NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
604031 | 5jyh | 30089 | cing | 1-original | 4 | AMBER | distance | NOE | simple |
# 5 PHE HB2 35 CYX HB2 3.66 &rst ixpk= 0, nxpk= 0, iat= 71, 512, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 21 CYX HA 23 ALA QB 4.56 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 342, 343, 344, &end # # 21 CYX HA 26 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 385, 386, &end # # 26 LYS QD 39 VAL HA 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 385, 386, &end # # 8 PHE HE 9 ALA HN 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 114, 118, &end # # 4 GLN HE22 13 VAL QG2 4.93 &rst ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2= 186, 187, 188, &end # # 7 CYX HA 13 VAL HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 96, 176, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 11 VAL HA 30 CYX QB 4.16 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 442, 443, &end # # 11 VAL QG1 13 VAL QG2 3.12 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 154, 155, 156, igr2= 186, 187, 188, &end # # 11 VAL QG1 13 VAL HA 3.27 &rst ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 154, 155, 156, &end # # 32 GLY HA3 33 THR QG2 4.04 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 478, 479, 480, &end # # 26 LYS QB 37 CYX HB2 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1= 379, 380, &end # # 26 LYS QD 37 CYX HB2 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1= 385, 386, &end # # 37 CYX HB2 38 GLY HN 4.57 &rst ixpk= 0, nxpk= 0, iat= 544, 550, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 26 LYS QB 37 CYX HA 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 379, 380, &end # # 26 LYS QD 37 CYX HA 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 385, 386, &end # # 36 LYS HA 37 CYX HA 4.83 &rst ixpk= 0, nxpk= 0, iat= 520, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 28 GLY HA2 37 CYX HA 3.42 &rst ixpk= 0, nxpk= 0, iat= 414, 542, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 28 GLY HA3 37 CYX HA 4.15 &rst ixpk= 0, nxpk= 0, iat= 415, 542, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 29 ILE HN 37 CYX HA 3.97 &rst ixpk= 0, nxpk= 0, iat= 419, 542, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 21 CYX HB3 37 CYX HA 4.09 &rst ixpk= 0, nxpk= 0, iat= 311, 542, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 37 CYX HA 38 GLY HA3 4.60 &rst ixpk= 0, nxpk= 0, iat= 542, 553, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 29 ILE HA 30 CYX HN 2.50 &rst ixpk= 0, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end # # 29 ILE QD1 30 CYX HN 3.20 &rst ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1= 432, 433, 434, &end # # 29 ILE HN 37 CYX HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 419, 540, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 44 LEU QB 44 LEU HG 2.40 &rst ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, igr1= 642, 643, &end # # 26 LYS QB 37 CYX HB3 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1= 379, 380, &end # # 7 CYX HA 12 ASP HA 3.46 &rst ixpk= 0, nxpk= 0, iat= 96, 166, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 7 CYX HA 8 PHE HA 4.79 &rst ixpk= 0, nxpk= 0, iat= 96, 106, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 4 GLN HN 4 GLN HG2 4.01 &rst ixpk= 0, nxpk= 0, iat= 50, 57, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 4 GLN HN 4 GLN HG3 4.50 &rst ixpk= 0, nxpk= 0, iat= 50, 58, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 GLN HN 4 GLN HB3 3.95 &rst ixpk= 0, nxpk= 0, iat= 50, 55, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 7 CYX HA 8 PHE HN 2.70 &rst ixpk= 0, nxpk= 0, iat= 96, 104, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 8 PHE HN 11 VAL HB 4.11 &rst ixpk= 0, nxpk= 0, iat= 104, 152, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 8 PHE HN 8 PHE HB3 3.49 &rst ixpk= 0, nxpk= 0, iat= 104, 109, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 8 PHE HN 9 ALA HN 4.53 &rst ixpk= 0, nxpk= 0, iat= 104, 124, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 8 PHE HN 12 ASP HA 4.11 &rst ixpk= 0, nxpk= 0, iat= 104, 166, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 8 PHE HN 8 PHE HD 5.49 &rst ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 112, 120, &end # # 8 PHE HN 8 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 112, 120, &end # # 8 PHE HN 13 VAL QG2 3.47 &rst ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr2= 186, 187, 188, &end # # 8 PHE HN 11 VAL QG2 5.39 &rst ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2= 158, 159, 160, &end # # 8 PHE HN 13 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 182, 183, 184, &end # # 8 PHE HN 10 ASN HN 4.48 &rst ixpk= 0, nxpk= 0, iat= 104, 134, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 7 CYX HB3 8 PHE HN 4.08 &rst ixpk= 0, nxpk= 0, iat= 99, 104, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 8 PHE HN 11 VAL HN 3.44 &rst ixpk= 0, nxpk= 0, iat= 104, 148, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 34 LYS HB2 34 LYS QE 4.85 &rst ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 499, 500, &end # # 19 ARG HB3 19 ARG HE 3.99 &rst ixpk= 0, nxpk= 0, iat= 270, 278, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 19 ARG QG 19 ARG HE 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 272, 273, &end # # 19 ARG HB2 19 ARG HE 3.99 &rst ixpk= 0, nxpk= 0, iat= 269, 278, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 13 VAL HN 13 VAL HB 3.69 &rst ixpk= 0, nxpk= 0, iat= 176, 180, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 12 ASP HA 13 VAL HN 3.40 &rst ixpk= 0, nxpk= 0, iat= 166, 176, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 13 VAL HN 13 VAL QG2 2.79 &rst ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, igr2= 186, 187, 188, &end # # 2 LYS HB2 2 LYS QD 3.14 &rst ixpk= 0, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 24, 25, &end # # 17 CYX HB2 18 LYS HN 4.45 &rst ixpk= 0, nxpk= 0, iat= 237, 243, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 34 LYS HB3 35 CYX HN 3.94 &rst ixpk= 0, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 34 LYS HA 35 CYX HN 2.74 &rst ixpk= 0, nxpk= 0, iat= 488, 508, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 35 CYX HN 36 LYS HN 4.57 &rst ixpk= 0, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 34 LYS HB2 35 CYX HN 3.63 &rst ixpk= 0, nxpk= 0, iat= 490, 508, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 35 CYX HN 35 CYX HB3 3.14 &rst ixpk= 0, nxpk= 0, iat= 508, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 5 PHE HD 35 CYX HN 4.88 &rst ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 75, 83, &end # # 35 CYX HN 35 CYX HB2 3.34 &rst ixpk= 0, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 14 LYS QB 14 LYS QE 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 196, 197, igr2= 205, 206, &end # # 14 LYS HA 14 LYS QE 4.05 &rst ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 205, 206, &end # # 13 VAL HA 13 VAL QG2 3.30 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 186, 187, 188, &end # # 8 PHE HB3 13 VAL QG2 3.44 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 186, 187, 188, &end # # 41 ILE QG2 41 ILE HG12 3.50 &rst ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 593, 594, 595, &end # # 33 THR HA 34 LYS HG2 4.67 &rst ixpk= 0, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 33 THR HA 33 THR HB 2.96 &rst ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 4 GLN HN 6 GLY HN 3.45 &rst ixpk= 0, nxpk= 0, iat= 50, 87, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 6 GLY HN 15 GLY HA3 5.32 &rst ixpk= 0, nxpk= 0, iat= 87, 217, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 5 PHE HA 6 GLY HN 3.33 &rst ixpk= 0, nxpk= 0, iat= 69, 87, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 4 GLN HG3 6 GLY HN 3.99 &rst ixpk= 0, nxpk= 0, iat= 58, 87, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 5 PHE HN 6 GLY HN 3.31 &rst ixpk= 0, nxpk= 0, iat= 67, 87, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 5 PHE HB2 6 GLY HN 4.23 &rst ixpk= 0, nxpk= 0, iat= 71, 87, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 21 CYX HB2 28 GLY HA2 4.01 &rst ixpk= 0, nxpk= 0, iat= 310, 414, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 21 CYX HB2 28 GLY HA3 3.68 &rst ixpk= 0, nxpk= 0, iat= 310, 415, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 21 CYX HB2 28 GLY HN 4.01 &rst ixpk= 0, nxpk= 0, iat= 310, 412, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 11 VAL HA 11 VAL QG1 2.83 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr2= 154, 155, 156, &end # # 11 VAL QG1 12 ASP HN 3.10 &rst ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1= 154, 155, 156, &end # # 41 ILE HN 41 ILE HB 3.62 &rst ixpk= 0, nxpk= 0, iat= 587, 591, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 34 LYS HA 34 LYS HD3 4.22 &rst ixpk= 0, nxpk= 0, iat= 488, 497, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 5 PHE HB2 34 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 71, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 LYS HA 34 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 499, 500, &end # # 34 LYS HA 34 LYS HD2 4.22 &rst ixpk= 0, nxpk= 0, iat= 488, 496, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 24 GLU HN 25 ASP HA 4.45 &rst ixpk= 0, nxpk= 0, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 25 ASP HA 41 ILE QG2 3.66 &rst ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 593, 594, 595, &end # # 41 ILE HB 42 SER HN 4.06 &rst ixpk= 0, nxpk= 0, iat= 591, 606, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 42 SER HN 42 SER HB3 3.54 &rst ixpk= 0, nxpk= 0, iat= 606, 611, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 41 ILE QD1 42 SER HN 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 600, 601, 602, &end # # 41 ILE HN 42 SER HN 3.38 &rst ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 42 SER HN 42 SER HA 2.79 &rst ixpk= 0, nxpk= 0, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end # # 40 PRO HA 42 SER HN 4.82 &rst ixpk= 0, nxpk= 0, iat= 583, 606, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 41 ILE QG2 42 SER HN 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 593, 594, 595, &end # # 35 CYX HA 36 LYS HN 2.62 &rst ixpk= 0, nxpk= 0, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end # # 36 LYS HN 37 CYX HN 4.06 &rst ixpk= 0, nxpk= 0, iat= 518, 540, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 29 ILE HB 36 LYS HN 5.35 &rst ixpk= 0, nxpk= 0, iat= 423, 518, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 35 CYX HB3 36 LYS HN 4.54 &rst ixpk= 0, nxpk= 0, iat= 513, 518, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 28 GLY HA2 36 LYS HN 4.77 &rst ixpk= 0, nxpk= 0, iat= 414, 518, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 31 HIS HN 36 LYS HN 4.48 &rst ixpk= 0, nxpk= 0, iat= 448, 518, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 36 LYS HN 36 LYS QG 4.37 &rst ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 525, 526, &end # # 29 ILE QD1 36 LYS HN 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 432, 433, 434, &end # # 30 CYX HA 36 LYS HN 4.17 &rst ixpk= 0, nxpk= 0, iat= 440, 518, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 36 LYS HN 36 LYS HB3 3.34 &rst ixpk= 0, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 29 ILE HN 36 LYS HN 3.35 &rst ixpk= 0, nxpk= 0, iat= 419, 518, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 35 CYX HB2 36 LYS HN 4.39 &rst ixpk= 0, nxpk= 0, iat= 512, 518, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 36 LYS HN 36 LYS HB2 3.34 &rst ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 3 ASN HA 3 ASN HD21 5.50 &rst ixpk= 0, nxpk= 0, iat= 38, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 THR HA 33 THR QG2 2.68 &rst ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, igr2= 478, 479, 480, &end # # 33 THR HN 33 THR QG2 3.09 &rst ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr2= 478, 479, 480, &end # # 9 ALA HN 33 THR QG2 3.21 &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 478, 479, 480, &end # # 8 PHE HA 9 ALA QB 4.70 &rst ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 128, 129, 130, &end # # 37 CYX HN 37 CYX HB2 3.36 &rst ixpk= 0, nxpk= 0, iat= 540, 544, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 8 PHE HN 13 VAL HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 104, 176, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 36 LYS HA 37 CYX HN 2.57 &rst ixpk= 0, nxpk= 0, iat= 520, 540, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, &end # # 36 LYS HB3 37 CYX HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 523, 540, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 10 ASN HN 10 ASN HD22 5.27 &rst ixpk= 0, nxpk= 0, iat= 134, 144, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 39 VAL HB 40 PRO HD2 3.29 &rst ixpk= 0, nxpk= 0, iat= 561, 574, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 19 ARG HA 22 LYS HB2 3.56 &rst ixpk= 0, nxpk= 0, iat= 267, 320, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 22 LYS HB2 23 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 320, 338, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 18 LYS QD 22 LYS HB2 4.01 &rst ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 253, 254, &end # # 26 LYS HN 26 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 388, 389, &end # # 26 LYS HN 26 LYS QB 3.83 &rst ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 379, 380, &end # # 25 ASP HA 26 LYS HN 3.03 &rst ixpk= 0, nxpk= 0, iat= 365, 375, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 26 LYS HN 27 GLU HN 4.50 &rst ixpk= 0, nxpk= 0, iat= 375, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 ASP HN 26 LYS HN 3.03 &rst ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 26 LYS HN 26 LYS QG 3.84 &rst ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 382, 383, &end # # 22 LYS HA 26 LYS HN 3.03 &rst ixpk= 0, nxpk= 0, iat= 318, 375, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 21 CYX HB3 26 LYS HN 5.08 &rst ixpk= 0, nxpk= 0, iat= 311, 375, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 42 SER HB3 43 TYR HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 611, 617, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 19 ARG HB3 19 ARG QG 2.94 &rst ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2= 272, 273, &end # # 19 ARG HB3 20 HIS HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 19 ARG HN 19 ARG HB3 3.62 &rst ixpk= 0, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 18 LYS QG 22 LYS HB2 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 250, 251, &end # # 18 LYS QG 18 LYS QD 2.99 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 250, 251, igr2= 253, 254, &end # # 32 GLY HN 33 THR HN 4.66 &rst ixpk= 0, nxpk= 0, iat= 465, 472, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 32 GLY HN 32 GLY HA2 2.94 &rst ixpk= 0, nxpk= 0, iat= 465, 467, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 31 HIS HA 32 GLY HN 3.12 &rst ixpk= 0, nxpk= 0, iat= 450, 465, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 30 CYX QB 32 GLY HN 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 442, 443, &end # # 10 ASN HA 32 GLY HN 3.52 &rst ixpk= 0, nxpk= 0, iat= 136, 465, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 43 TYR HB3 43 TYR HE 5.46 &rst ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr2= 627, 632, &end # # 41 ILE QD1 43 TYR HE 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 600, 601, 602, igr2= 627, 632, &end # # 43 TYR HN 43 TYR HE 5.09 &rst ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2= 627, 632, &end # # 43 TYR HB2 43 TYR HE 5.46 &rst ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr2= 627, 632, &end # # 42 SER HN 42 SER HB2 3.54 &rst ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 42 SER HB2 43 TYR HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 29 ILE HB 30 CYX HN 4.17 &rst ixpk= 0, nxpk= 0, iat= 423, 438, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 29 ILE HB 29 ILE QD1 3.20 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2= 432, 433, 434, &end # # 29 ILE HB 31 HIS HD2 5.24 &rst ixpk= 0, nxpk= 0, iat= 423, 461, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 29 ILE HB 29 ILE HG12 2.94 &rst ixpk= 0, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 5 PHE HE 35 CYX HB3 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 77, 81, &end # # 5 PHE HE 35 CYX HB2 5.43 &rst ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 77, 81, &end # # 5 PHE HE 34 LYS HB3 4.62 &rst ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 77, 81, &end # # 29 ILE QG2 29 ILE HG13 2.77 &rst ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, igr1= 425, 426, 427, &end # # 29 ILE HA 29 ILE QG2 3.41 &rst ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 425, 426, 427, &end # # 29 ILE QG2 29 ILE QD1 2.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr1= 425, 426, 427, igr2= 432, 433, 434, &end # # 29 ILE HN 29 ILE QG2 4.23 &rst ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 425, 426, 427, &end # # 29 ILE QG2 29 ILE HG12 3.20 &rst ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1= 425, 426, 427, &end # # 5 PHE HA 5 PHE HE 4.76 &rst ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 77, 81, &end # # 5 PHE HE 20 HIS QB 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 77, 81, igr2= 293, 294, &end # # 4 GLN HN 4 GLN HB2 3.95 &rst ixpk= 0, nxpk= 0, iat= 50, 54, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 4 GLN HB2 4 GLN HE22 5.02 &rst ixpk= 0, nxpk= 0, iat= 54, 63, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 19 ARG HA 19 ARG HE 5.12 &rst ixpk= 0, nxpk= 0, iat= 267, 278, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 19 ARG HA 19 ARG QG 3.40 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 272, 273, &end # # 19 ARG HA 22 LYS HB3 3.09 &rst ixpk= 0, nxpk= 0, iat= 267, 321, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 19 ARG HA 22 LYS HN 3.54 &rst ixpk= 0, nxpk= 0, iat= 267, 316, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 32 GLY HA2 33 THR HN 3.54 &rst ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 32 GLY HA3 33 THR HN 2.92 &rst ixpk= 0, nxpk= 0, iat= 468, 472, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end # # 16 ASP QB 18 LYS QG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 225, 226, igr2= 250, 251, &end # # 22 LYS HA 23 ALA QB 5.18 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2= 342, 343, 344, &end # # 22 LYS HN 23 ALA QB 4.38 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 342, 343, 344, &end # # 37 CYX HB2 38 GLY HA2 5.20 &rst ixpk= 0, nxpk= 0, iat= 544, 552, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 9 ALA HA 32 GLY HA2 3.68 &rst ixpk= 0, nxpk= 0, iat= 126, 467, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 34 LYS HN 34 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 499, 500, &end # # 34 LYS HN 34 LYS HB3 3.93 &rst ixpk= 0, nxpk= 0, iat= 486, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 33 THR QG2 34 LYS HN 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 478, 479, 480, &end # # 33 THR HN 34 LYS HN 2.87 &rst ixpk= 0, nxpk= 0, iat= 472, 486, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 32 GLY HA2 34 LYS HN 4.96 &rst ixpk= 0, nxpk= 0, iat= 467, 486, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 34 LYS HN 34 LYS HG2 3.95 &rst ixpk= 0, nxpk= 0, iat= 486, 493, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 34 LYS HN 34 LYS HG3 4.73 &rst ixpk= 0, nxpk= 0, iat= 486, 494, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 22 LYS HB3 22 LYS HD3 4.22 &rst ixpk= 0, nxpk= 0, iat= 321, 327, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 39 VAL QG1 40 PRO HD2 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 563, 564, 565, &end # # 39 VAL QG1 40 PRO HD3 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 563, 564, 565, &end # # 26 LYS QB 26 LYS QD 2.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, igr1= 379, 380, igr2= 385, 386, &end # # 26 LYS QD 39 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 385, 386, &end # # 26 LYS QD 37 CYX HB3 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 385, 386, &end # # 26 LYS QG 26 LYS QD 2.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr1= 382, 383, igr2= 385, 386, &end # # 26 LYS HA 26 LYS QD 3.45 &rst ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2= 385, 386, &end # # 21 CYX HB3 26 LYS QD 4.62 &rst ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 385, 386, &end # # 26 LYS QD 40 PRO HA 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 385, 386, &end # # 43 TYR HA 43 TYR HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 627, 632, &end # # 43 TYR HA 43 TYR HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 627, 632, &end # # 31 HIS HA 32 GLY HA2 4.65 &rst ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 37 CYX HA 38 GLY HN 2.66 &rst ixpk= 0, nxpk= 0, iat= 542, 550, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end # # 26 LYS QB 38 GLY HN 3.51 &rst ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr1= 379, 380, &end # # 26 LYS QD 38 GLY HN 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 385, 386, &end # # 28 GLY HA2 38 GLY HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 414, 550, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 12 ASP HN 30 CYX QB 4.91 &rst ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 442, 443, &end # # 37 CYX HB3 38 GLY HN 3.86 &rst ixpk= 0, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 27 GLU HB2 38 GLY HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 401, 550, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 27 GLU HB3 38 GLY HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 402, 550, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 38 GLY HN 38 GLY HA3 2.78 &rst ixpk= 0, nxpk= 0, iat= 550, 553, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end # # 34 LYS HA 34 LYS HG2 4.20 &rst ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 44 LEU QB 44 LEU QQD 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 642, 643, &end # # 8 PHE HA 8 PHE HE 4.73 &rst ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 114, 118, &end # # 3 ASN HA 3 ASN QB 2.92 &rst ixpk= 0, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 40, 41, &end # # 11 VAL HA 12 ASP HN 2.66 &rst ixpk= 0, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end # # 29 ILE HA 29 ILE HG13 3.62 &rst ixpk= 0, nxpk= 0, iat= 421, 430, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 29 ILE HA 29 ILE HG12 3.58 &rst ixpk= 0, nxpk= 0, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 26 LYS QB 27 GLU HN 3.09 &rst ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr1= 379, 380, &end # # 21 CYX HB3 27 GLU HN 4.67 &rst ixpk= 0, nxpk= 0, iat= 311, 397, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 26 LYS QD 27 GLU HN 3.56 &rst ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1= 385, 386, &end # # 27 GLU HN 38 GLY HN 3.58 &rst ixpk= 0, nxpk= 0, iat= 397, 550, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 27 GLU HN 28 GLY HN 4.41 &rst ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 27 GLU HN 37 CYX HB3 5.05 &rst ixpk= 0, nxpk= 0, iat= 397, 545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 27 GLU HN 39 VAL QG2 4.15 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 567, 568, 569, &end # # 26 LYS HA 27 GLU HN 2.83 &rst ixpk= 0, nxpk= 0, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 27 GLU HN 39 VAL HA 4.50 &rst ixpk= 0, nxpk= 0, iat= 397, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 GLU HN 27 GLU HB2 3.07 &rst ixpk= 0, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 27 GLU HN 40 PRO HA 3.91 &rst ixpk= 0, nxpk= 0, iat= 397, 583, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 27 GLU HN 27 GLU HB3 3.55 &rst ixpk= 0, nxpk= 0, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 8 PHE HZ 33 THR QG2 4.50 &rst ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 478, 479, 480, &end # # 8 PHE HZ 9 ALA QB 4.52 &rst ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 128, 129, 130, &end # # 19 ARG HN 19 ARG QG 5.08 &rst ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 272, 273, &end # # 20 HIS HN 20 HIS QB 4.20 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 293, 294, &end # # 25 ASP HN 25 ASP HA 2.48 &rst ixpk= 0, nxpk= 0, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98, &end # # 23 ALA QB 25 ASP HN 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 342, 343, 344, &end # # 25 ASP HN 25 ASP HB2 3.99 &rst ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 24 GLU HN 25 ASP HN 2.69 &rst ixpk= 0, nxpk= 0, iat= 348, 363, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 24 GLU HB3 25 ASP HN 4.53 &rst ixpk= 0, nxpk= 0, iat= 353, 363, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 22 LYS HA 25 ASP HN 3.48 &rst ixpk= 0, nxpk= 0, iat= 318, 363, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 25 ASP HN 25 ASP HB3 3.99 &rst ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 23 ALA HN 25 ASP HN 4.28 &rst ixpk= 0, nxpk= 0, iat= 338, 363, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 24 GLU HA 25 ASP HN 3.44 &rst ixpk= 0, nxpk= 0, iat= 350, 363, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 24 GLU HB2 25 ASP HN 4.29 &rst ixpk= 0, nxpk= 0, iat= 352, 363, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 19 ARG HA 19 ARG HD3 4.99 &rst ixpk= 0, nxpk= 0, iat= 267, 276, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 17 CYX HA 20 HIS HD2 5.02 &rst ixpk= 0, nxpk= 0, iat= 235, 302, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 5 PHE HE 20 HIS HD2 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1= 77, 81, &end # # 20 HIS HD2 21 CYX HN 3.78 &rst ixpk= 0, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 20 HIS HD2 21 CYX HA 4.22 &rst ixpk= 0, nxpk= 0, iat= 302, 308, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 20 HIS HA 20 HIS HD2 5.07 &rst ixpk= 0, nxpk= 0, iat= 291, 302, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 20 HIS HN 20 HIS HD2 4.87 &rst ixpk= 0, nxpk= 0, iat= 289, 302, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 13 VAL HN 13 VAL QG1 4.08 &rst ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2= 182, 183, 184, &end # # 13 VAL HA 13 VAL QG1 2.82 &rst ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, igr2= 182, 183, 184, &end # # 41 ILE HB 41 ILE QD1 2.73 &rst ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 600, 601, 602, &end # # 41 ILE HN 41 ILE QD1 3.79 &rst ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 600, 601, 602, &end # # 21 CYX HB3 28 GLY HA2 4.53 &rst ixpk= 0, nxpk= 0, iat= 311, 414, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 24 GLU HN 26 LYS HN 3.77 &rst ixpk= 0, nxpk= 0, iat= 348, 375, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 23 ALA QB 24 GLU HN 3.32 &rst ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1= 342, 343, 344, &end # # 21 CYX HA 24 GLU HN 4.04 &rst ixpk= 0, nxpk= 0, iat= 308, 348, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 24 GLU HN 24 GLU HG3 3.84 &rst ixpk= 0, nxpk= 0, iat= 348, 356, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 24 GLU HN 24 GLU HB2 3.37 &rst ixpk= 0, nxpk= 0, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 9 ALA HN 9 ALA HA 2.63 &rst ixpk= 0, nxpk= 0, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end # # 9 ALA HN 32 GLY HA2 4.18 &rst ixpk= 0, nxpk= 0, iat= 124, 467, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 8 PHE HA 9 ALA HN 2.66 &rst ixpk= 0, nxpk= 0, iat= 106, 124, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end # # 9 ALA HN 10 ASN HA 5.24 &rst ixpk= 0, nxpk= 0, iat= 124, 136, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 8 PHE HB2 9 ALA HN 4.37 &rst ixpk= 0, nxpk= 0, iat= 108, 124, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 9 ALA HN 11 VAL HN 4.43 &rst ixpk= 0, nxpk= 0, iat= 124, 148, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 9 ALA HN 9 ALA QB 3.03 &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 128, 129, 130, &end # # 21 CYX HN 21 CYX HB2 3.10 &rst ixpk= 0, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 19 ARG HA 21 CYX HN 4.57 &rst ixpk= 0, nxpk= 0, iat= 267, 306, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 20 HIS QB 21 CYX HN 4.34 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1= 293, 294, &end # # 18 LYS HA 21 CYX HN 3.94 &rst ixpk= 0, nxpk= 0, iat= 245, 306, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 21 CYX HN 28 GLY HA3 3.95 &rst ixpk= 0, nxpk= 0, iat= 306, 415, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 21 CYX HN 21 CYX HB3 3.78 &rst ixpk= 0, nxpk= 0, iat= 306, 311, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 21 CYX HA 25 ASP HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 308, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 CYX HA 24 GLU HB2 4.26 &rst ixpk= 0, nxpk= 0, iat= 308, 352, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 18 LYS HA 21 CYX HB2 3.88 &rst ixpk= 0, nxpk= 0, iat= 245, 310, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 18 LYS HA 18 LYS QG 3.71 &rst ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 250, 251, &end # # 18 LYS HA 28 GLY HA2 4.30 &rst ixpk= 0, nxpk= 0, iat= 245, 414, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 18 LYS HA 28 GLY HA3 3.26 &rst ixpk= 0, nxpk= 0, iat= 245, 415, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 18 LYS HA 28 GLY HN 3.37 &rst ixpk= 0, nxpk= 0, iat= 245, 412, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 18 LYS HA 18 LYS QD 3.49 &rst ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 253, 254, &end # # 18 LYS HA 18 LYS QE 4.80 &rst ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 256, 257, &end # # 8 PHE HA 9 ALA HA 4.44 &rst ixpk= 0, nxpk= 0, iat= 106, 126, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 28 GLY HA3 38 GLY HN 5.17 &rst ixpk= 0, nxpk= 0, iat= 415, 550, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 20 HIS HD2 28 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= 302, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 40 PRO HB3 41 ILE HN 4.27 &rst ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 11 VAL HB 13 VAL HN 4.05 &rst ixpk= 0, nxpk= 0, iat= 152, 176, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 40 PRO HB2 41 ILE HN 4.27 &rst ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 41 ILE HN 41 ILE HG13 3.58 &rst ixpk= 0, nxpk= 0, iat= 587, 598, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 40 PRO HA 41 ILE HN 2.51 &rst ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01, &end # # 41 ILE HN 41 ILE QG2 4.22 &rst ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 593, 594, 595, &end # # 30 CYX HN 31 HIS HN 4.86 &rst ixpk= 0, nxpk= 0, iat= 438, 448, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 31 HIS HN 35 CYX HA 4.06 &rst ixpk= 0, nxpk= 0, iat= 448, 510, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 31 HIS HN 32 GLY HN 4.00 &rst ixpk= 0, nxpk= 0, iat= 448, 465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 31 HIS HN 34 LYS HN 4.36 &rst ixpk= 0, nxpk= 0, iat= 448, 486, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 29 ILE QD1 31 HIS HN 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 432, 433, 434, &end # # 30 CYX HA 31 HIS HN 2.72 &rst ixpk= 0, nxpk= 0, iat= 440, 448, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 4 GLN HN 5 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 75, 83, &end # # 4 GLN HG3 4 GLN HE22 3.90 &rst ixpk= 0, nxpk= 0, iat= 58, 63, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 4 GLN HA 5 PHE HD 4.88 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 75, 83, &end # # 4 GLN HB3 4 GLN HE22 5.02 &rst ixpk= 0, nxpk= 0, iat= 55, 63, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 5 PHE HD 34 LYS HB3 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 75, 83, &end # # 36 LYS HA 36 LYS QG 4.02 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2= 525, 526, &end # # 31 HIS HN 36 LYS QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 525, 526, &end # # 12 ASP HN 12 ASP HB3 3.76 &rst ixpk= 0, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 29 ILE HA 29 ILE QD1 3.46 &rst ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 432, 433, 434, &end # # 29 ILE QD1 30 CYX QB 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 432, 433, 434, igr2= 442, 443, &end # # 10 ASN HN 10 ASN HB3 4.20 &rst ixpk= 0, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 43 TYR HN 43 TYR HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 627, 632, &end # # 41 ILE QD1 43 TYR HN 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 600, 601, 602, &end # # 42 SER HA 43 TYR HN 2.70 &rst ixpk= 0, nxpk= 0, iat= 608, 617, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 5 PHE HZ 20 HIS QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 293, 294, &end # # 10 ASN HB3 10 ASN HD21 3.40 &rst ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 10 ASN HN 10 ASN HD21 4.87 &rst ixpk= 0, nxpk= 0, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 10 ASN HB2 10 ASN HD21 3.40 &rst ixpk= 0, nxpk= 0, iat= 138, 143, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 10 ASN HA 10 ASN HD21 4.74 &rst ixpk= 0, nxpk= 0, iat= 136, 143, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 39 VAL HB 40 PRO HD3 3.59 &rst ixpk= 0, nxpk= 0, iat= 561, 575, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 27 GLU HN 40 PRO HD3 5.32 &rst ixpk= 0, nxpk= 0, iat= 397, 575, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 39 VAL QG2 40 PRO HD3 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 567, 568, 569, &end # # 23 ALA HA 25 ASP HN 4.04 &rst ixpk= 0, nxpk= 0, iat= 340, 363, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 30 CYX HA 35 CYX HA 3.25 &rst ixpk= 0, nxpk= 0, iat= 440, 510, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 29 ILE HA 30 CYX HA 4.49 &rst ixpk= 0, nxpk= 0, iat= 421, 440, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 29 ILE QD1 30 CYX HA 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 432, 433, 434, &end # # 7 CYX HN 7 CYX HB3 3.77 &rst ixpk= 0, nxpk= 0, iat= 94, 99, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 7 CYX HN 8 PHE HN 4.56 &rst ixpk= 0, nxpk= 0, iat= 94, 104, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 6 GLY HN 7 CYX HN 2.98 &rst ixpk= 0, nxpk= 0, iat= 87, 94, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 5 PHE HA 7 CYX HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 69, 94, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 4 GLN HG2 7 CYX HN 5.13 &rst ixpk= 0, nxpk= 0, iat= 57, 94, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 7 CYX HN 7 CYX HB2 2.95 &rst ixpk= 0, nxpk= 0, iat= 94, 98, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 7 CYX HN 30 CYX QB 5.33 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2= 442, 443, &end # # 4 GLN HG3 7 CYX HN 3.74 &rst ixpk= 0, nxpk= 0, iat= 58, 94, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 5 PHE HB3 7 CYX HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 72, 94, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 8 PHE HB2 8 PHE HD 2.70 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, igr2= 112, 120, &end # # 8 PHE HD 11 VAL HB 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 112, 120, &end # # 36 LYS HN 36 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 531, 532, &end # # 36 LYS HA 36 LYS QE 5.03 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2= 531, 532, &end # # 2 LYS HA 2 LYS HG3 4.11 &rst ixpk= 0, nxpk= 0, iat= 16, 22, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 8 PHE HA 33 THR QG2 3.85 &rst ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 478, 479, 480, &end # # 8 PHE HA 10 ASN HN 4.18 &rst ixpk= 0, nxpk= 0, iat= 106, 134, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 3 ASN HN 3 ASN HD21 5.50 &rst ixpk= 0, nxpk= 0, iat= 36, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 ASN HN 5 PHE HN 3.73 &rst ixpk= 0, nxpk= 0, iat= 36, 67, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 43 TYR HA 43 TYR HD 4.60 &rst ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 625, 634, &end # # 43 TYR HN 43 TYR HD 4.04 &rst ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 625, 634, &end # # 2 LYS HB3 2 LYS QD 3.14 &rst ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 24, 25, &end # # 41 ILE QD1 42 SER HA 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 600, 601, 602, &end # # 2 LYS HN 2 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 24, 25, &end # # 2 LYS HN 4 GLN HN 3.49 &rst ixpk= 0, nxpk= 0, iat= 14, 50, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 2 LYS HN 2 LYS HB2 4.20 &rst ixpk= 0, nxpk= 0, iat= 14, 18, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 2 LYS HN 5 PHE HN 4.33 &rst ixpk= 0, nxpk= 0, iat= 14, 67, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 2 LYS HN 2 LYS QE 4.42 &rst ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 27, 28, &end # # 2 LYS HN 3 ASN HN 4.27 &rst ixpk= 0, nxpk= 0, iat= 14, 36, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 2 LYS HN 2 LYS HB3 4.20 &rst ixpk= 0, nxpk= 0, iat= 14, 19, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 24 GLU HN 24 GLU HG2 3.84 &rst ixpk= 0, nxpk= 0, iat= 348, 355, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 8 PHE HD 13 VAL HB 5.17 &rst ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 112, 120, &end # # 24 GLU HA 24 GLU HB3 2.81 &rst ixpk= 0, nxpk= 0, iat= 350, 353, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end # # 5 PHE HD 17 CYX HA 4.28 &rst ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 75, 83, &end # # 5 PHE HA 5 PHE HD 3.06 &rst ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 75, 83, &end # # 5 PHE HD 20 HIS QB 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 75, 83, igr2= 293, 294, &end # # 5 PHE HD 20 HIS HD2 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1= 75, 83, &end # # 5 PHE HB3 5 PHE HD 2.88 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr2= 75, 83, &end # # 2 LYS HA 2 LYS QD 5.24 &rst ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 24, 25, &end # # 2 LYS HA 2 LYS QE 4.93 &rst ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 27, 28, &end # # 2 LYS HA 2 LYS HG2 4.11 &rst ixpk= 0, nxpk= 0, iat= 16, 21, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 44 LEU HA 44 LEU QQD 4.53 &rst ixpk= 0, nxpk= 0, iat= 640, 644, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 9 ALA HN 33 THR HA 4.18 &rst ixpk= 0, nxpk= 0, iat= 124, 474, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 28 GLY HN 29 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 412, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 GLY HN 29 ILE HN 5.19 &rst ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 21 CYX HB3 28 GLY HN 4.09 &rst ixpk= 0, nxpk= 0, iat= 311, 412, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 27 GLU HB2 28 GLY HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 27 GLU HA 28 GLY HN 2.59 &rst ixpk= 0, nxpk= 0, iat= 399, 412, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end # # 2 LYS HN 2 LYS HG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 14, 21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 LYS HN 36 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 528, 529, &end # # 36 LYS HA 36 LYS QD 4.30 &rst ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 528, 529, &end # # 4 GLN HN 5 PHE HN 3.20 &rst ixpk= 0, nxpk= 0, iat= 50, 67, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 5 PHE HN 5 PHE HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 77, 81, &end # # 5 PHE HN 5 PHE HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 77, 81, &end # # 5 PHE HN 5 PHE HD 4.10 &rst ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 75, 83, &end # # 4 GLN HA 5 PHE HN 3.37 &rst ixpk= 0, nxpk= 0, iat= 52, 67, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 3 ASN QB 4 GLN HN 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 40, 41, &end # # 37 CYX HN 37 CYX HB3 3.71 &rst ixpk= 0, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 29 ILE HN 35 CYX HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 419, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 CYX HB3 37 CYX HB3 4.64 &rst ixpk= 0, nxpk= 0, iat= 311, 545, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 12 ASP HN 13 VAL HN 4.74 &rst ixpk= 0, nxpk= 0, iat= 164, 176, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 11 VAL HB 12 ASP HN 4.45 &rst ixpk= 0, nxpk= 0, iat= 152, 164, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 21 CYX HB3 38 GLY HN 4.86 &rst ixpk= 0, nxpk= 0, iat= 311, 550, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 12 ASP HN 12 ASP HB2 3.76 &rst ixpk= 0, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 11 VAL HN 12 ASP HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 148, 164, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 41 ILE HG13 42 SER HN 3.67 &rst ixpk= 0, nxpk= 0, iat= 598, 606, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 39 VAL QG2 40 PRO HD2 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 567, 568, 569, &end # # 26 LYS QG 37 CYX HB2 4.43 &rst ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 382, 383, &end # # 26 LYS QG 26 LYS QE 3.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 382, 383, igr2= 388, 389, &end # # 26 LYS QB 26 LYS QG 2.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr1= 379, 380, igr2= 382, 383, &end # # 26 LYS QG 37 CYX HB3 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 382, 383, &end # # 26 LYS HA 26 LYS QG 4.10 &rst ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 382, 383, &end # # 26 LYS HA 26 LYS QE 4.29 &rst ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 388, 389, &end # # 22 LYS HA 25 ASP HA 3.47 &rst ixpk= 0, nxpk= 0, iat= 318, 365, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 18 LYS QG 22 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 22 LYS HA 24 GLU HN 4.00 &rst ixpk= 0, nxpk= 0, iat= 318, 348, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 18 LYS QD 22 LYS HA 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 253, 254, &end # # 22 LYS HA 26 LYS QB 5.01 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2= 379, 380, &end # # 14 LYS HN 14 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 14 LYS HN 14 LYS HG3 4.11 &rst ixpk= 0, nxpk= 0, iat= 192, 200, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 14 LYS HN 14 LYS HG2 4.11 &rst ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 13 VAL HB 14 LYS HN 3.79 &rst ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 14 LYS HN 14 LYS QB 3.97 &rst ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 196, 197, &end # # 13 VAL QG1 14 LYS HN 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 182, 183, 184, &end # # 13 VAL QG2 14 LYS HN 4.07 &rst ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 186, 187, 188, &end # # 14 LYS HN 15 GLY HN 3.42 &rst ixpk= 0, nxpk= 0, iat= 192, 214, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 8 PHE HD 13 VAL QG2 3.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 112, 120, igr2= 186, 187, 188, &end # # 8 PHE HD 33 THR QG2 3.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 112, 120, igr2= 478, 479, 480, &end # # 8 PHE HB3 8 PHE HD 3.22 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 112, 120, &end # # 8 PHE HD 9 ALA HN 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 112, 120, &end # # 8 PHE HD 9 ALA QB 3.13 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 112, 120, igr2= 128, 129, 130, &end # # 2 LYS HN 2 LYS HG3 5.50 &rst ixpk= 0, nxpk= 0, iat= 14, 22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ILE HN 30 CYX HN 4.44 &rst ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 29 ILE HN 29 ILE HB 3.40 &rst ixpk= 0, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 29 ILE HN 36 LYS HA 5.05 &rst ixpk= 0, nxpk= 0, iat= 419, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 28 GLY HA2 29 ILE HN 2.93 &rst ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end # # 28 GLY HA3 29 ILE HN 3.46 &rst ixpk= 0, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 29 ILE HN 31 HIS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 419, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ILE HN 29 ILE QD1 4.29 &rst ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 432, 433, 434, &end # # 29 ILE HN 31 HIS HD2 4.97 &rst ixpk= 0, nxpk= 0, iat= 419, 461, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 22 LYS HB2 22 LYS QE 4.29 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 329, 330, &end # # 22 LYS HB3 22 LYS QE 5.43 &rst ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 329, 330, &end # # 34 LYS HB3 34 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 499, 500, &end # # 22 LYS HA 22 LYS QE 4.51 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 329, 330, &end # # 31 HIS HD2 36 LYS HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 461, 518, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 31 HIS HN 31 HIS HD2 3.92 &rst ixpk= 0, nxpk= 0, iat= 448, 461, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 31 HIS HD2 36 LYS QG 3.85 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 525, 526, &end # # 29 ILE QD1 31 HIS HD2 3.18 &rst ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr1= 432, 433, 434, &end # # 31 HIS HD2 36 LYS HB3 3.14 &rst ixpk= 0, nxpk= 0, iat= 461, 523, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 31 HIS HD2 36 LYS QD 4.77 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 528, 529, &end # # 31 HIS HA 31 HIS HD2 4.77 &rst ixpk= 0, nxpk= 0, iat= 450, 461, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 31 HIS HD2 36 LYS HB2 3.14 &rst ixpk= 0, nxpk= 0, iat= 461, 522, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 8 PHE HB2 13 VAL QG2 3.53 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 186, 187, 188, &end # # 7 CYX HA 13 VAL QG2 4.49 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 186, 187, 188, &end # # 11 VAL HB 13 VAL QG2 3.22 &rst ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2= 186, 187, 188, &end # # 12 ASP HA 13 VAL QG2 4.09 &rst ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 186, 187, 188, &end # # 12 ASP HN 13 VAL QG2 4.88 &rst ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2= 186, 187, 188, &end # # 19 ARG HN 19 ARG HB2 3.62 &rst ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 5 PHE HD 35 CYX HB2 5.33 &rst ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 75, 83, &end # # 21 CYX HB2 22 LYS HN 3.56 &rst ixpk= 0, nxpk= 0, iat= 310, 316, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 22 LYS HN 22 LYS HB2 2.74 &rst ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 22 LYS HN 26 LYS HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 316, 375, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 18 LYS QG 22 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 22 LYS HN 24 GLU HN 4.21 &rst ixpk= 0, nxpk= 0, iat= 316, 348, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 21 CYX HN 22 LYS HN 2.87 &rst ixpk= 0, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 18 LYS HA 22 LYS HN 4.18 &rst ixpk= 0, nxpk= 0, iat= 245, 316, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 22 LYS HN 28 GLY HA3 5.48 &rst ixpk= 0, nxpk= 0, iat= 316, 415, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 22 LYS HN 22 LYS HB3 2.80 &rst ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 22 LYS HN 22 LYS HA 2.85 &rst ixpk= 0, nxpk= 0, iat= 316, 318, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 22 LYS HN 22 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 329, 330, &end # # 20 HIS HA 22 LYS HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 291, 316, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 21 CYX HB3 22 LYS HN 3.89 &rst ixpk= 0, nxpk= 0, iat= 311, 316, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 22 LYS HN 23 ALA HN 2.88 &rst ixpk= 0, nxpk= 0, iat= 316, 338, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end # # 18 LYS QD 22 LYS HN 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 253, 254, &end # # 22 LYS HN 26 LYS QB 5.26 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 379, 380, &end # # 19 ARG HA 19 ARG HD2 4.99 &rst ixpk= 0, nxpk= 0, iat= 267, 275, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 11 VAL QG1 13 VAL QG1 2.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 154, 155, 156, igr2= 182, 183, 184, &end # # 11 VAL HA 11 VAL QG2 2.77 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, igr2= 158, 159, 160, &end # # 41 ILE QG2 41 ILE HG13 2.68 &rst ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, igr1= 593, 594, 595, &end # # 4 GLN HA 7 CYX HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 52, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 39 VAL HA 39 VAL HB 2.91 &rst ixpk= 0, nxpk= 0, iat= 559, 561, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 39 VAL HA 40 PRO HD2 2.72 &rst ixpk= 0, nxpk= 0, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end # # 39 VAL HA 39 VAL QG1 2.73 &rst ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 563, 564, 565, &end # # 39 VAL HA 40 PRO HD3 2.43 &rst ixpk= 0, nxpk= 0, iat= 559, 575, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end # # 39 VAL HA 39 VAL QG2 3.25 &rst ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2= 567, 568, 569, &end # # 10 ASN HN 32 GLY HN 3.56 &rst ixpk= 0, nxpk= 0, iat= 134, 465, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 10 ASN HN 33 THR HN 4.91 &rst ixpk= 0, nxpk= 0, iat= 134, 472, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 9 ALA HA 10 ASN HN 3.01 &rst ixpk= 0, nxpk= 0, iat= 126, 134, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 10 ASN HN 32 GLY HA2 3.35 &rst ixpk= 0, nxpk= 0, iat= 134, 467, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 9 ALA HN 10 ASN HN 2.95 &rst ixpk= 0, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 10 ASN HN 32 GLY HA3 4.31 &rst ixpk= 0, nxpk= 0, iat= 134, 468, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 10 ASN HN 31 HIS HA 5.26 &rst ixpk= 0, nxpk= 0, iat= 134, 450, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 10 ASN HN 10 ASN HB2 4.20 &rst ixpk= 0, nxpk= 0, iat= 134, 138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 10 ASN HN 10 ASN HA 2.64 &rst ixpk= 0, nxpk= 0, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end # # 10 ASN HN 11 VAL HN 3.14 &rst ixpk= 0, nxpk= 0, iat= 134, 148, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 3 ASN HA 3 ASN HD22 5.50 &rst ixpk= 0, nxpk= 0, iat= 38, 46, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 ASN HN 3 ASN HD22 5.50 &rst ixpk= 0, nxpk= 0, iat= 36, 46, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 1 ALA QB 2 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 8, 9, 10, &end # # 18 LYS HN 18 LYS QG 4.67 &rst ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 250, 251, &end # # 17 CYX HN 18 LYS HN 3.83 &rst ixpk= 0, nxpk= 0, iat= 233, 243, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 16 ASP QB 18 LYS HN 5.43 &rst ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 225, 226, &end # # 17 CYX HB3 18 LYS HN 4.45 &rst ixpk= 0, nxpk= 0, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 16 ASP HA 18 LYS HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 223, 243, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 18 LYS HN 18 LYS HB3 3.26 &rst ixpk= 0, nxpk= 0, iat= 243, 248, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 18 LYS HN 18 LYS HB2 3.26 &rst ixpk= 0, nxpk= 0, iat= 243, 247, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 18 LYS HN 18 LYS QD 4.60 &rst ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 253, 254, &end # # 18 LYS HN 18 LYS QE 5.12 &rst ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 256, 257, &end # # 18 LYS HN 19 ARG HN 3.86 &rst ixpk= 0, nxpk= 0, iat= 243, 265, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 29 ILE HN 29 ILE HG12 4.64 &rst ixpk= 0, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 7 CYX HB3 30 CYX QB 3.01 &rst ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 442, 443, &end # # 30 CYX HN 30 CYX QB 2.73 &rst ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, igr2= 442, 443, &end # # 7 CYX HA 30 CYX QB 4.03 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 442, 443, &end # # 30 CYX QB 31 HIS HN 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1= 442, 443, &end # # 7 CYX HB2 30 CYX QB 3.62 &rst ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 442, 443, &end # # 10 ASN HN 30 CYX QB 4.05 &rst ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 442, 443, &end # # 10 ASN HA 30 CYX QB 3.18 &rst ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2= 442, 443, &end # # 11 VAL HN 30 CYX QB 4.07 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 442, 443, &end # # 19 ARG HA 23 ALA HN 4.34 &rst ixpk= 0, nxpk= 0, iat= 267, 338, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 23 ALA HN 23 ALA QB 2.42 &rst ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, igr2= 342, 343, 344, &end # # 8 PHE HD 13 VAL QG1 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 112, 120, igr2= 182, 183, 184, &end # # 21 CYX HN 23 ALA HN 4.28 &rst ixpk= 0, nxpk= 0, iat= 306, 338, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 21 CYX HA 23 ALA HN 4.16 &rst ixpk= 0, nxpk= 0, iat= 308, 338, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 8 PHE HA 8 PHE HD 3.24 &rst ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 112, 120, &end # # 22 LYS HB3 23 ALA HN 3.35 &rst ixpk= 0, nxpk= 0, iat= 321, 338, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 4 GLN HN 4 GLN HE21 5.50 &rst ixpk= 0, nxpk= 0, iat= 50, 62, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 GLN HG3 4 GLN HE21 3.44 &rst ixpk= 0, nxpk= 0, iat= 58, 62, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 10 ASN HA 31 HIS HA 4.14 &rst ixpk= 0, nxpk= 0, iat= 136, 450, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 44 LEU HN 44 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 LEU HN 44 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= 638, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 TYR HN 44 LEU HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 617, 638, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 5 PHE HB2 7 CYX HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 71, 96, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 PHE HB2 5 PHE HE 4.92 &rst ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 77, 81, &end # # 5 PHE HE 34 LYS QE 5.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 77, 81, igr2= 499, 500, &end # # 5 PHE HZ 34 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 499, 500, &end # # 5 PHE HN 5 PHE HB2 3.62 &rst ixpk= 0, nxpk= 0, iat= 67, 71, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 16 ASP QB 18 LYS QD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 225, 226, igr2= 253, 254, &end # # 18 LYS HB3 18 LYS QD 3.69 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 253, 254, &end # # 18 LYS HB2 18 LYS QD 3.69 &rst ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 253, 254, &end # # 18 LYS QD 22 LYS HB3 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 253, 254, &end # # 18 LYS QD 22 LYS QE 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 253, 254, igr2= 329, 330, &end # # 8 PHE HB2 33 THR HA 4.43 &rst ixpk= 0, nxpk= 0, iat= 108, 474, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 7 CYX HA 11 VAL HN 4.78 &rst ixpk= 0, nxpk= 0, iat= 96, 148, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 11 VAL HN 11 VAL QG1 4.06 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 154, 155, 156, &end # # 11 VAL HN 11 VAL HB 3.09 &rst ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 11 VAL HN 11 VAL QG2 3.10 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 158, 159, 160, &end # # 8 PHE HN 15 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 104, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 PHE HE 33 THR QG2 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 114, 118, igr2= 478, 479, 480, &end # # 8 PHE HB3 8 PHE HE 4.70 &rst ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 114, 118, &end # # 8 PHE HB2 8 PHE HE 4.96 &rst ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 114, 118, &end # # 8 PHE HE 9 ALA QB 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 114, 118, igr2= 128, 129, 130, &end # # 22 LYS HB3 22 LYS HD2 4.22 &rst ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 41 ILE HA 41 ILE QD1 3.73 &rst ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 600, 601, 602, &end # # 41 ILE HA 41 ILE HG13 3.67 &rst ixpk= 0, nxpk= 0, iat= 589, 598, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 41 ILE HA 41 ILE QG2 3.74 &rst ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 593, 594, 595, &end # # 27 GLU HA 28 GLY HA3 4.79 &rst ixpk= 0, nxpk= 0, iat= 399, 415, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 28 GLY HA3 29 ILE HA 5.14 &rst ixpk= 0, nxpk= 0, iat= 415, 421, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 17 CYX HA 20 HIS HN 3.40 &rst ixpk= 0, nxpk= 0, iat= 235, 289, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 20 HIS HN 21 CYX HN 2.96 &rst ixpk= 0, nxpk= 0, iat= 289, 306, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 19 ARG HB2 20 HIS HN 3.98 &rst ixpk= 0, nxpk= 0, iat= 269, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 20 HIS HN 22 LYS HN 4.04 &rst ixpk= 0, nxpk= 0, iat= 289, 316, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 19 ARG HN 20 HIS HN 3.34 &rst ixpk= 0, nxpk= 0, iat= 265, 289, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 4 GLN HE22 6 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 63, 87, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 PHE HD 6 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 75, 83, &end # # 5 PHE HA 5 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 75, 83, &end # # 5 PHE HD 35 CYX HB3 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1= 75, 83, &end # # 4 GLN HE22 7 CYX HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 63, 94, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 PHE HD 7 CYX HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 75, 83, &end # # 5 PHE HN 5 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 75, 83, &end # # 5 PHE HD 35 CYX HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 75, 83, &end # # 22 LYS HA 41 ILE QG2 3.66 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 593, 594, 595, &end # # 27 GLU HA 41 ILE QG2 4.24 &rst ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2= 593, 594, 595, &end # # 27 GLU HB3 28 GLY HN 4.07 &rst ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 27 GLU HB3 39 VAL HN 4.72 &rst ixpk= 0, nxpk= 0, iat= 402, 557, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 4 GLN HA 4 GLN HG2 3.92 &rst ixpk= 0, nxpk= 0, iat= 52, 57, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 4 GLN HA 4 GLN HE21 5.24 &rst ixpk= 0, nxpk= 0, iat= 52, 62, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 4 GLN HA 4 GLN HG3 3.87 &rst ixpk= 0, nxpk= 0, iat= 52, 58, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 36 LYS HB2 37 CYX HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 522, 540, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 19 ARG HB2 19 ARG QG 2.94 &rst ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2= 272, 273, &end # # 19 ARG HN 19 ARG HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 265, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 CYX HA 19 ARG HN 4.13 &rst ixpk= 0, nxpk= 0, iat= 235, 265, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 18 LYS QG 19 ARG HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 19 ARG HN 19 ARG HD3 5.50 &rst ixpk= 0, nxpk= 0, iat= 265, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 ARG HN 19 ARG HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 265, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 PHE HB3 17 CYX HA 3.55 &rst ixpk= 0, nxpk= 0, iat= 72, 235, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 5 PHE HB3 6 GLY HN 5.12 &rst ixpk= 0, nxpk= 0, iat= 72, 87, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 5 PHE HB3 5 PHE HE 4.88 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 77, 81, &end # # 5 PHE HB3 20 HIS HD2 4.87 &rst ixpk= 0, nxpk= 0, iat= 72, 302, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 5 PHE HN 5 PHE HB3 4.08 &rst ixpk= 0, nxpk= 0, iat= 67, 72, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 5 PHE HB3 35 CYX HB2 3.50 &rst ixpk= 0, nxpk= 0, iat= 72, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 GLU HB2 26 LYS HN 4.57 &rst ixpk= 0, nxpk= 0, iat= 352, 375, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 27 GLU HA 38 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= 399, 553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 ALA QB 10 ASN HN 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 128, 129, 130, &end # # 9 ALA QB 11 VAL HN 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 128, 129, 130, &end # # 39 VAL HN 39 VAL HB 3.68 &rst ixpk= 0, nxpk= 0, iat= 557, 561, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 39 VAL HN 40 PRO HD2 4.79 &rst ixpk= 0, nxpk= 0, iat= 557, 574, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 38 GLY HA2 39 VAL HN 3.16 &rst ixpk= 0, nxpk= 0, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 39 VAL HN 39 VAL QG1 2.85 &rst ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 563, 564, 565, &end # # 38 GLY HN 39 VAL HN 4.32 &rst ixpk= 0, nxpk= 0, iat= 550, 557, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 39 VAL HN 39 VAL QG2 2.59 &rst ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, igr2= 567, 568, 569, &end # # 38 GLY HA3 39 VAL HN 2.65 &rst ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 2 LYS HN 2 LYS QB 3.69 &rst ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 18, 19, &end # # 2 LYS HA 2 LYS QG 3.40 &rst ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 21, 22, &end # # 2 LYS QB 2 LYS QD 2.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, igr1= 18, 19, igr2= 24, 25, &end # # 2 LYS QB 2 LYS QE 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 18, 19, igr2= 27, 28, &end # # 2 LYS QG 2 LYS QE 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 21, 22, igr2= 27, 28, &end # # 2 LYS QG 3 ASN QD2 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 21, 22, igr2= 45, 46, &end # # 3 ASN HA 3 ASN QD2 4.71 &rst ixpk= 0, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2= 45, 46, &end # # 3 ASN QB 3 ASN QD2 3.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 40, 41, igr2= 45, 46, &end # # 4 GLN HN 4 GLN QB 3.38 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2= 54, 55, &end # # 4 GLN QB 4 GLN HE21 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 54, 55, &end # # 4 GLN HG3 6 GLY QA 3.82 &rst ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 89, 90, &end # # 7 CYX HN 17 CYX QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 237, 238, &end # # 10 ASN HN 10 ASN QB 3.66 &rst ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 138, 139, &end # # 10 ASN QB 10 ASN HD21 2.79 &rst ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, igr1= 138, 139, &end # # 10 ASN QB 10 ASN HD22 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1= 138, 139, &end # # 10 ASN QB 32 GLY HN 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 138, 139, &end # # 12 ASP HN 12 ASP QB 3.09 &rst ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr2= 168, 169, &end # # 13 VAL HB 14 LYS QG 3.90 &rst ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 199, 200, &end # # 14 LYS HN 14 LYS QG 3.60 &rst ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 199, 200, &end # # 14 LYS HN 14 LYS QD 4.00 &rst ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 202, 203, &end # # 14 LYS HA 14 LYS QD 4.07 &rst ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 202, 203, &end # # 14 LYS QB 14 LYS QD 2.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, igr1= 196, 197, igr2= 202, 203, &end # # 16 ASP QB 18 LYS QB 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 225, 226, igr2= 247, 248, &end # # 17 CYX HN 17 CYX QB 3.61 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2= 237, 238, &end # # 17 CYX HA 19 ARG QB 4.72 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 269, 270, &end # # 17 CYX QB 18 LYS HN 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 237, 238, &end # # 17 CYX QB 19 ARG HN 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 237, 238, &end # # 17 CYX QB 35 CYX HB2 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 237, 238, &end # # 18 LYS HN 18 LYS QB 2.83 &rst ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, igr2= 247, 248, &end # # 18 LYS QB 18 LYS QD 2.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr1= 247, 248, igr2= 253, 254, &end # # 18 LYS QB 18 LYS QE 3.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 247, 248, igr2= 256, 257, &end # # 18 LYS QB 19 ARG HN 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 247, 248, &end # # 19 ARG HN 19 ARG QB 3.15 &rst ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr2= 269, 270, &end # # 19 ARG HA 19 ARG QD 4.31 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 275, 276, &end # # 19 ARG QB 19 ARG QD 2.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr1= 269, 270, igr2= 275, 276, &end # # 19 ARG QB 19 ARG HE 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 269, 270, &end # # 19 ARG QB 20 HIS HN 3.21 &rst ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 269, 270, &end # # 19 ARG QB 20 HIS QB 5.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, igr1= 269, 270, igr2= 293, 294, &end # # 22 LYS HN 22 LYS QG 4.31 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 323, 324, &end # # 22 LYS HN 22 LYS QD 5.34 &rst ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 326, 327, &end # # 22 LYS HA 22 LYS QG 3.54 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr2= 323, 324, &end # # 22 LYS HA 22 LYS QD 4.44 &rst ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 326, 327, &end # # 22 LYS HB2 22 LYS QD 3.67 &rst ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 326, 327, &end # # 23 ALA HN 24 GLU QG 4.44 &rst ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 355, 356, &end # # 23 ALA QB 24 GLU QG 3.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 342, 343, 344, igr2= 355, 356, &end # # 24 GLU HN 24 GLU QG 3.04 &rst ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2= 355, 356, &end # # 24 GLU HA 24 GLU QG 3.44 &rst ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 355, 356, &end # # 24 GLU QG 25 ASP HN 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 355, 356, &end # # 27 GLU HN 27 GLU QG 3.85 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 404, 405, &end # # 27 GLU HA 27 GLU QG 2.76 &rst ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, igr2= 404, 405, &end # # 27 GLU QG 28 GLY HN 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 404, 405, &end # # 27 GLU QG 41 ILE HA 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 404, 405, &end # # 31 HIS HN 31 HIS QB 3.47 &rst ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 452, 453, &end # # 31 HIS HD2 36 LYS QB 2.73 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, igr2= 522, 523, &end # # 34 LYS HN 34 LYS QD 4.23 &rst ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2= 496, 497, &end # # 34 LYS HA 34 LYS QD 3.61 &rst ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2= 496, 497, &end # # 34 LYS HB3 34 LYS QD 3.59 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 496, 497, &end # # 34 LYS HG3 34 LYS QD 2.51 &rst ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, igr2= 496, 497, &end # # 34 LYS QD 35 CYX HN 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 496, 497, &end # # 36 LYS QB 36 LYS QD 2.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1= 522, 523, igr2= 528, 529, &end # # 36 LYS QB 36 LYS QE 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 522, 523, igr2= 531, 532, &end # # 39 VAL HA 40 PRO QG 4.40 &rst ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 577, 578, &end # # 40 PRO QB 41 ILE HN 3.64 &rst ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr1= 580, 581, &end # # 42 SER HN 42 SER QB 3.04 &rst ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2= 610, 611, &end # # 42 SER HA 42 SER QB 2.62 &rst ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, igr2= 610, 611, &end # # 42 SER QB 43 TYR HN 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1= 610, 611, &end # # 43 TYR HN 43 TYR QB 3.23 &rst ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 621, 622, &end # # 43 TYR QB 43 TYR HE 4.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 621, 622, igr2= 627, 632, &end # # 43 TYR QB 43 TYR HD 3.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 621, 622, igr2= 625, 634, &end # # 43 TYR QB 44 LEU HN 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 621, 622, &end
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