NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
611054 | 2nb9 | 25967 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 1 MET HA 2 ILE H 3.09 &rst ixpk= 0, nxpk= 0, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, rk2=20, rk3=20, ir6=1, ialtd=0, &end # # 1 MET HG2 1 MET QE 3.63 &rst ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 15, 16, 17, &end # # 1 MET HG3 14 VAL QQG 4.65 &rst ixpk= 0, nxpk= 0, iat= 12, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 214, 215, 216, 218, 219, 220, &end # # 1 MET HG3 3 LEU HG 4.22 &rst ixpk= 0, nxpk= 0, iat= 12, 47, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 1 MET QB 2 ILE H 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 8, 9, &end # # 1 MET QB 3 LEU HG 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 8, 9, &end # # 1 MET QE 14 VAL QQG 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61, igr1= 15, 16, 17, igr2= 214, 215, 216, 218, 219, 220, &end # # 1 MET QE 19 VAL HA 4.56 &rst ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1= 15, 16, 17, &end # # 1 MET QE 19 VAL QG1 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 15, 16, 17, igr2= 287, 288, 289, &end # # 1 MET QE 19 VAL QG2 3.51 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 15, 16, 17, igr2= 291, 292, 293, &end # # 1 MET QE 38 PHE H 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 15, 16, 17, &end # # 1 MET QE 39 LYS H 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 15, 16, 17, &end # # 1 MET QE 39 LYS HA 3.23 &rst ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 15, 16, 17, &end # # 1 MET QE 39 LYS HE3 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 15, 16, 17, &end # # 1 MET QE 3 LEU HG 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 15, 16, 17, &end # # 1 MET QE 3 LEU QD1 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 15, 16, 17, igr2= 49, 50, 51, &end # # 1 MET QE 3 LEU QD2 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 15, 16, 17, igr2= 53, 54, 55, &end # # 1 MET QE 40 ASP H 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 15, 16, 17, &end # # 2 ILE H 2 ILE HB 3.42 &rst ixpk= 0, nxpk= 0, iat= 21, 25, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 2 ILE H 2 ILE HG13 4.54 &rst ixpk= 0, nxpk= 0, iat= 21, 32, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 2 ILE H 2 ILE QG2 4.69 &rst ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 27, 28, 29, &end # # 2 ILE H 3 LEU HG 4.48 &rst ixpk= 0, nxpk= 0, iat= 21, 47, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 2 ILE HA 2 ILE QD1 4.01 &rst ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 34, 35, 36, &end # # 2 ILE HA 2 ILE QG2 3.68 &rst ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 27, 28, 29, &end # # 2 ILE HA 3 LEU H 2.96 &rst ixpk= 0, nxpk= 0, iat= 23, 40, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 2 ILE HB 2 ILE QD1 4.03 &rst ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 34, 35, 36, &end # # 2 ILE HG12 11 ARG QD 3.26 &rst ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2= 153, 154, &end # # 2 ILE QD1 11 ARG QD 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1= 34, 35, 36, igr2= 153, 154, &end # # 2 ILE QD1 12 TYR H 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 34, 35, 36, &end # # 2 ILE QD1 12 TYR HA 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 34, 35, 36, &end # # 2 ILE QD1 13 PHE HB2 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 34, 35, 36, &end # # 2 ILE QD1 13 PHE HB3 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 34, 35, 36, &end # # 2 ILE QD1 13 PHE QD 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 34, 35, 36, igr2= 196, 204, &end # # 2 ILE QD1 3 LEU H 4.51 &rst ixpk= 0, nxpk= 0, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 34, 35, 36, &end # # 2 ILE QG2 11 ARG HA 4.28 &rst ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 27, 28, 29, &end # # 2 ILE QG2 11 ARG HB3 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 27, 28, 29, &end # # 2 ILE QG2 11 ARG QD 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 27, 28, 29, igr2= 153, 154, &end # # 2 ILE QG2 12 TYR H 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 27, 28, 29, &end # # 2 ILE QG2 2 ILE HG12 3.47 &rst ixpk= 0, nxpk= 0, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1= 27, 28, 29, &end # # 2 ILE QG2 2 ILE HG13 4.52 &rst ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 27, 28, 29, &end # # 2 ILE QG2 2 ILE QD1 2.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1= 27, 28, 29, igr2= 34, 35, 36, &end # # 2 ILE QG2 3 LEU H 3.51 &rst ixpk= 0, nxpk= 0, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 27, 28, 29, &end # # 3 LEU H 12 TYR H 3.73 &rst ixpk= 0, nxpk= 0, iat= 40, 167, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 3 LEU H 3 LEU HB3 4.11 &rst ixpk= 0, nxpk= 0, iat= 40, 45, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 3 LEU H 3 LEU HG 3.84 &rst ixpk= 0, nxpk= 0, iat= 40, 47, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 3 LEU H 3 LEU QD1 4.78 &rst ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 49, 50, 51, &end # # 3 LEU H 3 LEU QD2 4.63 &rst ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 53, 54, 55, &end # # 3 LEU HA 3 LEU QD1 3.82 &rst ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 49, 50, 51, &end # # 3 LEU HA 3 LEU QD2 4.78 &rst ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 53, 54, 55, &end # # 3 LEU HA 4 THR H 3.12 &rst ixpk= 0, nxpk= 0, iat= 42, 59, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 3 LEU HB2 35 TRP HZ2 4.07 &rst ixpk= 0, nxpk= 0, iat= 44, 516, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 3 LEU HB2 3 LEU QD1 4.12 &rst ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 49, 50, 51, &end # # 3 LEU HB2 3 LEU QD2 3.80 &rst ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 53, 54, 55, &end # # 3 LEU HB3 35 TRP HZ2 3.64 &rst ixpk= 0, nxpk= 0, iat= 45, 516, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 3 LEU HB3 3 LEU QD1 3.43 &rst ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 49, 50, 51, &end # # 3 LEU HB3 3 LEU QD2 3.26 &rst ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 53, 54, 55, &end # # 3 LEU HB3 4 THR H 3.92 &rst ixpk= 0, nxpk= 0, iat= 45, 59, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 3 LEU HG 37 ALA QB 4.10 &rst ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2= 545, 546, 547, &end # # 3 LEU HG 4 THR H 5.32 &rst ixpk= 0, nxpk= 0, iat= 47, 59, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 3 LEU QD1 26 VAL QG1 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1= 49, 50, 51, igr2= 383, 384, 385, &end # # 3 LEU QD1 26 VAL QG2 4.57 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 49, 50, 51, igr2= 387, 388, 389, &end # # 3 LEU QD1 35 TRP HZ2 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 49, 50, 51, &end # # 3 LEU QD2 26 VAL QG1 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 53, 54, 55, igr2= 383, 384, 385, &end # # 3 LEU QD2 26 VAL QG2 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 53, 54, 55, igr2= 387, 388, 389, &end # # 3 LEU QD2 35 TRP HZ2 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr1= 53, 54, 55, &end # # 3 LEU QD2 37 ALA QB 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 53, 54, 55, igr2= 545, 546, 547, &end # # 4 THR H 35 TRP HZ2 4.38 &rst ixpk= 0, nxpk= 0, iat= 59, 516, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 4 THR H 4 THR HB 3.33 &rst ixpk= 0, nxpk= 0, iat= 59, 63, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 4 THR H 4 THR QG2 4.27 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 65, 66, 67, &end # # 4 THR HA 10 SER H 5.24 &rst ixpk= 0, nxpk= 0, iat= 61, 132, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 4 THR HA 11 ARG HA 3.63 &rst ixpk= 0, nxpk= 0, iat= 61, 145, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 4 THR HA 12 TYR H 3.90 &rst ixpk= 0, nxpk= 0, iat= 61, 167, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 4 THR HA 4 THR QG2 3.63 &rst ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 65, 66, 67, &end # # 4 THR HA 5 CYM H 3.15 &rst ixpk= 0, nxpk= 0, iat= 61, 73, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 4 THR HB 5 CYM H 4.43 &rst ixpk= 0, nxpk= 0, iat= 63, 73, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 4 THR QG2 10 SER H 4.97 &rst ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 65, 66, 67, &end # # 4 THR QG2 10 SER HA 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 65, 66, 67, &end # # 4 THR QG2 10 SER HB3 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 65, 66, 67, &end # # 4 THR QG2 11 ARG HA 4.62 &rst ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 65, 66, 67, &end # # 4 THR QG2 11 ARG QD 4.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 65, 66, 67, igr2= 153, 154, &end # # 4 THR QG2 5 CYM H 3.74 &rst ixpk= 0, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 65, 66, 67, &end # # 4 THR QG2 9 ALA H 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 65, 66, 67, &end # # 4 THR QG2 9 ALA HA 3.03 &rst ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr1= 65, 66, 67, &end # # 4 THR QG2 9 ALA QB 3.78 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 65, 66, 67, igr2= 126, 127, 128, &end # # 5 CYM H 11 ARG HA 4.62 &rst ixpk= 0, nxpk= 0, iat= 73, 145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 5 CYM H 35 TRP HH2 4.57 &rst ixpk= 0, nxpk= 0, iat= 73, 518, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 5 CYM H 5 CYM HB2 3.68 &rst ixpk= 0, nxpk= 0, iat= 73, 78, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 5 CYM H 5 CYM HB3 3.68 &rst ixpk= 0, nxpk= 0, iat= 73, 77, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 5 CYM H 9 ALA HA 4.18 &rst ixpk= 0, nxpk= 0, iat= 73, 124, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 5 CYM HA 6 PRO HD2 3.71 &rst ixpk= 0, nxpk= 0, iat= 75, 84, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 5 CYM HA 6 PRO HD3 3.77 &rst ixpk= 0, nxpk= 0, iat= 75, 85, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 5 CYM HA 6 PRO HG3 4.50 &rst ixpk= 0, nxpk= 0, iat= 75, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 CYM HB2 10 SER H 4.37 &rst ixpk= 0, nxpk= 0, iat= 78, 132, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 5 CYM HB2 35 TRP HH2 3.93 &rst ixpk= 0, nxpk= 0, iat= 78, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 5 CYM HB2 9 ALA H 4.35 &rst ixpk= 0, nxpk= 0, iat= 78, 122, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 5 CYM HB3 10 SER H 3.90 &rst ixpk= 0, nxpk= 0, iat= 77, 132, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 5 CYM HB3 8 CYM H 4.01 &rst ixpk= 0, nxpk= 0, iat= 77, 112, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 5 CYM HB3 8 CYM HB3 4.26 &rst ixpk= 0, nxpk= 0, iat= 77, 116, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 5 CYM HB3 9 ALA H 3.66 &rst ixpk= 0, nxpk= 0, iat= 77, 122, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 6 PRO HB3 33 ASN HD21 4.83 &rst ixpk= 0, nxpk= 0, iat= 91, 475, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 6 PRO HB3 7 GLU H 4.36 &rst ixpk= 0, nxpk= 0, iat= 91, 97, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 6 PRO HD3 33 ASN HD21 4.19 &rst ixpk= 0, nxpk= 0, iat= 85, 475, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 6 PRO HD3 33 ASN HD22 4.11 &rst ixpk= 0, nxpk= 0, iat= 85, 474, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 6 PRO HD3 7 GLU H 4.53 &rst ixpk= 0, nxpk= 0, iat= 85, 97, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 6 PRO HG2 33 ASN HD21 4.61 &rst ixpk= 0, nxpk= 0, iat= 87, 475, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 6 PRO HG3 33 ASN HD21 4.18 &rst ixpk= 0, nxpk= 0, iat= 88, 475, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 6 PRO HG3 7 GLU H 4.59 &rst ixpk= 0, nxpk= 0, iat= 88, 97, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 7 GLU H 33 ASN HD22 4.38 &rst ixpk= 0, nxpk= 0, iat= 97, 474, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 7 GLU H 7 GLU HB2 3.72 &rst ixpk= 0, nxpk= 0, iat= 97, 101, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 7 GLU H 7 GLU HB3 3.67 &rst ixpk= 0, nxpk= 0, iat= 97, 102, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 7 GLU H 7 GLU QG 3.38 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2= 104, 105, &end # # 7 GLU H 8 CYM H 3.20 &rst ixpk= 0, nxpk= 0, iat= 97, 112, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 7 GLU H 9 ALA H 4.15 &rst ixpk= 0, nxpk= 0, iat= 97, 122, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 7 GLU HA 7 GLU QG 3.67 &rst ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 104, 105, &end # # 7 GLU HB2 8 CYM H 4.08 &rst ixpk= 0, nxpk= 0, iat= 101, 112, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 7 GLU HB3 7 GLU QG 2.95 &rst ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2= 104, 105, &end # # 7 GLU HB3 8 CYM H 4.10 &rst ixpk= 0, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 7 GLU QG 33 ASN HB3 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 104, 105, &end # # 7 GLU QG 33 ASN HD21 4.62 &rst ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 104, 105, &end # # 7 GLU QG 33 ASN HD22 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 104, 105, &end # # 7 GLU QG 8 CYM H 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 104, 105, &end # # 8 CYM H 8 CYM HB3 3.80 &rst ixpk= 0, nxpk= 0, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 8 CYM H 9 ALA H 3.05 &rst ixpk= 0, nxpk= 0, iat= 112, 122, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 8 CYM HA 9 ALA QB 4.67 &rst ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 126, 127, 128, &end # # 9 ALA H 10 SER H 3.78 &rst ixpk= 0, nxpk= 0, iat= 122, 132, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 9 ALA H 10 SER HB2 4.83 &rst ixpk= 0, nxpk= 0, iat= 122, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 9 ALA H 9 ALA HA 2.76 &rst ixpk= 0, nxpk= 0, iat= 122, 124, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 9 ALA H 9 ALA QB 3.46 &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 126, 127, 128, &end # # 9 ALA QB 10 SER H 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 126, 127, 128, &end # # 10 SER H 10 SER HB2 3.17 &rst ixpk= 0, nxpk= 0, iat= 132, 136, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 10 SER H 10 SER HB3 3.88 &rst ixpk= 0, nxpk= 0, iat= 132, 137, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 10 SER HA 11 ARG H 2.87 &rst ixpk= 0, nxpk= 0, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 10 SER HB2 11 ARG H 4.61 &rst ixpk= 0, nxpk= 0, iat= 136, 143, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 10 SER HB3 11 ARG H 3.98 &rst ixpk= 0, nxpk= 0, iat= 137, 143, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 11 ARG H 11 ARG HB2 3.21 &rst ixpk= 0, nxpk= 0, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 11 ARG H 11 ARG QG 4.66 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 150, 151, &end # # 11 ARG HA 12 TYR H 2.94 &rst ixpk= 0, nxpk= 0, iat= 145, 167, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end # # 11 ARG HB3 11 ARG QD 2.98 &rst ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2= 153, 154, &end # # 11 ARG HB3 12 TYR H 3.75 &rst ixpk= 0, nxpk= 0, iat= 148, 167, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 11 ARG QG 12 TYR H 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 150, 151, &end # # 12 TYR H 12 TYR HB2 3.86 &rst ixpk= 0, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 12 TYR H 12 TYR HB3 3.68 &rst ixpk= 0, nxpk= 0, iat= 167, 172, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 12 TYR H 12 TYR QD 4.22 &rst ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 175, 184, &end # # 12 TYR H 13 PHE H 4.49 &rst ixpk= 0, nxpk= 0, iat= 167, 188, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 12 TYR HA 13 PHE QD 3.99 &rst ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 196, 204, &end # # 12 TYR QD 13 PHE HA 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 175, 184, &end # # 13 PHE H 13 PHE HB2 4.00 &rst ixpk= 0, nxpk= 0, iat= 188, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 13 PHE H 13 PHE HB3 3.90 &rst ixpk= 0, nxpk= 0, iat= 188, 193, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 13 PHE HB2 14 VAL H 4.38 &rst ixpk= 0, nxpk= 0, iat= 192, 208, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 13 PHE HB3 14 VAL H 4.64 &rst ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 13 PHE QD 14 VAL HA 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 196, 204, &end # # 14 VAL H 14 VAL HB 3.77 &rst ixpk= 0, nxpk= 0, iat= 208, 212, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 14 VAL H 14 VAL QG2 4.09 &rst ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 218, 219, 220, &end # # 14 VAL H 14 VAL QQG 4.20 &rst ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 214, 215, 216, 218, 219, 220, &end # # 14 VAL H 15 ASP H 4.44 &rst ixpk= 0, nxpk= 0, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 14 VAL HA 14 VAL QQG 3.31 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 214, 215, 216, 218, 219, 220, &end # # 14 VAL HA 15 ASP H 2.77 &rst ixpk= 0, nxpk= 0, iat= 210, 224, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end # # 14 VAL HB 15 ASP H 3.89 &rst ixpk= 0, nxpk= 0, iat= 212, 224, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 14 VAL HB 18 LYS HG2 3.85 &rst ixpk= 0, nxpk= 0, iat= 212, 266, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 14 VAL QG2 15 ASP H 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 218, 219, 220, &end # # 14 VAL QQG 15 ASP H 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 214, 215, 216, 218, 219, 220, &end # # 14 VAL QQG 18 LYS HE3 4.72 &rst ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 214, 215, 216, 218, 219, 220, &end # # 14 VAL QQG 18 LYS HG2 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1= 214, 215, 216, 218, 219, 220, &end # # 14 VAL QQG 18 LYS QB 3.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 214, 215, 216, 218, 219, 220, igr2= 263, 264, &end # # 15 ASP H 15 ASP HA 2.74 &rst ixpk= 0, nxpk= 0, iat= 224, 226, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 15 ASP H 15 ASP QB 2.89 &rst ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 228, 229, &end # # 15 ASP HA 15 ASP QB 2.91 &rst ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2= 228, 229, &end # # 15 ASP HA 16 ASP H 2.63 &rst ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end # # 15 ASP QB 16 ASP H 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 228, 229, &end # # 15 ASP QB 18 LYS H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 228, 229, &end # # 15 ASP QB 18 LYS QB 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 228, 229, igr2= 263, 264, &end # # 16 ASP H 16 ASP QB 2.96 &rst ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2= 240, 241, &end # # 16 ASP H 17 SER H 3.68 &rst ixpk= 0, nxpk= 0, iat= 236, 248, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 16 ASP HA 16 ASP QB 3.01 &rst ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 240, 241, &end # # 16 ASP HA 19 VAL H 4.40 &rst ixpk= 0, nxpk= 0, iat= 238, 281, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 16 ASP HA 19 VAL HB 4.43 &rst ixpk= 0, nxpk= 0, iat= 238, 285, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 16 ASP HA 19 VAL QG2 4.59 &rst ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 291, 292, 293, &end # # 16 ASP QB 17 SER H 3.41 &rst ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr1= 240, 241, &end # # 16 ASP QB 17 SER HA 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 240, 241, &end # # 17 SER H 17 SER QB 3.21 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 252, 253, &end # # 17 SER H 18 LYS H 3.43 &rst ixpk= 0, nxpk= 0, iat= 248, 259, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 17 SER HA 17 SER QB 2.80 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 252, 253, &end # # 17 SER HA 19 VAL H 4.25 &rst ixpk= 0, nxpk= 0, iat= 250, 281, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 17 SER QB 18 LYS H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 252, 253, &end # # 18 LYS H 18 LYS HG2 4.41 &rst ixpk= 0, nxpk= 0, iat= 259, 266, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 18 LYS H 18 LYS HG3 4.27 &rst ixpk= 0, nxpk= 0, iat= 259, 267, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 18 LYS H 18 LYS QB 3.06 &rst ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 263, 264, &end # # 18 LYS H 18 LYS QD 4.21 &rst ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 269, 270, &end # # 18 LYS H 19 VAL H 3.32 &rst ixpk= 0, nxpk= 0, iat= 259, 281, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 18 LYS HA 18 LYS HE2 4.69 &rst ixpk= 0, nxpk= 0, iat= 261, 272, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 18 LYS HA 18 LYS HG2 4.06 &rst ixpk= 0, nxpk= 0, iat= 261, 266, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 18 LYS HA 18 LYS HG3 3.66 &rst ixpk= 0, nxpk= 0, iat= 261, 267, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 18 LYS HA 18 LYS QB 2.93 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 263, 264, &end # # 18 LYS HA 18 LYS QD 2.83 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, igr2= 269, 270, &end # # 18 LYS HG2 18 LYS HE2 4.07 &rst ixpk= 0, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 18 LYS HG2 18 LYS HE3 3.87 &rst ixpk= 0, nxpk= 0, iat= 266, 273, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 18 LYS HG2 18 LYS QD 2.41 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, igr2= 269, 270, &end # # 18 LYS HG3 18 LYS HE2 4.01 &rst ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 18 LYS HG3 18 LYS QD 2.79 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, igr2= 269, 270, &end # # 18 LYS QB 18 LYS HE3 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 263, 264, &end # # 19 VAL H 19 VAL HB 3.71 &rst ixpk= 0, nxpk= 0, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 19 VAL H 19 VAL QG1 4.18 &rst ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 287, 288, 289, &end # # 19 VAL H 19 VAL QG2 3.83 &rst ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 291, 292, 293, &end # # 19 VAL HA 19 VAL QG1 3.26 &rst ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2= 287, 288, 289, &end # # 19 VAL HA 19 VAL QG2 3.40 &rst ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr2= 291, 292, 293, &end # # 19 VAL HA 20 GLY H 2.67 &rst ixpk= 0, nxpk= 0, iat= 283, 297, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end # # 19 VAL HA 24 ARG HB2 3.56 &rst ixpk= 0, nxpk= 0, iat= 283, 341, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 19 VAL HA 24 ARG HB3 3.70 &rst ixpk= 0, nxpk= 0, iat= 283, 342, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 19 VAL QG1 20 GLY H 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 287, 288, 289, &end # # 19 VAL QG1 23 GLY H 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 287, 288, 289, &end # # 19 VAL QG1 23 GLY HA2 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 287, 288, 289, &end # # 19 VAL QG1 23 GLY HA3 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 287, 288, 289, &end # # 19 VAL QG1 24 ARG H 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 287, 288, 289, &end # # 19 VAL QG1 26 VAL QG1 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 287, 288, 289, igr2= 383, 384, 385, &end # # 19 VAL QG1 37 ALA QB 3.24 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 287, 288, 289, igr2= 545, 546, 547, &end # # 19 VAL QG1 38 PHE H 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 287, 288, 289, &end # # 19 VAL QG1 38 PHE HA 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 287, 288, 289, &end # # 19 VAL QG1 39 LYS H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 287, 288, 289, &end # # 19 VAL QG1 39 LYS HA 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 287, 288, 289, &end # # 19 VAL QG2 20 GLY H 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 291, 292, 293, &end # # 19 VAL QG2 24 ARG HB3 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 291, 292, 293, &end # # 19 VAL QG2 26 VAL QG1 2.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr1= 291, 292, 293, igr2= 383, 384, 385, &end # # 19 VAL QG2 37 ALA QB 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr1= 291, 292, 293, igr2= 545, 546, 547, &end # # 20 GLY H 21 PRO HD2 4.60 &rst ixpk= 0, nxpk= 0, iat= 297, 305, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 20 GLY H 24 ARG HB2 4.58 &rst ixpk= 0, nxpk= 0, iat= 297, 341, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 20 GLY HA2 21 PRO HD2 3.42 &rst ixpk= 0, nxpk= 0, iat= 299, 305, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 20 GLY HA2 21 PRO HD3 3.56 &rst ixpk= 0, nxpk= 0, iat= 299, 306, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 20 GLY HA2 23 GLY H 4.60 &rst ixpk= 0, nxpk= 0, iat= 299, 330, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 20 GLY HA3 21 PRO HD2 3.36 &rst ixpk= 0, nxpk= 0, iat= 300, 305, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 20 GLY HA3 21 PRO HD3 2.89 &rst ixpk= 0, nxpk= 0, iat= 300, 306, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end # # 20 GLY HA3 22 ASP H 4.57 &rst ixpk= 0, nxpk= 0, iat= 300, 318, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 21 PRO HD2 22 ASP H 4.03 &rst ixpk= 0, nxpk= 0, iat= 305, 318, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 21 PRO QG 22 ASP H 3.59 &rst ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 308, 309, &end # # 22 ASP H 22 ASP HB2 3.93 &rst ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 22 ASP H 22 ASP HB3 3.33 &rst ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 22 ASP H 23 GLY H 3.14 &rst ixpk= 0, nxpk= 0, iat= 318, 330, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 22 ASP HB3 23 GLY H 4.49 &rst ixpk= 0, nxpk= 0, iat= 323, 330, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 23 GLY H 24 ARG H 4.32 &rst ixpk= 0, nxpk= 0, iat= 330, 337, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 23 GLY HA2 24 ARG H 3.18 &rst ixpk= 0, nxpk= 0, iat= 332, 337, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 23 GLY HA2 36 THR QG2 4.35 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 533, 534, 535, &end # # 23 GLY HA2 38 PHE HA 3.99 &rst ixpk= 0, nxpk= 0, iat= 332, 553, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 23 GLY HA2 38 PHE QD 4.48 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 559, 567, &end # # 23 GLY HA3 24 ARG H 3.32 &rst ixpk= 0, nxpk= 0, iat= 333, 337, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 23 GLY HA3 36 THR QG2 3.70 &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 533, 534, 535, &end # # 23 GLY HA3 38 PHE QD 4.27 &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2= 559, 567, &end # # 24 ARG H 24 ARG HB2 3.90 &rst ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 24 ARG H 24 ARG HB3 3.55 &rst ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 24 ARG H 36 THR HA 4.46 &rst ixpk= 0, nxpk= 0, iat= 337, 529, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 24 ARG H 36 THR QG2 3.59 &rst ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 533, 534, 535, &end # # 24 ARG H 37 ALA H 3.67 &rst ixpk= 0, nxpk= 0, iat= 337, 541, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 24 ARG H 37 ALA QB 4.37 &rst ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2= 545, 546, 547, &end # # 24 ARG HA 24 ARG HD3 3.80 &rst ixpk= 0, nxpk= 0, iat= 339, 348, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 24 ARG HA 25 VAL H 2.85 &rst ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 24 ARG HA 25 VAL QG1 4.33 &rst ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 367, 368, 369, &end # # 24 ARG HA 36 THR QG2 4.75 &rst ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 533, 534, 535, &end # # 24 ARG HB2 25 VAL H 4.41 &rst ixpk= 0, nxpk= 0, iat= 341, 361, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 24 ARG HB3 25 VAL H 3.83 &rst ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 24 ARG HB3 37 ALA QB 3.78 &rst ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 545, 546, 547, &end # # 24 ARG HD3 25 VAL H 4.73 &rst ixpk= 0, nxpk= 0, iat= 348, 361, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 25 VAL H 25 VAL HB 3.08 &rst ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 25 VAL H 25 VAL QG1 3.14 &rst ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 367, 368, 369, &end # # 25 VAL H 25 VAL QG2 4.65 &rst ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 371, 372, 373, &end # # 25 VAL H 36 THR HA 4.58 &rst ixpk= 0, nxpk= 0, iat= 361, 529, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 25 VAL HA 25 VAL QG1 3.17 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 367, 368, 369, &end # # 25 VAL HA 25 VAL QG2 3.23 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 371, 372, 373, &end # # 25 VAL HA 26 VAL H 2.71 &rst ixpk= 0, nxpk= 0, iat= 363, 377, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end # # 25 VAL HA 26 VAL QG2 4.78 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 387, 388, 389, &end # # 25 VAL HA 36 THR QG2 4.25 &rst ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2= 533, 534, 535, &end # # 25 VAL HA 37 ALA H 3.94 &rst ixpk= 0, nxpk= 0, iat= 363, 541, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 25 VAL QG1 26 VAL H 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 367, 368, 369, &end # # 25 VAL QG1 36 THR HA 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 367, 368, 369, &end # # 25 VAL QG2 26 VAL H 3.34 &rst ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1= 371, 372, 373, &end # # 25 VAL QG2 26 VAL QG2 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 371, 372, 373, igr2= 387, 388, 389, &end # # 25 VAL QG2 34 ARG HB2 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 371, 372, 373, &end # # 25 VAL QG2 34 ARG QD 3.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 371, 372, 373, igr2= 489, 490, &end # # 25 VAL QG2 34 ARG QG 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 371, 372, 373, igr2= 486, 487, &end # # 25 VAL QG2 35 TRP H 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 371, 372, 373, &end # # 25 VAL QG2 36 THR HA 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 371, 372, 373, &end # # 26 VAL H 26 VAL QG1 4.18 &rst ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 383, 384, 385, &end # # 26 VAL H 26 VAL QG2 3.81 &rst ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 387, 388, 389, &end # # 26 VAL H 27 ARG H 4.58 &rst ixpk= 0, nxpk= 0, iat= 377, 393, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 26 VAL H 36 THR HA 3.91 &rst ixpk= 0, nxpk= 0, iat= 377, 529, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 26 VAL H 37 ALA H 4.11 &rst ixpk= 0, nxpk= 0, iat= 377, 541, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 26 VAL HA 27 ARG H 3.42 &rst ixpk= 0, nxpk= 0, iat= 379, 393, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 26 VAL HB 27 ARG H 3.52 &rst ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 26 VAL QG1 27 ARG H 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 383, 384, 385, &end # # 26 VAL QG1 37 ALA H 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 383, 384, 385, &end # # 26 VAL QG1 37 ALA QB 3.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 383, 384, 385, igr2= 545, 546, 547, &end # # 26 VAL QG2 27 ARG H 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 387, 388, 389, &end # # 26 VAL QG2 35 TRP H 4.43 &rst ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 387, 388, 389, &end # # 26 VAL QG2 37 ALA H 5.05 &rst ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 387, 388, 389, &end # # 26 VAL QG2 37 ALA QB 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 387, 388, 389, igr2= 545, 546, 547, &end # # 27 ARG H 27 ARG HB2 3.86 &rst ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 27 ARG H 27 ARG HB3 3.80 &rst ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 27 ARG HA 27 ARG QD 4.17 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 403, 404, &end # # 27 ARG HA 27 ARG QG 4.12 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 400, 401, &end # # 27 ARG HA 28 CYM H 2.91 &rst ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 27 ARG HA 34 ARG HA 3.31 &rst ixpk= 0, nxpk= 0, iat= 395, 481, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 27 ARG HA 34 ARG QG 4.28 &rst ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 486, 487, &end # # 27 ARG HA 35 TRP H 4.15 &rst ixpk= 0, nxpk= 0, iat= 395, 503, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 27 ARG HB2 27 ARG QD 2.89 &rst ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 403, 404, &end # # 27 ARG HB3 27 ARG QD 3.26 &rst ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2= 403, 404, &end # # 27 ARG QD 28 CYM H 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 403, 404, &end # # 27 ARG QG 28 CYM H 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 400, 401, &end # # 28 CYM H 28 CYM QB 3.14 &rst ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 422, 421, &end # # 28 CYM H 33 ASN H 4.38 &rst ixpk= 0, nxpk= 0, iat= 417, 465, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 28 CYM H 34 ARG HA 4.02 &rst ixpk= 0, nxpk= 0, iat= 417, 481, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 28 CYM H 35 TRP HZ3 3.89 &rst ixpk= 0, nxpk= 0, iat= 417, 520, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 28 CYM HA 29 ALA H 3.14 &rst ixpk= 0, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 28 CYM QB 31 CYM H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 422, 421, &end # # 28 CYM QB 31 CYM HB3 4.35 &rst ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 422, 421, &end # # 28 CYM QB 32 GLY H 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 422, 421, &end # # 28 CYM QB 33 ASN H 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1= 422, 421, &end # # 28 CYM QB 33 ASN HB2 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 422, 421, &end # # 28 CYM QB 35 TRP HH2 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 422, 421, &end # # 28 CYM QB 35 TRP HZ3 3.66 &rst ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 422, 421, &end # # 29 ALA H 29 ALA QB 3.34 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2= 431, 432, 433, &end # # 29 ALA H 30 SER H 4.00 &rst ixpk= 0, nxpk= 0, iat= 427, 437, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 29 ALA QB 30 SER H 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 431, 432, 433, &end # # 29 ALA QB 30 SER HA 3.91 &rst ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 431, 432, 433, &end # # 30 SER H 30 SER HB2 3.79 &rst ixpk= 0, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 30 SER H 30 SER HB3 3.57 &rst ixpk= 0, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 30 SER H 31 CYM H 3.75 &rst ixpk= 0, nxpk= 0, iat= 437, 448, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 30 SER HB2 31 CYM H 3.36 &rst ixpk= 0, nxpk= 0, iat= 441, 448, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 30 SER HB3 31 CYM H 4.00 &rst ixpk= 0, nxpk= 0, iat= 442, 448, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 31 CYM H 31 CYM HB3 3.89 &rst ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 31 CYM H 32 GLY H 3.19 &rst ixpk= 0, nxpk= 0, iat= 448, 458, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 32 GLY H 33 ASN H 3.69 &rst ixpk= 0, nxpk= 0, iat= 458, 465, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 32 GLY H 33 ASN HB2 4.69 &rst ixpk= 0, nxpk= 0, iat= 458, 469, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 33 ASN H 33 ASN HB2 3.38 &rst ixpk= 0, nxpk= 0, iat= 465, 469, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 33 ASN H 33 ASN HB3 3.15 &rst ixpk= 0, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 33 ASN HA 34 ARG H 2.86 &rst ixpk= 0, nxpk= 0, iat= 467, 479, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 33 ASN HB2 33 ASN HD21 4.05 &rst ixpk= 0, nxpk= 0, iat= 469, 475, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 33 ASN HB2 33 ASN HD22 3.81 &rst ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 33 ASN HB2 34 ARG H 4.60 &rst ixpk= 0, nxpk= 0, iat= 469, 479, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 33 ASN HB3 33 ASN HD22 4.01 &rst ixpk= 0, nxpk= 0, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 33 ASN HB3 34 ARG H 4.09 &rst ixpk= 0, nxpk= 0, iat= 470, 479, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 34 ARG H 34 ARG HB2 3.37 &rst ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 34 ARG H 34 ARG HB3 4.04 &rst ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 34 ARG HA 34 ARG QD 4.42 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 489, 490, &end # # 34 ARG HA 34 ARG QG 4.05 &rst ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 486, 487, &end # # 34 ARG HA 35 TRP H 2.86 &rst ixpk= 0, nxpk= 0, iat= 481, 503, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 34 ARG HA 35 TRP HE3 3.88 &rst ixpk= 0, nxpk= 0, iat= 481, 522, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 34 ARG HB2 34 ARG QD 3.69 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 489, 490, &end # # 34 ARG HB2 34 ARG QG 2.67 &rst ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr2= 486, 487, &end # # 34 ARG HB2 35 TRP H 4.16 &rst ixpk= 0, nxpk= 0, iat= 483, 503, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 34 ARG HB3 34 ARG QD 3.92 &rst ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 489, 490, &end # # 34 ARG QG 35 TRP H 4.45 &rst ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1= 486, 487, &end # # 35 TRP H 35 TRP HB3 4.14 &rst ixpk= 0, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 35 TRP H 35 TRP HE3 3.58 &rst ixpk= 0, nxpk= 0, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 35 TRP HA 35 TRP HB2 2.87 &rst ixpk= 0, nxpk= 0, iat= 505, 507, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 35 TRP HA 35 TRP HD1 4.60 &rst ixpk= 0, nxpk= 0, iat= 505, 511, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 35 TRP HA 36 THR H 3.09 &rst ixpk= 0, nxpk= 0, iat= 505, 527, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 35 TRP HB2 36 THR H 3.89 &rst ixpk= 0, nxpk= 0, iat= 507, 527, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 35 TRP HB3 36 THR H 4.05 &rst ixpk= 0, nxpk= 0, iat= 508, 527, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 35 TRP HD1 36 THR H 3.80 &rst ixpk= 0, nxpk= 0, iat= 511, 527, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 35 TRP HD1 37 ALA HA 3.89 &rst ixpk= 0, nxpk= 0, iat= 511, 543, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 35 TRP HD1 37 ALA QB 4.48 &rst ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 545, 546, 547, &end # # 35 TRP HE1 37 ALA HA 4.26 &rst ixpk= 0, nxpk= 0, iat= 513, 543, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 35 TRP HE1 37 ALA QB 4.28 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 545, 546, 547, &end # # 36 THR H 36 THR HB 3.11 &rst ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 36 THR H 36 THR QG2 4.65 &rst ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 533, 534, 535, &end # # 36 THR HA 36 THR QG2 3.30 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 533, 534, 535, &end # # 36 THR HA 37 ALA H 2.82 &rst ixpk= 0, nxpk= 0, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end # # 36 THR HA 37 ALA QB 4.52 &rst ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 545, 546, 547, &end # # 36 THR HB 37 ALA H 4.18 &rst ixpk= 0, nxpk= 0, iat= 531, 541, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 36 THR HB 38 PHE QD 4.08 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 559, 567, &end # # 36 THR QG2 37 ALA H 3.60 &rst ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 533, 534, 535, &end # # 36 THR QG2 38 PHE QD 3.55 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 533, 534, 535, igr2= 559, 567, &end # # 37 ALA H 37 ALA QB 3.32 &rst ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2= 545, 546, 547, &end # # 37 ALA HA 38 PHE H 2.83 &rst ixpk= 0, nxpk= 0, iat= 543, 551, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 37 ALA QB 38 PHE H 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 545, 546, 547, &end # # 38 PHE H 38 PHE HB2 4.00 &rst ixpk= 0, nxpk= 0, iat= 551, 555, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 38 PHE H 38 PHE HB3 3.51 &rst ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 38 PHE H 38 PHE QD 4.06 &rst ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 559, 567, &end # # 38 PHE HA 38 PHE QD 3.99 &rst ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 559, 567, &end # # 38 PHE HA 39 LYS H 3.10 &rst ixpk= 0, nxpk= 0, iat= 553, 571, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 38 PHE HB2 39 LYS H 3.54 &rst ixpk= 0, nxpk= 0, iat= 555, 571, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 38 PHE HB3 39 LYS H 4.32 &rst ixpk= 0, nxpk= 0, iat= 556, 571, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 39 LYS H 39 LYS HB2 3.70 &rst ixpk= 0, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 39 LYS H 39 LYS HB3 3.19 &rst ixpk= 0, nxpk= 0, iat= 571, 576, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 39 LYS H 39 LYS QG 4.08 &rst ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 578, 579, &end # # 39 LYS HA 39 LYS HB3 3.05 &rst ixpk= 0, nxpk= 0, iat= 573, 576, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 39 LYS HA 39 LYS HD2 4.62 &rst ixpk= 0, nxpk= 0, iat= 573, 581, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 39 LYS HA 39 LYS HE2 4.01 &rst ixpk= 0, nxpk= 0, iat= 573, 584, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 39 LYS HA 39 LYS QG 3.39 &rst ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 578, 579, &end # # 39 LYS HA 40 ASP H 2.83 &rst ixpk= 0, nxpk= 0, iat= 573, 593, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 39 LYS HA 40 ASP HB3 4.42 &rst ixpk= 0, nxpk= 0, iat= 573, 598, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 39 LYS HB3 39 LYS HD2 4.11 &rst ixpk= 0, nxpk= 0, iat= 576, 581, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 39 LYS HB3 40 ASP H 4.01 &rst ixpk= 0, nxpk= 0, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 39 LYS HE2 40 ASP H 4.33 &rst ixpk= 0, nxpk= 0, iat= 584, 593, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 39 LYS QG 40 ASP H 4.62 &rst ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 578, 579, &end # # 39 LYS QG 40 ASP HA 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 578, 579, &end # # 39 LYS QG 40 ASP HB2 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 578, 579, &end # # 40 ASP H 40 ASP HB2 3.46 &rst ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 40 ASP H 40 ASP HB3 3.68 &rst ixpk= 0, nxpk= 0, iat= 593, 598, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 40 ASP H 41 GLU HA 4.38 &rst ixpk= 0, nxpk= 0, iat= 593, 607, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 40 ASP H 42 ALA H 4.35 &rst ixpk= 0, nxpk= 0, iat= 593, 620, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 40 ASP HA 42 ALA H 4.06 &rst ixpk= 0, nxpk= 0, iat= 595, 620, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 40 ASP HB3 41 GLU H 4.03 &rst ixpk= 0, nxpk= 0, iat= 598, 605, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 41 GLU H 41 GLU HB2 3.45 &rst ixpk= 0, nxpk= 0, iat= 605, 609, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 41 GLU H 41 GLU HB3 3.75 &rst ixpk= 0, nxpk= 0, iat= 605, 610, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 41 GLU H 41 GLU QG 3.67 &rst ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 612, 613, &end # # 41 GLU H 42 ALA H 2.98 &rst ixpk= 0, nxpk= 0, iat= 605, 620, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 41 GLU H 42 ALA QB 4.87 &rst ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 624, 625, 626, &end # # 41 GLU HA 41 GLU QG 3.51 &rst ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 612, 613, &end # # 41 GLU HB3 41 GLU QG 2.78 &rst ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr2= 612, 613, &end # # 41 GLU HB3 42 ALA H 4.65 &rst ixpk= 0, nxpk= 0, iat= 610, 620, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 41 GLU HB3 42 ALA QB 3.52 &rst ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 624, 625, 626, &end # # 42 ALA H 42 ALA HA 2.87 &rst ixpk= 0, nxpk= 0, iat= 620, 622, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 42 ALA H 42 ALA QB 3.29 &rst ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 624, 625, 626, &end # # 42 ALA H 43 GLU HB2 4.70 &rst ixpk= 0, nxpk= 0, iat= 620, 634, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 42 ALA HA 43 GLU H 2.85 &rst ixpk= 0, nxpk= 0, iat= 622, 630, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 42 ALA QB 43 GLU H 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 624, 625, 626, &end # # 43 GLU H 43 GLU HB2 3.42 &rst ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 43 GLU H 43 GLU HB3 3.29 &rst ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 43 GLU H 43 GLU QG 4.68 &rst ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2= 637, 638, &end # # 43 GLU HA 43 GLU HB2 2.97 &rst ixpk= 0, nxpk= 0, iat= 632, 634, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 43 GLU HA 43 GLU QG 3.18 &rst ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2= 637, 638, &end # # 43 GLU HB2 43 GLU QG 2.40 &rst ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, igr2= 637, 638, &end # # 43 GLU HB3 43 GLU QG 2.40 &rst ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, igr2= 637, 638, &end # # 31 CYM SG 5 CYM SG 3.6 &rst ixpk= 0, nxpk= 0, iat= 454, 79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, rk2=20, rk3=20, ir6=1, ialtd=0, &end # # 31 CYM SG 8 CYM SG 3.6 &rst ixpk= 0, nxpk= 0, iat= 454, 118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 31 CYM SG 28 CYM SG 3.6 &rst ixpk= 0, nxpk= 0, iat= 454, 423, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 5 CYM SG 8 CYM SG 3.6 &rst ixpk= 0, nxpk= 0, iat= 79, 118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 5 CYM SG 28 CYM SG 3.6 &rst ixpk= 0, nxpk= 0, iat= 79, 423, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 8 CYM SG 28 CYM SG 3.6 &rst ixpk= 0, nxpk= 0, iat= 118, 423, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 31 CYM SG 8 CYM SG 3.9 &rst ixpk= 0, nxpk= 0, iat= 454, 118, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, rk2=20, rk3=20, ir6=1, ialtd=0, &end # # 31 CYM SG 28 CYM SG 3.9 &rst ixpk= 0, nxpk= 0, iat= 454, 423, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 8 CYM SG 28 CYM SG 3.9 &rst ixpk= 0, nxpk= 0, iat= 118, 423, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end #
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