL HN 51 VAL HA 3.23 &rst ixpk= 0, nxpk= 0, iat= 804, 806, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 51 VAL HN 51 VAL HB 2.8 &rst ixpk= 0, nxpk= 0, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 51 VAL HN 51 VAL QG1 4.02 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 810, 811, 812, &end # # 51 VAL HN 51 VAL QG2 3.93 &rst ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 814, 815, 816, &end # # 51 VAL HN 52 GLU- HN 4.23 &rst ixpk= 0, nxpk= 0, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 51 VAL QG1 52 GLU- HN 5.47 &rst ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1= 810, 811, 812, &end # # 51 VAL QG2 52 GLU- HN 4.6 &rst ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 814, 815, 816, &end # # 52 GLU- HN 52 GLU- QB 4.08 &rst ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 824, 825, &end # # 52 GLU- HN 52 GLU- QG 6.71 &rst ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr2= 827, 828, &end # # 52 GLU- HA 53 ILE HN 3.64 &rst ixpk= 0, nxpk= 0, iat= 822, 835, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 53 ILE HN 53 ILE HA 4.63 &rst ixpk= 0, nxpk= 0, iat= 835, 837, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 53 ILE HN 53 ILE HB 3.54 &rst ixpk= 0, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 1 MET QE 22 ILE QG2 6.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, igr1= 13, 14, 15, igr2= 347, 348, 349, &end # # 1 MET QE 22 ILE QD1 7.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98, igr1= 13, 14, 15, igr2= 354, 355, 356, &end # # 2 LEU HA 22 ILE HB 5.9 &rst ixpk= 0, nxpk= 0, iat= 21, 345, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 2 LEU QB 3 CYS HA 5.78 &rst ixpk= 0, nxpk= 0, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 23, 24, &end # # 3 CYS HA 5 ILE QD1 5.75 &rst ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2= 72, 73, 74, &end # # 3 CYS HA 23 PHE HA 3.08 &rst ixpk= 0, nxpk= 0, iat= 40, 362, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 3 CYS HA 23 PHE HD1 5.9 &rst ixpk= 0, nxpk= 0, iat= 40, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HA 23 PHE HD2 5.9 &rst ixpk= 0, nxpk= 0, iat= 40, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HB2 5 ILE HB 5.9 &rst ixpk= 0, nxpk= 0, iat= 42, 63, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HB2 5 ILE QD1 6.93 &rst ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 72, 73, 74, &end # # 3 CYS HB2 23 PHE HA 5.7 &rst ixpk= 0, nxpk= 0, iat= 42, 362, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 3 CYS HB2 24 GLU- HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 42, 382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HB3 5 ILE HB 5.9 &rst ixpk= 0, nxpk= 0, iat= 43, 63, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HB3 5 ILE QD1 6.93 &rst ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 72, 73, 74, &end # # 3 CYS HB3 23 PHE HA 5.5 &rst ixpk= 0, nxpk= 0, iat= 43, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 CYS HB3 24 GLU- HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 43, 382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS QB 23 PHE HA 5.27 &rst ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 42, 43, &end # # 3 CYS QB 24 GLU- QB 7.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 42, 43, igr2= 384, 385, &end # # 4 ALA HA 21 THR HB 5.34 &rst ixpk= 0, nxpk= 0, iat= 51, 331, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 4 ALA HA 21 THR QG2 5.1 &rst ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2= 333, 334, 335, &end # # 4 ALA HA 23 PHE HE1 5.9 &rst ixpk= 0, nxpk= 0, iat= 51, 370, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 4 ALA QB 21 THR HA 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 53, 54, 55, &end # # 4 ALA QB 21 THR HB 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 53, 54, 55, &end # # 4 ALA QB 21 THR QG2 5.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1= 53, 54, 55, igr2= 333, 334, 335, &end # # 4 ALA QB 23 PHE HE1 6.37 &rst ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15, igr1= 53, 54, 55, &end # # 4 ALA QB 23 PHE HZ 6.06 &rst ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 53, 54, 55, &end # # 5 ILE HA 5 ILE HB 3.2 &rst ixpk= 0, nxpk= 0, iat= 61, 63, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 5 ILE HA 5 ILE QD1 5.13 &rst ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 72, 73, 74, &end # # 5 ILE HA 23 PHE HD1 5.9 &rst ixpk= 0, nxpk= 0, iat= 61, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 5 ILE HB 6 SER HA 5.65 &rst ixpk= 0, nxpk= 0, iat= 63, 80, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 5 ILE HB 23 PHE HD1 5.87 &rst ixpk= 0, nxpk= 0, iat= 63, 368, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end # # 5 ILE HB 23 PHE HD2 5.9 &rst ixpk= 0, nxpk= 0, iat= 63, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 5 ILE HB 31 TYR QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 502, 503, &end # # 5 ILE QG2 6 SER HA 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 65, 66, 67, &end # # 5 ILE QG2 6 SER QB 7.59 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.23, r4=10.73, igr1= 65, 66, 67, igr2= 82, 83, &end # # 5 ILE QG1 6 SER HA 6.22 &rst ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr1= 69, 70, &end # # 5 ILE QG1 6 SER QB 6.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89, igr1= 69, 70, igr2= 82, 83, &end # # 5 ILE QG1 23 PHE HD1 6.31 &rst ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr1= 69, 70, &end # # 5 ILE QD1 23 PHE QB 6.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, igr1= 72, 73, 74, igr2= 364, 365, &end # # 5 ILE QD1 23 PHE HD1 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 72, 73, 74, &end # # 5 ILE QD1 23 PHE HD2 5.7 &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 72, 73, 74, &end # # 5 ILE QD1 27 LEU HA 6.65 &rst ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49, igr1= 72, 73, 74, &end # # 5 ILE QD1 28 LEU HA 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 72, 73, 74, &end # # 6 SER HA 7 GLY QA 4.48 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 91, 92, &end # # 6 SER HA 8 LYS+ QD 6.78 &rst ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 106, 107, &end # # 6 SER QB 8 LYS+ QB 7.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 82, 83, igr2= 100, 101, &end # # 6 SER QB 8 LYS+ QD 7.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 82, 83, igr2= 106, 107, &end # # 7 GLY HA1 8 LYS+ QD 6.78 &rst ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 106, 107, &end # # 7 GLY HA1 23 PHE HB2 7.65 &rst ixpk= 0, nxpk= 0, iat= 91, 364, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15, &end # # 7 GLY HA1 23 PHE HB3 7.65 &rst ixpk= 0, nxpk= 0, iat= 91, 365, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15, &end # # 7 GLY HA1 27 LEU QQD 8.03 &rst ixpk= 0, nxpk= 0, iat= 91, 434, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, &end # # 7 GLY HA2 8 LYS+ QD 6.78 &rst ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 106, 107, &end # # 7 GLY HA2 23 PHE HB3 7.65 &rst ixpk= 0, nxpk= 0, iat= 92, 365, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15, &end # # 7 GLY HA2 27 LEU QQD 8.03 &rst ixpk= 0, nxpk= 0, iat= 92, 434, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, &end # # 7 GLY QA 23 PHE QB 6.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97, igr1= 91, 92, igr2= 364, 365, &end # # 8 LYS+ HA 8 LYS+ HB2 3.42 &rst ixpk= 0, nxpk= 0, iat= 98, 100, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 8 LYS+ HA 8 LYS+ HB3 3.42 &rst ixpk= 0, nxpk= 0, iat= 98, 101, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 8 LYS+ HA 8 LYS+ QD 5.26 &rst ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 106, 107, &end # # 8 LYS+ HA 8 LYS+ QE 6.78 &rst ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 109, 110, &end # # 8 LYS+ HB2 8 LYS+ QE 6.78 &rst ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 109, 110, &end # # 8 LYS+ HB3 8 LYS+ QE 6.78 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 109, 110, &end # # 9 VAL QQG 10 PRO QD 7.63 &rst ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, igr2= 135, 136, &end # # 10 PRO HA 24 GLU- QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 384, 385, &end # # 11 ARG+ HA 11 ARG+ QD 5.72 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr2= 158, 159, &end # # 12 ARG+ HA 12 ARG+ QD 6.28 &rst ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2= 182, 183, &end # # 12 ARG+ HA 13 PRO HD2 3.64 &rst ixpk= 0, nxpk= 0, iat= 174, 197, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 12 ARG+ HA 13 PRO HD3 3.64 &rst ixpk= 0, nxpk= 0, iat= 174, 198, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 12 ARG+ HA 13 PRO QD 3.25 &rst ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 197, 198, &end # # 12 ARG+ HA 14 VAL QQG 8.02 &rst ixpk= 0, nxpk= 0, iat= 174, 213, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, &end # # 13 PRO HA 14 VAL QQG 8.02 &rst ixpk= 0, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, &end # # 14 VAL HA 14 VAL HB 3.08 &rst ixpk= 0, nxpk= 0, iat= 212, 214, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 14 VAL HA 15 LEU QQD 7.57 &rst ixpk= 0, nxpk= 0, iat= 212, 232, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, &end # # 14 VAL HA 52 GLU- HA 3.27 &rst ixpk= 0, nxpk= 0, iat= 212, 822, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 14 VAL HB 28 LEU QQD 8.5 &rst ixpk= 0, nxpk= 0, iat= 214, 453, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, &end # # 14 VAL HB 52 GLU- HA 4.63 &rst ixpk= 0, nxpk= 0, iat= 214, 822, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 14 VAL QG1 28 LEU QD1 11.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48, igr1= 216, 217, 218, igr2= 456, 457, 458, &end # # 14 VAL QG1 28 LEU QD2 11.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48, igr1= 216, 217, 218, igr2= 460, 461, 462, &end # # 14 VAL QG2 28 LEU QD1 11.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48, igr1= 220, 221, 222, igr2= 456, 457, 458, &end # # 14 VAL QG2 28 LEU QD2 11.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48, igr1= 220, 221, 222, igr2= 460, 461, 462, &end # # 14 VAL QQG 23 PHE QB 8.19 &rst ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69, igr2= 364, 365, &end # # 14 VAL QQG 23 PHE HD1 8.49 &rst ixpk= 0, nxpk= 0, iat= 213, 368, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, &end # # 14 VAL QQG 23 PHE HD2 8.49 &rst ixpk= 0, nxpk= 0, iat= 213, 376, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, &end # # 14 VAL QQG 25 LYS+ HA 5.33 &rst ixpk= 0, nxpk= 0, iat= 213, 397, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 14 VAL QQG 28 LEU QQD 8.66 &rst ixpk= 0, nxpk= 0, iat= 213, 453, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16, &end # # 15 LEU HA 15 LEU HG 3.95 &rst ixpk= 0, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 15 LEU HA 22 ILE HA 3.23 &rst ixpk= 0, nxpk= 0, iat= 228, 343, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 15 LEU HA 22 ILE HB 5.9 &rst ixpk= 0, nxpk= 0, iat= 228, 345, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 15 LEU HA 23 PHE HD1 5.9 &rst ixpk= 0, nxpk= 0, iat= 228, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 15 LEU HA 23 PHE HD2 5.9 &rst ixpk= 0, nxpk= 0, iat= 228, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 15 LEU HA 51 VAL HB 5.9 &rst ixpk= 0, nxpk= 0, iat= 228, 808, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 15 LEU HA 51 VAL QQG 7.62 &rst ixpk= 0, nxpk= 0, iat= 228, 807, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12, &end # # 15 LEU HB2 22 ILE HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 230, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 15 LEU HB2 51 VAL QG1 7.72 &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, igr2= 810, 811, 812, &end # # 15 LEU HB2 51 VAL QG2 7.72 &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, igr2= 814, 815, 816, &end # # 15 LEU HB3 22 ILE HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 231, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 15 LEU HB3 51 VAL QG1 7.72 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, igr2= 810, 811, 812, &end # # 15 LEU HB3 51 VAL QG2 7.72 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, igr2= 814, 815, 816, &end # # 15 LEU QB 51 VAL HB 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 230, 231, &end # # 15 LEU QB 51 VAL QQG 6.59 &rst ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr1= 230, 231, &end # # 15 LEU QQD 21 THR HA 8.5 &rst ixpk= 0, nxpk= 0, iat= 232, 329, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, &end # # 15 LEU QQD 51 VAL HB 6.27 &rst ixpk= 0, nxpk= 0, iat= 232, 808, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end # # 15 LEU QQD 51 VAL HB 6.27 &rst ixpk= 0, nxpk= 0, iat= 232, 808, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end # # 16 SER HA 23 PHE HZ 5.9 &rst ixpk= 0, nxpk= 0, iat= 247, 372, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 16 SER HA 23 PHE HE2 5.9 &rst ixpk= 0, nxpk= 0, iat= 247, 374, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 16 SER HA 49 GLU- QG 6.78 &rst ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 777, 778, &end # # 16 SER HA 50 ILE HA 4.24 &rst ixpk= 0, nxpk= 0, iat= 247, 787, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 16 SER HB2 23 PHE HZ 4.6 &rst ixpk= 0, nxpk= 0, iat= 249, 372, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 16 SER HB2 23 PHE HE2 4.82 &rst ixpk= 0, nxpk= 0, iat= 249, 374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 16 SER HB2 50 ILE QD1 6.18 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92, igr2= 798, 799, 800, &end # # 16 SER HB3 23 PHE HZ 4.6 &rst ixpk= 0, nxpk= 0, iat= 250, 372, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 16 SER HB3 23 PHE HE2 4.82 &rst ixpk= 0, nxpk= 0, iat= 250, 374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 16 SER HB3 50 ILE QD1 6.28 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04, igr2= 798, 799, 800, &end # # 16 SER QB 23 PHE HZ 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 249, 250, &end # # 16 SER QB 23 PHE HE2 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 249, 250, &end # # 16 SER QB 28 LEU QQD 9.37 &rst ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02, igr1= 249, 250, &end # # 16 SER QB 28 LEU QQD 9.37 &rst ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02, igr1= 249, 250, &end # # 16 SER QB 50 ILE QD1 5.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 249, 250, igr2= 798, 799, 800, &end # # 18 LYS+ HA 18 LYS+ QE 5.75 &rst ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2= 283, 284, &end # # 21 THR HA 22 ILE HB 5.06 &rst ixpk= 0, nxpk= 0, iat= 329, 345, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 21 THR HA 22 ILE QG2 5.97 &rst ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr2= 347, 348, 349, &end # # 21 THR HB 23 PHE HE1 5.34 &rst ixpk= 0, nxpk= 0, iat= 331, 370, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 21 THR QG2 23 PHE HE1 5.66 &rst ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1= 333, 334, 335, &end # # 21 THR QG2 23 PHE HZ 5.69 &rst ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 333, 334, 335, &end # # 22 ILE HA 22 ILE QD1 5.16 &rst ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2= 354, 355, 356, &end # # 22 ILE HA 23 PHE HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 343, 362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 ILE HA 23 PHE HD1 5.9 &rst ixpk= 0, nxpk= 0, iat= 343, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 22 ILE HA 23 PHE HD2 5.9 &rst ixpk= 0, nxpk= 0, iat= 343, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 23 PHE HA 23 PHE HD1 5.59 &rst ixpk= 0, nxpk= 0, iat= 362, 368, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end # # 23 PHE HA 23 PHE HD2 5.71 &rst ixpk= 0, nxpk= 0, iat= 362, 376, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end # # 23 PHE HB2 28 LEU QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 451, 452, &end # # 23 PHE HB2 28 LEU QD1 6.8 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2= 456, 457, 458, &end # # 23 PHE HB2 28 LEU QD2 6.8 &rst ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2= 460, 461, 462, &end # # 23 PHE HB3 28 LEU QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 451, 452, &end # # 23 PHE HB3 28 LEU QD1 6.8 &rst ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2= 456, 457, 458, &end # # 23 PHE HB3 28 LEU QD2 6.8 &rst ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr2= 460, 461, 462, &end # # 23 PHE QB 28 LEU HA 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 364, 365, &end # # 23 PHE QB 28 LEU QQD 5.85 &rst ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1= 364, 365, &end # # 23 PHE QB 28 LEU QQD 5.85 &rst ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1= 364, 365, &end # # 23 PHE QR 28 LEU QD1 9.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.78, r4=15.28, igr1= 368, 376, 370, 374, 372, igr2= 456, 457, 458, &end # # 23 PHE QR 28 LEU QD2 9.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.78, r4=15.28, igr1= 368, 376, 370, 374, 372, igr2= 460, 461, 462, &end # # 23 PHE HD1 28 LEU HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 368, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 23 PHE HD1 28 LEU QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 451, 452, &end # # 23 PHE HD1 28 LEU QQD 8.03 &rst ixpk= 0, nxpk= 0, iat= 368, 453, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53, &end # # 23 PHE HD2 28 LEU HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 376, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 23 PHE HD2 28 LEU QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 451, 452, &end # # 24 GLU- QB 27 LEU QB 7.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 384, 385, igr2= 432, 433, &end # # 24 GLU- QB 27 LEU HG 6.59 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr1= 384, 385, &end # # 24 GLU- QB 27 LEU QD1 7.8 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr1= 384, 385, igr2= 437, 438, 439, &end # # 24 GLU- QB 27 LEU QD2 7.8 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr1= 384, 385, igr2= 441, 442, 443, &end # # 24 GLU- QB 27 LEU QQD 7.4 &rst ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr1= 384, 385, &end # # 25 LYS+ HA 52 GLU- QB 6.06 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr2= 824, 825, &end # # 25 LYS+ HA 52 GLU- QG 6.31 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr2= 827, 828, &end # # 26 SER QB 27 LEU HG 5.51 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr1= 421, 422, &end # # 28 LEU HA 28 LEU QD1 4.85 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2= 456, 457, 458, &end # # 28 LEU HA 28 LEU QD2 4.85 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2= 460, 461, 462, &end # # 28 LEU HA 28 LEU QQD 4.28 &rst ixpk= 0, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 28 LEU QB 29 GLU- QG 7.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14, igr1= 451, 452, igr2= 473, 474, &end # # 28 LEU HG 32 VAL HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 454, 521, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 28 LEU QQD 29 GLU- HA 5.68 &rst ixpk= 0, nxpk= 0, iat= 453, 468, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end # # 28 LEU QQD 29 GLU- QB 7.73 &rst ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18, igr2= 470, 471, &end # # 28 LEU QQD 29 GLU- QG 7.58 &rst ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01, igr2= 473, 474, &end # # 28 LEU QQD 31 TYR QB 8.6 &rst ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, igr2= 502, 503, &end # # 28 LEU QQD 32 VAL HA 8.5 &rst ixpk= 0, nxpk= 0, iat= 453, 521, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, &end # # 28 LEU QQD 32 VAL HB 8.13 &rst ixpk= 0, nxpk= 0, iat= 453, 523, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, &end # # 28 LEU QQD 38 ASP- HA 7.16 &rst ixpk= 0, nxpk= 0, iat= 453, 606, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, &end # # 28 LEU QQD 39 PRO QB 8.91 &rst ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, igr2= 623, 624, &end # # 28 LEU QQD 39 PRO QG 8.91 &rst ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, igr2= 620, 621, &end # # 28 LEU QQD 39 PRO QD 8.78 &rst ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36, igr2= 617, 618, &end # # 28 LEU QQD 50 ILE QG2 7.32 &rst ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29, igr2= 791, 792, 793, &end # # 30 GLN QB 32 VAL QQG 8.9 &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 485, 486, &end # # 31 TYR HA 31 TYR QB 3.12 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2= 502, 503, &end # # 31 TYR HA 31 TYR HD1 4.88 &rst ixpk= 0, nxpk= 0, iat= 500, 506, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 31 TYR HA 31 TYR HD2 5.06 &rst ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 31 TYR HA 32 VAL QQG 7.68 &rst ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, &end # # 31 TYR HA 35 THR QG2 5.47 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2= 575, 576, 577, &end # # 31 TYR QB 32 VAL HA 6.28 &rst ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 502, 503, &end # # 31 TYR QD 39 PRO HB2 8.04 &rst ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52, igr1= 506, 515, &end # # 31 TYR QD 39 PRO HB3 8.04 &rst ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52, igr1= 506, 515, &end # # 31 TYR QD 39 PRO QG 7.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57, igr1= 506, 515, igr2= 620, 621, &end # # 31 TYR QD 39 PRO QD 8.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.24, r4=11.74, igr1= 506, 515, igr2= 617, 618, &end # # 31 TYR QE 37 ASN HA 8.03 &rst ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr1= 508, 513, &end # # 31 TYR QE 37 ASN HB2 8.03 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr1= 508, 513, &end # # 31 TYR QE 37 ASN HB3 8.03 &rst ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr1= 508, 513, &end # # 31 TYR QE 37 ASN QB 7.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.92, r4=10.42, igr1= 508, 513, igr2= 594, 595, &end # # 31 TYR QE 39 PRO HB2 8.03 &rst ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr1= 508, 513, &end # # 31 TYR QE 39 PRO HB3 8.03 &rst ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, igr1= 508, 513, &end # # 31 TYR QR 38 ASP- HA 8.39 &rst ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07, igr1= 506, 515, 508, 513, &end # # 31 TYR HD1 32 VAL HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 31 TYR HD1 35 THR QG2 6.93 &rst ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 575, 576, 577, &end # # 31 TYR HD1 39 PRO HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 506, 626, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 31 TYR HE1 35 THR QG2 6.77 &rst ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr2= 575, 576, 577, &end # # 31 TYR HE1 39 PRO HA 4.63 &rst ixpk= 0, nxpk= 0, iat= 508, 626, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 31 TYR HE1 42 ASN QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 667, 668, &end # # 31 TYR HE2 35 THR QG2 6.93 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 575, 576, 577, &end # # 31 TYR HE2 39 PRO HA 4.71 &rst ixpk= 0, nxpk= 0, iat= 513, 626, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 31 TYR HE2 42 ASN QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 667, 668, &end # # 31 TYR HD2 32 VAL HA 6 &rst ixpk= 0, nxpk= 0, iat= 515, 521, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 31 TYR HD2 35 THR QG2 6.93 &rst ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2= 575, 576, 577, &end # # 31 TYR HD2 39 PRO HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 515, 626, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 32 VAL HA 36 GLY HA1 4.94 &rst ixpk= 0, nxpk= 0, iat= 521, 585, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 32 VAL HA 36 GLY HA2 4.94 &rst ixpk= 0, nxpk= 0, iat= 521, 586, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 32 VAL HA 36 GLY QA 4.51 &rst ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 585, 586, &end # # 32 VAL HB 46 SER HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 523, 727, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 32 VAL HB 46 SER HB2 5.06 &rst ixpk= 0, nxpk= 0, iat= 523, 729, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 32 VAL HB 46 SER HB3 5.06 &rst ixpk= 0, nxpk= 0, iat= 523, 730, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 32 VAL HB 46 SER QB 4.89 &rst ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2= 729, 730, &end # # 32 VAL QQG 33 LYS+ HA 7.03 &rst ixpk= 0, nxpk= 0, iat= 522, 537, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, &end # # 32 VAL QQG 36 GLY QA 8.74 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31, igr2= 585, 586, &end # # 32 VAL QQG 39 PRO QD 8.9 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr2= 617, 618, &end # # 32 VAL QQG 46 SER HA 6.04 &rst ixpk= 0, nxpk= 0, iat= 522, 727, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end # # 32 VAL QQG 46 SER HB2 8.02 &rst ixpk= 0, nxpk= 0, iat= 522, 729, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, &end # # 32 VAL QQG 46 SER HB3 8.02 &rst ixpk= 0, nxpk= 0, iat= 522, 730, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, &end # # 34 ASP- HB2 35 THR QG2 5.25 &rst ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 575, 576, 577, &end # # 34 ASP- HB3 35 THR QG2 5.25 &rst ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2= 575, 576, 577, &end # # 34 ASP- QB 35 THR HB 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 561, 562, &end # # 34 ASP- QB 35 THR QG2 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 561, 562, igr2= 575, 576, 577, &end # # 34 ASP- QB 35 THR QG2 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 561, 562, igr2= 575, 576, 577, &end # # 35 THR HA 35 THR HB 3.08 &rst ixpk= 0, nxpk= 0, iat= 571, 573, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 35 THR HA 35 THR QG2 4.01 &rst ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 575, 576, 577, &end # # 35 THR HB 37 ASN HB2 5.9 &rst ixpk= 0, nxpk= 0, iat= 573, 594, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 35 THR HB 37 ASN HB3 5.9 &rst ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 35 THR HB 37 ASN QB 5.48 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 594, 595, &end # # 35 THR QG2 37 ASN HB2 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 575, 576, 577, &end # # 35 THR QG2 37 ASN HB3 6.93 &rst ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 575, 576, 577, &end # # 35 THR QG2 37 ASN QB 6.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49, igr1= 575, 576, 577, igr2= 594, 595, &end # # 36 GLY HA1 37 ASN HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 585, 592, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 36 GLY HA1 45 LEU HG 4.41 &rst ixpk= 0, nxpk= 0, iat= 585, 713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 36 GLY HA2 37 ASN HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 586, 592, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 36 GLY HA2 45 LEU HG 4.41 &rst ixpk= 0, nxpk= 0, iat= 586, 713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 36 GLY QA 37 ASN HA 5.47 &rst ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 585, 586, &end # # 36 GLY QA 45 LEU HG 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 585, 586, &end # # 37 ASN HA 42 ASN HA 3.76 &rst ixpk= 0, nxpk= 0, iat= 592, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 37 ASN HA 44 PRO HA 3.02 &rst ixpk= 0, nxpk= 0, iat= 592, 702, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 37 ASN HA 44 PRO QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 699, 700, &end # # 37 ASN HA 45 LEU QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 710, 711, &end # # 37 ASN HB2 42 ASN HA 3.76 &rst ixpk= 0, nxpk= 0, iat= 594, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 37 ASN HB2 44 PRO HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 594, 702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 37 ASN HB3 42 ASN HA 3.76 &rst ixpk= 0, nxpk= 0, iat= 595, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 37 ASN HB3 44 PRO HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 595, 702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 38 ASP- HA 39 PRO HB2 5.9 &rst ixpk= 0, nxpk= 0, iat= 606, 623, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 38 ASP- HA 39 PRO HB3 5.9 &rst ixpk= 0, nxpk= 0, iat= 606, 624, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 38 ASP- HA 39 PRO QB 5.72 &rst ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr2= 623, 624, &end # # 38 ASP- QB 46 SER HA 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 608, 609, &end # # 38 ASP- QB 46 SER HB2 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 608, 609, &end # # 38 ASP- QB 46 SER HB3 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 608, 609, &end # # 38 ASP- QB 46 SER QB 6.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58, igr1= 608, 609, igr2= 729, 730, &end # # 39 PRO QB 40 ILE HB 5.38 &rst ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 623, 624, &end # # 41 THR HB 43 GLU- QG 6.17 &rst ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 684, 685, &end # # 42 ASN HA 42 ASN HB2 3.17 &rst ixpk= 0, nxpk= 0, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 42 ASN HA 42 ASN HB3 3.17 &rst ixpk= 0, nxpk= 0, iat= 665, 668, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 43 GLU- HB2 44 PRO HD2 7.06 &rst ixpk= 0, nxpk= 0, iat= 681, 693, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end # # 43 GLU- HB2 44 PRO HD3 7.06 &rst ixpk= 0, nxpk= 0, iat= 681, 694, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end # # 43 GLU- HB3 44 PRO HD2 7.06 &rst ixpk= 0, nxpk= 0, iat= 682, 693, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end # # 43 GLU- HB3 44 PRO HD3 7.06 &rst ixpk= 0, nxpk= 0, iat= 682, 694, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, &end # # 43 GLU- QB 44 PRO QD 6.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, igr1= 681, 682, igr2= 693, 694, &end # # 45 LEU HA 45 LEU HG 3.17 &rst ixpk= 0, nxpk= 0, iat= 708, 713, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 45 LEU QB 46 SER HA 5.88 &rst ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1= 710, 711, &end # # 45 LEU HG 48 GLU- QB 5.35 &rst ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2= 759, 760, &end # # 46 SER HA 46 SER HB2 3.08 &rst ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 46 SER HA 46 SER HB3 3.08 &rst ixpk= 0, nxpk= 0, iat= 727, 730, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 47 ILE HB 47 ILE QD1 3.83 &rst ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 749, 750, 751, &end # # 14 VAL HN 23 PHE O 2.3 &rst ixpk= 0, nxpk= 0, iat= 210, 378, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 15 LEU HN 51 VAL O 2.3 &rst ixpk= 0, nxpk= 0, iat= 226, 818, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 23 PHE HN 14 VAL O 2.3 &rst ixpk= 0, nxpk= 0, iat= 360, 224, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 28 LEU HN 24 GLU- O 2.3 &rst ixpk= 0, nxpk= 0, iat= 447, 393, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 29 GLU- HN 25 LYS+ O 2.3 &rst ixpk= 0, nxpk= 0, iat= 466, 415, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 30 GLN HN 26 SER O 2.3 &rst ixpk= 0, nxpk= 0, iat= 481, 426, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 31 TYR HN 27 LEU O 2.3 &rst ixpk= 0, nxpk= 0, iat= 498, 445, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 32 VAL HN 28 LEU O 2.3 &rst ixpk= 0, nxpk= 0, iat= 519, 464, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 33 LYS+ HN 29 GLU- O 2.3 &rst ixpk= 0, nxpk= 0, iat= 535, 479, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 34 ASP- HN 30 GLN O 2.3 &rst ixpk= 0, nxpk= 0, iat= 557, 496, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 35 THR HN 31 TYR O 2.3 &rst ixpk= 0, nxpk= 0, iat= 569, 517, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 38 ASP- HN 43 GLU- O 2.3 &rst ixpk= 0, nxpk= 0, iat= 604, 690, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 45 LEU HN 36 GLY O 2.3 &rst ixpk= 0, nxpk= 0, iat= 706, 588, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 49 GLU- HN 46 SER O 2.3 &rst ixpk= 0, nxpk= 0, iat= 770, 734, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 50 ILE HN 47 ILE O 2.3 &rst ixpk= 0, nxpk= 0, iat= 785, 753, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 51 VAL HN 15 LEU O 2.3 &rst ixpk= 0, nxpk= 0, iat= 804, 243, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 53 ILE HN 13 PRO O 2.3 &rst ixpk= 0, nxpk= 0, iat= 835, 208, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end # # 3 CYS HA 3 CYS HG 4.35 &rst ixpk= 0, nxpk= 0, iat= 40, 45, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 3 CYS HB2 3 CYS HG 6.78 &rst ixpk= 0, nxpk= 0, iat= 42, 45, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end # # 3 CYS HB3 3 CYS HG 6.78 &rst ixpk= 0, nxpk= 0, iat= 43, 45, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end # # 3 CYS HG 5 ILE HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 45, 59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HG 6 SER HN 5.47 &rst ixpk= 0, nxpk= 0, iat= 45, 78, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 3 CYS HG 6 SER HA 5.9 &rst ixpk= 0, nxpk= 0, iat= 45, 80, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HG 7 GLY HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 45, 89, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 3 CYS HG 8 LYS+ HN 5.9 &rst ixpk= 0, nxpk= 0, iat= 45, 96, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 41 THR HG1 38 ASP- HB3 3.4 &rst ixpk= 0, nxpk= 0, iat= 659, 609, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 41 THR HN 41 THR HG1 5.9 &rst ixpk= 0, nxpk= 0, iat= 649, 659, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 41 THR HA 41 THR HG1 3.27 &rst ixpk= 0, nxpk= 0, iat= 651, 659, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 41 THR HG1 43 GLU- HN 4.78 &rst ixpk= 0, nxpk= 0, iat= 659, 677, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 41 THR HG1 43 GLU- QB 5.91 &rst ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr2= 681, 682, &end # # 41 THR HG1 43 GLU- HG2 6 &rst ixpk= 0, nxpk= 0, iat= 659, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 41 THR HG1 43 GLU- HG3 5.85 &rst ixpk= 0, nxpk= 0, iat= 659, 685, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end # # 14 VAL N 23 PHE O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 209, 378, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, rk2=32.0, rk3=32.0, ir6=1, ialtd=0, &end # # 15 LEU N 51 VAL O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 225, 818, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 23 PHE N 14 VAL O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 359, 224, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 28 LEU N 24 GLU- O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 446, 393, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 29 GLU- N 25 LYS+ O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 465, 415, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 30 GLN N 26 SER O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 480, 426, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 31 TYR N 27 LEU O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 497, 445, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 32 VAL N 28 LEU O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 518, 464, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 33 LYS+ N 29 GLU- O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 534, 479, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 34 ASP- N 30 GLN O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 556, 496, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 35 THR N 31 TYR O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 568, 517, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 38 ASP- N 43 GLU- O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 603, 690, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 49 GLU- N 46 SER O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 769, 734, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 50 ILE N 47 ILE O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 784, 753, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 51 VAL N 15 LEU O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 803, 243, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end # # 53 ILE N 13 PRO O 2.8 20 &rst ixpk= 0, nxpk= 0, iat= 834, 208, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, &end
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