NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
20705 | 2gcf | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
# # 3 GLN HN 3 GLN QG 6.88 &rst ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, rk2=50.0, rk3=50.0, ir6=1, ialtd=0, igr2= 38, 39, &end # # 3 GLN HA 4 THR HN 3.50 &rst ixpk= 0, nxpk= 0, iat= 33, 48, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 GLN QB 47 TYR QD 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.34, r4=11.84, igr1= 35, 36, igr2= 687, 696, &end # # 3 GLN QB 47 TYR QE 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.34, r4=11.84, igr1= 35, 36, igr2= 689, 694, &end # # 3 GLN HG2 4 THR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 38, 48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 3 GLN HG2 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 3 GLN HG3 4 THR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 39, 48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 3 GLN HG3 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 3 GLN QG 47 TYR QE 8.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 38, 39, igr2= 689, 694, &end # # 3 GLN QG 56 LEU QQD 9.45 &rst ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11, igr1= 38, 39, &end # # 4 THR HN 4 THR HB 4.20 &rst ixpk= 0, nxpk= 0, iat= 48, 52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 4 THR HN 4 THR QG2 4.90 &rst ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 54, 55, 56, &end # # 4 THR HN 5 ILE QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 68, 69, 70, &end # # 4 THR HN 5 ILE QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 75, 76, 77, &end # # 4 THR HN 46 SER QB 6.48 &rst ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2= 672, 673, &end # # 4 THR HA 45 VAL HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 50, 652, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 4 THR HA 45 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 50, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 4 THR HA 46 SER HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 50, 668, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 4 THR HA 46 SER HA 4.00 &rst ixpk= 0, nxpk= 0, iat= 50, 670, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 4 THR HA 46 SER QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 672, 673, &end # # 4 THR HA 47 TYR HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 50, 679, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 4 THR HA 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 4 THR HA 47 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 689, 694, &end # # 4 THR HB 5 ILE HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 52, 62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 4 THR HB 5 ILE QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 75, 76, 77, &end # # 4 THR HB 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 52, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 4 THR HB 45 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 658, 659, 660, &end # # 4 THR HB 45 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 662, 663, 664, &end # # 4 THR HB 46 SER HA 5.90 &rst ixpk= 0, nxpk= 0, iat= 52, 670, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 4 THR HB 46 SER HB2 2.60 &rst ixpk= 0, nxpk= 0, iat= 52, 672, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 4 THR HB 46 SER HB3 2.60 &rst ixpk= 0, nxpk= 0, iat= 52, 673, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 4 THR HB 46 SER QB 2.34 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, igr2= 672, 673, &end # # 4 THR HB 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 4 THR HB 47 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 689, 694, &end # # 4 THR QG2 5 ILE HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 54, 55, 56, &end # # 4 THR QG2 45 VAL HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 54, 55, 56, &end # # 4 THR QG2 46 SER HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 54, 55, 56, &end # # 4 THR QG2 46 SER HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 54, 55, 56, &end # # 4 THR QG2 46 SER HB2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 54, 55, 56, &end # # 4 THR QG2 46 SER HB3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 54, 55, 56, &end # # 4 THR QG2 47 TYR QD 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 54, 55, 56, igr2= 687, 696, &end # # 4 THR QG2 47 TYR QE 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 54, 55, 56, igr2= 689, 694, &end # # 5 ILE HN 5 ILE HG12 4.80 &rst ixpk= 0, nxpk= 0, iat= 62, 72, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 5 ILE HN 5 ILE HG13 4.80 &rst ixpk= 0, nxpk= 0, iat= 62, 73, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 5 ILE HN 5 ILE QG1 4.62 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 72, 73, &end # # 5 ILE HN 5 ILE QD1 4.40 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 75, 76, 77, &end # # 5 ILE HN 6 ASN HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 62, 81, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 5 ILE HN 7 LEU QQD 8.57 &rst ixpk= 0, nxpk= 0, iat= 62, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 5 ILE HN 45 VAL HN 4.30 &rst ixpk= 0, nxpk= 0, iat= 62, 652, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 5 ILE HN 45 VAL HB 5.60 &rst ixpk= 0, nxpk= 0, iat= 62, 656, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 5 ILE HN 45 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 62, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 5 ILE HN 46 SER HA 4.20 &rst ixpk= 0, nxpk= 0, iat= 62, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 5 ILE HN 46 SER QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 672, 673, &end # # 5 ILE HA 5 ILE QD1 4.80 &rst ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2= 75, 76, 77, &end # # 5 ILE HA 7 LEU QQD 8.57 &rst ixpk= 0, nxpk= 0, iat= 64, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 5 ILE HA 47 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 689, 694, &end # # 5 ILE HB 6 ASN HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 66, 81, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 5 ILE HB 45 VAL HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 66, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 5 ILE HB 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 5 ILE HB 47 TYR QE 7.60 &rst ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03, igr2= 689, 694, &end # # 5 ILE QG2 6 ASN HN 6.60 &rst ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 68, 69, 70, &end # # 5 ILE QG2 69 VAL HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 68, 69, 70, &end # # 5 ILE HG12 6 ASN HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 72, 81, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 5 ILE HG12 47 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 689, 694, &end # # 5 ILE HG13 6 ASN HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 73, 81, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 5 ILE HG13 47 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 689, 694, &end # # 5 ILE QG1 6 ASN QD2 7.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1= 72, 73, igr2= 90, 91, &end # # 5 ILE QG1 7 LEU QQD 9.45 &rst ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11, igr1= 72, 73, &end # # 5 ILE QG1 47 TYR QD 8.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 72, 73, igr2= 687, 696, &end # # 5 ILE QD1 6 ASN HN 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 75, 76, 77, &end # # 5 ILE QD1 6 ASN HD21 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 75, 76, 77, &end # # 5 ILE QD1 6 ASN HD22 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 75, 76, 77, &end # # 5 ILE QD1 7 LEU QQD 9.57 &rst ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3=11.49, r4=11.99, igr1= 75, 76, 77, &end # # 5 ILE QD1 45 VAL HB 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 75, 76, 77, &end # # 5 ILE QD1 45 VAL QQG 8.96 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26, igr1= 75, 76, 77, &end # # 5 ILE QD1 47 TYR QD 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 75, 76, 77, igr2= 687, 696, &end # # 5 ILE QD1 47 TYR QE 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 75, 76, 77, igr2= 689, 694, &end # # 6 ASN HN 7 LEU QB 5.98 &rst ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr2= 99, 100, &end # # 6 ASN HN 7 LEU QQD 8.57 &rst ixpk= 0, nxpk= 0, iat= 81, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 6 ASN HA 6 ASN HD21 5.30 &rst ixpk= 0, nxpk= 0, iat= 83, 90, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 6 ASN HA 6 ASN HD22 5.30 &rst ixpk= 0, nxpk= 0, iat= 83, 91, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 6 ASN HA 6 ASN QD2 4.98 &rst ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2= 90, 91, &end # # 6 ASN HA 7 LEU HN 3.60 &rst ixpk= 0, nxpk= 0, iat= 83, 95, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 6 ASN HA 7 LEU HA 5.60 &rst ixpk= 0, nxpk= 0, iat= 83, 97, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 6 ASN HA 7 LEU QB 5.88 &rst ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr2= 99, 100, &end # # 6 ASN HA 7 LEU QQD 8.57 &rst ixpk= 0, nxpk= 0, iat= 83, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 6 ASN HA 42 GLN QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 613, 614, &end # # 6 ASN HA 43 ALA HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 83, 626, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 6 ASN HA 44 VAL HA 3.70 &rst ixpk= 0, nxpk= 0, iat= 83, 638, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 6 ASN HA 44 VAL HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 83, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 6 ASN HA 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 83, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 6 ASN HA 45 VAL HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 83, 652, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 6 ASN HA 45 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 83, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 6 ASN HB2 7 LEU HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 85, 95, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 6 ASN HB2 44 VAL HA 5.70 &rst ixpk= 0, nxpk= 0, iat= 85, 638, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 6 ASN HB2 44 VAL HB 5.10 &rst ixpk= 0, nxpk= 0, iat= 85, 640, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 6 ASN HB2 44 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 642, 643, 644, &end # # 6 ASN HB2 44 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 646, 647, 648, &end # # 6 ASN HB3 7 LEU HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 86, 95, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 6 ASN HB3 44 VAL HA 5.70 &rst ixpk= 0, nxpk= 0, iat= 86, 638, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 6 ASN HB3 44 VAL HB 5.10 &rst ixpk= 0, nxpk= 0, iat= 86, 640, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 6 ASN HB3 44 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 642, 643, 644, &end # # 6 ASN HB3 44 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 646, 647, 648, &end # # 6 ASN QB 7 LEU HN 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 85, 86, &end # # 6 ASN QB 44 VAL HA 5.24 &rst ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 85, 86, &end # # 6 ASN QB 44 VAL HB 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 85, 86, &end # # 6 ASN HD21 7 LEU HB2 7.75 &rst ixpk= 0, nxpk= 0, iat= 90, 99, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 6 ASN HD21 7 LEU HB3 7.75 &rst ixpk= 0, nxpk= 0, iat= 90, 100, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 6 ASN HD21 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 6 ASN HD21 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 6 ASN HD22 7 LEU HB2 7.75 &rst ixpk= 0, nxpk= 0, iat= 91, 99, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 6 ASN HD22 7 LEU HB3 7.75 &rst ixpk= 0, nxpk= 0, iat= 91, 100, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 6 ASN HD22 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 6 ASN HD22 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 6 ASN QD2 7 LEU QB 6.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09, igr1= 90, 91, igr2= 99, 100, &end # # 6 ASN QD2 7 LEU QQD 9.14 &rst ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76, igr1= 90, 91, &end # # 6 ASN QD2 44 VAL HB 6.87 &rst ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1= 90, 91, &end # # 6 ASN QD2 44 VAL QQG 7.94 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41, igr1= 90, 91, &end # # 7 LEU HN 7 LEU HB2 4.00 &rst ixpk= 0, nxpk= 0, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 7 LEU HN 7 LEU HB3 4.00 &rst ixpk= 0, nxpk= 0, iat= 95, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 7 LEU HN 7 LEU QB 3.70 &rst ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2= 99, 100, &end # # 7 LEU HN 7 LEU HG 4.80 &rst ixpk= 0, nxpk= 0, iat= 95, 102, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 7 LEU HN 7 LEU QD1 5.40 &rst ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 104, 105, 106, &end # # 7 LEU HN 7 LEU QD2 5.40 &rst ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 108, 109, 110, &end # # 7 LEU HN 7 LEU QQD 4.96 &rst ixpk= 0, nxpk= 0, iat= 95, 101, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 7 LEU HN 8 GLN HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 95, 114, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 7 LEU HN 8 GLN HA 5.30 &rst ixpk= 0, nxpk= 0, iat= 95, 116, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 7 LEU HN 42 GLN HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 95, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HN 43 ALA HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 95, 626, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 7 LEU HN 43 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 630, 631, 632, &end # # 7 LEU HN 44 VAL HA 5.90 &rst ixpk= 0, nxpk= 0, iat= 95, 638, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 7 LEU HN 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 95, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 7 LEU HA 7 LEU HG 4.00 &rst ixpk= 0, nxpk= 0, iat= 97, 102, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 7 LEU HA 7 LEU QD1 5.20 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2= 104, 105, 106, &end # # 7 LEU HA 7 LEU QD2 5.20 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2= 108, 109, 110, &end # # 7 LEU HA 8 GLN HN 3.60 &rst ixpk= 0, nxpk= 0, iat= 97, 114, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 7 LEU HA 8 GLN QB 6.78 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr2= 118, 119, &end # # 7 LEU HA 42 GLN HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 97, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HA 42 GLN HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 97, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HA 43 ALA HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 97, 626, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 7 LEU HA 69 VAL HA 4.50 &rst ixpk= 0, nxpk= 0, iat= 97,1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 LEU HA 70 LEU HN 3.50 &rst ixpk= 0, nxpk= 0, iat= 97,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 LEU HB2 8 GLN HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 99, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 7 LEU HB2 43 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 99, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HB3 8 GLN HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 100, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 7 LEU HB3 43 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 100, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU QB 8 GLN HN 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 99, 100, &end # # 7 LEU QB 8 GLN QE2 7.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1= 99, 100, igr2= 126, 127, &end # # 7 LEU QB 68 ARG HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 99, 100, &end # # 7 LEU QB 70 LEU HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 99, 100, &end # # 7 LEU HG 8 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 102, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HG 8 GLN HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 102, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HG 9 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 102, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HG 9 LEU HA 4.20 &rst ixpk= 0, nxpk= 0, iat= 102, 133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 7 LEU HG 42 GLN QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 613, 614, &end # # 7 LEU HG 43 ALA HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 102, 626, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 7 LEU HG 43 ALA QB 6.40 &rst ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr2= 630, 631, 632, &end # # 7 LEU HG 60 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 102, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 7 LEU HG 67 ALA HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 102, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HG 68 ARG HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 102, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 LEU HG 69 VAL HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 102,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU HG 70 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 102,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 7 LEU QD1 8 GLN HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 104, 105, 106, &end # # 7 LEU QD1 56 LEU QD1 11.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57, igr1= 104, 105, 106, igr2= 826, 827, 828, &end # # 7 LEU QD1 56 LEU QD2 11.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57, igr1= 104, 105, 106, igr2= 830, 831, 832, &end # # 7 LEU QD1 68 ARG HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 104, 105, 106, &end # # 7 LEU QD2 8 GLN HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 108, 109, 110, &end # # 7 LEU QD2 56 LEU QD1 11.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57, igr1= 108, 109, 110, igr2= 826, 827, 828, &end # # 7 LEU QD2 56 LEU QD2 11.14 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57, igr1= 108, 109, 110, igr2= 830, 831, 832, &end # # 7 LEU QD2 68 ARG HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 108, 109, 110, &end # # 7 LEU QQD 8 GLN QE2 9.44 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10, igr2= 126, 127, &end # # 7 LEU QQD 43 ALA HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 101, 626, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 7 LEU QQD 43 ALA QB 9.47 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87, igr2= 630, 631, 632, &end # # 7 LEU QQD 56 LEU QB 9.57 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24, igr2= 821, 822, &end # # 7 LEU QQD 56 LEU QQD 9.44 &rst ixpk= 0, nxpk= 0, iat= 101, 823, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, &end # # 7 LEU QQD 67 ALA HA 8.57 &rst ixpk= 0, nxpk= 0, iat= 101, 985, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 7 LEU QQD 67 ALA QB 9.57 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3=11.49, r4=11.99, igr2= 987, 988, 989, &end # # 7 LEU QQD 69 VAL HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 101,1017, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 7 LEU QQD 69 VAL HA 7.87 &rst ixpk= 0, nxpk= 0, iat= 101,1019, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37, &end # # 7 LEU QQD 70 LEU HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 101,1033, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 8 GLN HN 8 GLN HG2 5.20 &rst ixpk= 0, nxpk= 0, iat= 114, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 8 GLN HN 8 GLN HG3 5.20 &rst ixpk= 0, nxpk= 0, iat= 114, 122, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 8 GLN HN 42 GLN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 114, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 GLN HN 42 GLN HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 114, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HN 42 GLN HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 114, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HN 43 ALA HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 114, 626, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 8 GLN HN 67 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 987, 988, 989, &end # # 8 GLN HN 68 ARG HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 114, 993, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 8 GLN HN 68 ARG HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 114, 997, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HN 68 ARG HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 114, 998, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HN 68 ARG HG2 5.20 &rst ixpk= 0, nxpk= 0, iat= 114,1000, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 8 GLN HN 68 ARG HG3 5.20 &rst ixpk= 0, nxpk= 0, iat= 114,1001, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 8 GLN HN 68 ARG QG 5.03 &rst ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=1000,1001, &end # # 8 GLN HN 69 VAL HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 114,1017, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 8 GLN HN 69 VAL HA 5.30 &rst ixpk= 0, nxpk= 0, iat= 114,1019, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 8 GLN HN 70 LEU HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 114,1033, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 8 GLN HA 8 GLN HE21 6.00 &rst ixpk= 0, nxpk= 0, iat= 116, 126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HA 8 GLN HE22 6.00 &rst ixpk= 0, nxpk= 0, iat= 116, 127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HA 8 GLN QE2 5.59 &rst ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 126, 127, &end # # 8 GLN HA 9 LEU HA 5.10 &rst ixpk= 0, nxpk= 0, iat= 116, 133, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 8 GLN HA 42 GLN HA 4.40 &rst ixpk= 0, nxpk= 0, iat= 116, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 8 GLN HA 42 GLN QB 6.18 &rst ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr2= 613, 614, &end # # 8 GLN HA 68 ARG QB 6.08 &rst ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr2= 997, 998, &end # # 8 GLN HA 68 ARG HG2 5.00 &rst ixpk= 0, nxpk= 0, iat= 116,1000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 8 GLN HA 68 ARG HG3 5.00 &rst ixpk= 0, nxpk= 0, iat= 116,1001, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 8 GLN HA 68 ARG QG 4.77 &rst ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2=1000,1001, &end # # 8 GLN HB2 8 GLN HE21 7.05 &rst ixpk= 0, nxpk= 0, iat= 118, 126, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, &end # # 8 GLN HB2 8 GLN HE22 7.05 &rst ixpk= 0, nxpk= 0, iat= 118, 127, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, &end # # 8 GLN HB2 9 LEU HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 118, 131, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 8 GLN HB2 9 LEU HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 118, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HB2 68 ARG HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 118, 993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HB2 68 ARG HG2 5.30 &rst ixpk= 0, nxpk= 0, iat= 118,1000, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 8 GLN HB2 68 ARG HG3 5.30 &rst ixpk= 0, nxpk= 0, iat= 118,1001, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 8 GLN HB3 8 GLN HE21 7.05 &rst ixpk= 0, nxpk= 0, iat= 119, 126, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, &end # # 8 GLN HB3 8 GLN HE22 7.05 &rst ixpk= 0, nxpk= 0, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, &end # # 8 GLN HB3 9 LEU HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 8 GLN HB3 9 LEU HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 119, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HB3 68 ARG HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 119, 993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HB3 68 ARG HG2 5.30 &rst ixpk= 0, nxpk= 0, iat= 119,1000, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 8 GLN HB3 68 ARG HG3 5.30 &rst ixpk= 0, nxpk= 0, iat= 119,1001, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 8 GLN QB 42 GLN HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 118, 119, &end # # 8 GLN QB 68 ARG HN 5.55 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 118, 119, &end # # 8 GLN QB 68 ARG QG 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 118, 119, igr2=1000,1001, &end # # 8 GLN QB 68 ARG QD 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 118, 119, igr2=1003,1004, &end # # 8 GLN HG2 9 LEU HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 121, 131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 8 GLN HG2 42 GLN HA 3.20 &rst ixpk= 0, nxpk= 0, iat= 121, 611, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 8 GLN HG2 42 GLN HB2 6.05 &rst ixpk= 0, nxpk= 0, iat= 121, 613, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 8 GLN HG2 42 GLN HB3 6.05 &rst ixpk= 0, nxpk= 0, iat= 121, 614, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 8 GLN HG2 69 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2=1023,1024,1025, &end # # 8 GLN HG2 69 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2=1027,1028,1029, &end # # 8 GLN HG3 9 LEU HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 122, 131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 8 GLN HG3 42 GLN HA 3.20 &rst ixpk= 0, nxpk= 0, iat= 122, 611, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 8 GLN HG3 42 GLN HB2 6.05 &rst ixpk= 0, nxpk= 0, iat= 122, 613, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 8 GLN HG3 42 GLN HB3 6.05 &rst ixpk= 0, nxpk= 0, iat= 122, 614, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end # # 8 GLN HG3 69 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2=1023,1024,1025, &end # # 8 GLN HG3 69 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2=1027,1028,1029, &end # # 8 GLN QG 42 GLN QB 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 121, 122, igr2= 613, 614, &end # # 8 GLN QG 68 ARG HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 121, 122, &end # # 8 GLN QG 68 ARG QG 6.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, igr1= 121, 122, igr2=1000,1001, &end # # 8 GLN QG 69 VAL QQG 8.52 &rst ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr1= 121, 122, &end # # 8 GLN HE21 9 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HE21 68 ARG HG2 7.45 &rst ixpk= 0, nxpk= 0, iat= 126,1000, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, &end # # 8 GLN HE21 68 ARG HG3 7.45 &rst ixpk= 0, nxpk= 0, iat= 126,1001, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, &end # # 8 GLN HE22 9 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 127, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 8 GLN HE22 68 ARG HG2 7.45 &rst ixpk= 0, nxpk= 0, iat= 127,1000, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, &end # # 8 GLN HE22 68 ARG HG3 7.45 &rst ixpk= 0, nxpk= 0, iat= 127,1001, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, &end # # 8 GLN QE2 40 LEU HG 6.87 &rst ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1= 126, 127, &end # # 8 GLN QE2 42 GLN QB 7.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1= 126, 127, igr2= 613, 614, &end # # 8 GLN QE2 68 ARG QB 7.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1= 126, 127, igr2= 997, 998, &end # # 8 GLN QE2 68 ARG QG 6.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79, igr1= 126, 127, igr2=1000,1001, &end # # 9 LEU HN 9 LEU HB2 4.10 &rst ixpk= 0, nxpk= 0, iat= 131, 135, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 9 LEU HN 9 LEU HB3 4.10 &rst ixpk= 0, nxpk= 0, iat= 131, 136, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 9 LEU HN 9 LEU HG 6.00 &rst ixpk= 0, nxpk= 0, iat= 131, 138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 9 LEU HN 9 LEU QD1 5.40 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 140, 141, 142, &end # # 9 LEU HN 9 LEU QD2 5.40 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 144, 145, 146, &end # # 9 LEU HN 9 LEU QQD 4.81 &rst ixpk= 0, nxpk= 0, iat= 131, 137, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 9 LEU HN 10 GLU HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 9 LEU HN 41 GLU HA 5.90 &rst ixpk= 0, nxpk= 0, iat= 131, 596, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 9 LEU HN 42 GLN HA 4.70 &rst ixpk= 0, nxpk= 0, iat= 131, 611, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 9 LEU HN 42 GLN QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 613, 614, &end # # 9 LEU HN 42 GLN QG 6.88 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 616, 617, &end # # 9 LEU HA 9 LEU HG 2.80 &rst ixpk= 0, nxpk= 0, iat= 133, 138, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 9 LEU HA 9 LEU QD1 5.40 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 140, 141, 142, &end # # 9 LEU HA 9 LEU QD2 5.40 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 144, 145, 146, &end # # 9 LEU HA 10 GLU HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 133, 154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 9 LEU HA 10 GLU HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 133, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 9 LEU HA 67 ALA HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 133, 983, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 9 LEU HA 67 ALA HA 4.40 &rst ixpk= 0, nxpk= 0, iat= 133, 985, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 9 LEU HA 67 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 987, 988, 989, &end # # 9 LEU HA 68 ARG HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 133, 993, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 9 LEU HA 68 ARG QG 6.28 &rst ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr2=1000,1001, &end # # 9 LEU HB2 10 GLU HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 135, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 LEU HB2 67 ALA HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 135, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 9 LEU HB3 10 GLU HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 136, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 LEU HB3 67 ALA HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 136, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 9 LEU QB 41 GLU QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 135, 136, igr2= 598, 599, &end # # 9 LEU QB 42 GLN HA 5.48 &rst ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 135, 136, &end # # 9 LEU QB 43 ALA HN 6.48 &rst ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 135, 136, &end # # 9 LEU QB 43 ALA QB 7.18 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18, igr1= 135, 136, igr2= 630, 631, 632, &end # # 9 LEU QB 44 VAL HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 135, 136, &end # # 9 LEU HG 10 GLU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 9 LEU HG 38 PHE QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 553, 561, &end # # 9 LEU HG 38 PHE QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 555, 559, &end # # 9 LEU HG 60 VAL HB 5.20 &rst ixpk= 0, nxpk= 0, iat= 138, 876, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 9 LEU HG 67 ALA HA 4.00 &rst ixpk= 0, nxpk= 0, iat= 138, 985, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 9 LEU QD1 10 GLU HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 140, 141, 142, &end # # 9 LEU QD1 21 ILE QD1 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 140, 141, 142, igr2= 300, 301, 302, &end # # 9 LEU QD1 65 TYR HB2 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 140, 141, 142, &end # # 9 LEU QD1 65 TYR HB3 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 140, 141, 142, &end # # 9 LEU QD1 66 HIS+ HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 140, 141, 142, &end # # 9 LEU QD2 10 GLU HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 144, 145, 146, &end # # 9 LEU QD2 21 ILE QD1 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 144, 145, 146, igr2= 300, 301, 302, &end # # 9 LEU QD2 65 TYR HB2 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 144, 145, 146, &end # # 9 LEU QD2 65 TYR HB3 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 144, 145, 146, &end # # 9 LEU QD2 66 HIS+ HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 144, 145, 146, &end # # 9 LEU QQD 18 ALA HA 8.57 &rst ixpk= 0, nxpk= 0, iat= 137, 257, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 9 LEU QQD 21 ILE QD1 7.54 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr2= 300, 301, 302, &end # # 9 LEU QQD 41 GLU QB 9.57 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24, igr2= 598, 599, &end # # 9 LEU QQD 60 VAL QQG 11.13 &rst ixpk= 0, nxpk= 0, iat= 137, 875, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63, &end # # 9 LEU QQD 61 GLU HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 137, 888, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 9 LEU QQD 65 TYR QB 8.52 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr2= 948, 949, &end # # 9 LEU QQD 67 ALA HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 137, 983, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 9 LEU QQD 67 ALA QB 7.87 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95, igr2= 987, 988, 989, &end # # 9 LEU QQD 68 ARG HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 137, 993, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 10 GLU HN 10 GLU HG2 5.40 &rst ixpk= 0, nxpk= 0, iat= 150, 157, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 10 GLU HN 10 GLU HG3 5.40 &rst ixpk= 0, nxpk= 0, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 10 GLU HN 10 GLU QG 4.99 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2= 157, 158, &end # # 10 GLU HN 66 HIS+ HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 150, 965, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 10 GLU HN 66 HIS+ QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 969, 970, &end # # 10 GLU HN 67 ALA HA 5.10 &rst ixpk= 0, nxpk= 0, iat= 150, 985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 10 GLU HA 10 GLU QG 4.00 &rst ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 157, 158, &end # # 10 GLU HA 11 GLY HA1 5.10 &rst ixpk= 0, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 10 GLU HA 11 GLY HA2 5.10 &rst ixpk= 0, nxpk= 0, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 10 GLU HA 11 GLY QA 4.54 &rst ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2= 167, 168, &end # # 10 GLU HA 65 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 954, 959, &end # # 10 GLU HB2 11 GLY HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 10 GLU HB2 66 HIS+ HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 154, 965, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 10 GLU HB2 66 HIS+ HB2 4.80 &rst ixpk= 0, nxpk= 0, iat= 154, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 10 GLU HB2 66 HIS+ HB3 4.80 &rst ixpk= 0, nxpk= 0, iat= 154, 970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 10 GLU HB3 11 GLY HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 10 GLU HB3 66 HIS+ HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 155, 965, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 10 GLU HB3 66 HIS+ HB2 4.80 &rst ixpk= 0, nxpk= 0, iat= 155, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 10 GLU HB3 66 HIS+ HB3 4.80 &rst ixpk= 0, nxpk= 0, iat= 155, 970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 10 GLU QB 60 VAL QQG 9.44 &rst ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10, igr1= 154, 155, &end # # 10 GLU QB 65 TYR QB 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, igr1= 154, 155, igr2= 948, 949, &end # # 10 GLU QB 66 HIS+ QB 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 154, 155, igr2= 969, 970, &end # # 10 GLU HG2 11 GLY HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 157, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 10 GLU HG2 11 GLY HA1 7.75 &rst ixpk= 0, nxpk= 0, iat= 157, 167, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU HG2 11 GLY HA2 7.75 &rst ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU HG2 66 HIS+ HB2 7.75 &rst ixpk= 0, nxpk= 0, iat= 157, 969, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU HG2 66 HIS+ HB3 7.75 &rst ixpk= 0, nxpk= 0, iat= 157, 970, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU HG3 11 GLY HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 10 GLU HG3 11 GLY HA1 7.75 &rst ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU HG3 11 GLY HA2 7.75 &rst ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU HG3 66 HIS+ HB2 7.75 &rst ixpk= 0, nxpk= 0, iat= 158, 969, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU HG3 66 HIS+ HB3 7.75 &rst ixpk= 0, nxpk= 0, iat= 158, 970, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 10 GLU QG 11 GLY QA 6.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09, igr1= 157, 158, igr2= 167, 168, &end # # 10 GLU QG 66 HIS+ QB 6.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09, igr1= 157, 158, igr2= 969, 970, &end # # 11 GLY HN 12 MET HN 3.30 &rst ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 11 GLY HA1 65 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 954, 959, &end # # 11 GLY HA2 65 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 954, 959, &end # # 11 GLY QA 12 MET HA 6.28 &rst ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, igr1= 167, 168, &end # # 11 GLY QA 65 TYR HA 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 167, 168, &end # # 11 GLY QA 65 TYR QB 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, igr1= 167, 168, igr2= 948, 949, &end # # 11 GLY QA 66 HIS+ HN 5.88 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1= 167, 168, &end # # 12 MET HN 12 MET HG2 4.20 &rst ixpk= 0, nxpk= 0, iat= 172, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 12 MET HN 12 MET HG3 4.20 &rst ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 12 MET HN 12 MET QG 4.01 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 179, 180, &end # # 12 MET HN 21 ILE QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 300, 301, 302, &end # # 12 MET HN 60 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 172, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 12 MET HN 65 TYR QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 948, 949, &end # # 12 MET HA 17 CYS QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2= 248, 249, &end # # 12 MET HA 18 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 259, 260, 261, &end # # 12 MET QB 18 ALA HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 176, 177, &end # # 12 MET QB 18 ALA HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 176, 177, &end # # 12 MET QB 21 ILE QD1 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 176, 177, igr2= 300, 301, 302, &end # # 12 MET QB 38 PHE QD 8.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 176, 177, igr2= 553, 561, &end # # 12 MET QB 38 PHE QE 8.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 176, 177, igr2= 555, 559, &end # # 12 MET QB 65 TYR QE 8.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 176, 177, igr2= 954, 959, &end # # 12 MET QG 18 ALA QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 179, 180, igr2= 259, 260, 261, &end # # 12 MET QG 21 ILE QD1 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 179, 180, igr2= 300, 301, 302, &end # # 12 MET QG 65 TYR QB 6.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00, igr1= 179, 180, igr2= 948, 949, &end # # 12 MET QG 65 TYR QE 8.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 179, 180, igr2= 954, 959, &end # # 16 ALA HN 17 CYS HN 3.70 &rst ixpk= 0, nxpk= 0, iat= 234, 244, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 16 ALA QB 17 CYS HN 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 238, 239, 240, &end # # 17 CYS HN 18 ALA HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 244, 255, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 17 CYS HN 19 SER QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2= 269, 270, &end # # 17 CYS HN 62 ARG QD 6.88 &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 913, 914, &end # # 17 CYS HA 20 SER HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 246, 276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 CYS HA 20 SER QB 3.40 &rst ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2= 280, 281, &end # # 17 CYS HA 21 ILE HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 246, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 17 CYS QB 18 ALA HN 6.60 &rst ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 248, 249, &end # # 17 CYS QB 20 SER QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58, igr1= 248, 249, igr2= 280, 281, &end # # 17 CYS QB 62 ARG QG 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58, igr1= 248, 249, igr2= 910, 911, &end # # 17 CYS QB 65 TYR QB 6.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92, igr1= 248, 249, igr2= 948, 949, &end # # 18 ALA HN 19 SER HN 3.00 &rst ixpk= 0, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 18 ALA HN 19 SER HA 5.70 &rst ixpk= 0, nxpk= 0, iat= 255, 267, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 18 ALA HN 36 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 255, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 18 ALA HN 62 ARG QD 6.88 &rst ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 913, 914, &end # # 18 ALA HA 21 ILE HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 257, 287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 18 ALA HA 21 ILE HB 4.50 &rst ixpk= 0, nxpk= 0, iat= 257, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 18 ALA HA 21 ILE QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 293, 294, 295, &end # # 18 ALA HA 21 ILE QG1 6.88 &rst ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 297, 298, &end # # 18 ALA HA 21 ILE QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 300, 301, 302, &end # # 18 ALA HA 22 GLU HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 257, 306, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 18 ALA HA 36 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 257, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 18 ALA QB 19 SER HN 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 259, 260, 261, &end # # 18 ALA QB 19 SER HA 5.20 &rst ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 259, 260, 261, &end # # 18 ALA QB 19 SER QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 259, 260, 261, igr2= 269, 270, &end # # 18 ALA QB 36 VAL HB 6.80 &rst ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 259, 260, 261, &end # # 18 ALA QB 36 VAL QQG 8.66 &rst ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90, igr1= 259, 260, 261, &end # # 18 ALA QB 38 PHE HB2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 259, 260, 261, &end # # 18 ALA QB 38 PHE HB3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 259, 260, 261, &end # # 18 ALA QB 38 PHE QD 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 259, 260, 261, igr2= 553, 561, &end # # 18 ALA QB 38 PHE QE 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 259, 260, 261, igr2= 555, 559, &end # # 19 SER HN 20 SER HN 4.30 &rst ixpk= 0, nxpk= 0, iat= 265, 276, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 19 SER HN 20 SER QB 5.30 &rst ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr2= 280, 281, &end # # 19 SER HN 36 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 265, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 19 SER HA 21 ILE HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 267, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 19 SER HA 22 GLU HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 267, 306, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 19 SER HA 22 GLU HB2 4.60 &rst ixpk= 0, nxpk= 0, iat= 267, 310, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 19 SER HA 22 GLU HB3 4.60 &rst ixpk= 0, nxpk= 0, iat= 267, 311, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 19 SER HA 22 GLU QB 4.22 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 310, 311, &end # # 19 SER HA 22 GLU QG 3.28 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2= 313, 314, &end # # 19 SER HA 23 ARG HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 267, 321, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 19 SER HA 23 ARG QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 325, 326, &end # # 19 SER HA 36 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 521, 522, 523, &end # # 19 SER HA 36 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 525, 526, 527, &end # # 19 SER QB 20 SER HA 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 269, 270, &end # # 19 SER QB 20 SER QB 7.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1= 269, 270, igr2= 280, 281, &end # # 19 SER QB 21 ILE HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 269, 270, &end # # 19 SER QB 36 VAL QG1 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 269, 270, igr2= 521, 522, 523, &end # # 19 SER QB 36 VAL QG2 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 269, 270, igr2= 525, 526, 527, &end # # 19 SER QB 63 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 269, 270, igr2= 931, 932, 933, &end # # 20 SER HN 21 ILE HN 3.10 &rst ixpk= 0, nxpk= 0, iat= 276, 287, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 20 SER HN 21 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 276, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 20 SER HN 21 ILE QG1 6.88 &rst ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 297, 298, &end # # 20 SER HA 22 GLU HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 278, 306, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 20 SER HA 23 ARG HN 4.00 &rst ixpk= 0, nxpk= 0, iat= 278, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 20 SER HA 23 ARG QB 3.88 &rst ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 325, 326, &end # # 20 SER HA 23 ARG QG 7.00 &rst ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2= 328, 329, &end # # 20 SER HA 24 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 278, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 20 SER QB 21 ILE HB 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 280, 281, &end # # 20 SER QB 21 ILE QG1 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 280, 281, igr2= 297, 298, &end # # 20 SER QB 23 ARG QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 280, 281, igr2= 325, 326, &end # # 21 ILE HN 21 ILE HB 3.90 &rst ixpk= 0, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 21 ILE HN 21 ILE HG12 4.70 &rst ixpk= 0, nxpk= 0, iat= 287, 297, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 21 ILE HN 21 ILE HG13 4.70 &rst ixpk= 0, nxpk= 0, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 21 ILE HN 21 ILE QG1 4.32 &rst ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 297, 298, &end # # 21 ILE HN 21 ILE QD1 5.10 &rst ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2= 300, 301, 302, &end # # 21 ILE HN 22 GLU HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 287, 306, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 21 ILE HN 22 GLU QB 6.38 &rst ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 310, 311, &end # # 21 ILE HN 36 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 287, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 21 ILE HA 21 ILE QG2 3.40 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr2= 293, 294, 295, &end # # 21 ILE HA 21 ILE HG12 4.20 &rst ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 21 ILE HA 21 ILE HG13 4.20 &rst ixpk= 0, nxpk= 0, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 21 ILE HA 21 ILE QG1 3.96 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 297, 298, &end # # 21 ILE HA 21 ILE QD1 4.70 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 300, 301, 302, &end # # 21 ILE HA 23 ARG HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 289, 321, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 21 ILE HA 24 ALA HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 289, 345, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 21 ILE HA 24 ALA QB 4.70 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 349, 350, 351, &end # # 21 ILE HA 25 ILE HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 289, 355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 21 ILE HA 25 ILE QG1 6.58 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr2= 365, 366, &end # # 21 ILE HA 60 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 289, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 21 ILE HA 63 ALA QB 6.70 &rst ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr2= 931, 932, 933, &end # # 21 ILE HB 22 GLU HN 3.90 &rst ixpk= 0, nxpk= 0, iat= 291, 306, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 21 ILE HB 22 GLU HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 291, 308, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 21 ILE HB 23 ARG HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 291, 321, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 21 ILE HB 36 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 291, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 21 ILE QG2 22 GLU HN 6.50 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr1= 293, 294, 295, &end # # 21 ILE QG2 22 GLU HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 293, 294, 295, &end # # 21 ILE QG2 24 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 293, 294, 295, &end # # 21 ILE QG2 25 ILE HN 6.10 &rst ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 293, 294, 295, &end # # 21 ILE QG2 25 ILE HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 293, 294, 295, &end # # 21 ILE QG2 25 ILE HB 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 293, 294, 295, &end # # 21 ILE QG2 25 ILE HG12 6.80 &rst ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 293, 294, 295, &end # # 21 ILE QG2 25 ILE HG13 6.80 &rst ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, igr1= 293, 294, 295, &end # # 21 ILE QG2 25 ILE QD1 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 293, 294, 295, igr2= 368, 369, 370, &end # # 21 ILE QG2 26 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 293, 294, 295, &end # # 21 ILE QG2 43 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 293, 294, 295, igr2= 630, 631, 632, &end # # 21 ILE QG2 45 VAL QQG 9.56 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98, igr1= 293, 294, 295, &end # # 21 ILE QG2 59 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 293, 294, 295, igr2= 866, 867, 868, &end # # 21 ILE QG2 60 VAL HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 293, 294, 295, &end # # 21 ILE QG2 60 VAL HB 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 293, 294, 295, &end # # 21 ILE HG12 60 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 878, 879, 880, &end # # 21 ILE HG12 60 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 882, 883, 884, &end # # 21 ILE HG12 65 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 954, 959, &end # # 21 ILE HG13 60 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 878, 879, 880, &end # # 21 ILE HG13 60 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 882, 883, 884, &end # # 21 ILE HG13 65 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 954, 959, &end # # 21 ILE QG1 22 GLU HN 6.58 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1= 297, 298, &end # # 21 ILE QG1 60 VAL QQG 8.52 &rst ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr1= 297, 298, &end # # 21 ILE QD1 22 GLU HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 300, 301, 302, &end # # 21 ILE QD1 65 TYR HB2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 300, 301, 302, &end # # 21 ILE QD1 65 TYR HB3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 300, 301, 302, &end # # 21 ILE QD1 65 TYR QE 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 300, 301, 302, igr2= 954, 959, &end # # 21 ILE QD1 66 HIS+ HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 300, 301, 302, &end # # 22 GLU HN 22 GLU QB 3.77 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 310, 311, &end # # 22 GLU HN 22 GLU HG2 3.90 &rst ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 22 GLU HN 22 GLU HG3 3.90 &rst ixpk= 0, nxpk= 0, iat= 306, 314, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 22 GLU HN 22 GLU QG 3.55 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2= 313, 314, &end # # 22 GLU HN 23 ARG HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 22 GLU HN 23 ARG HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 306, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HN 23 ARG HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 306, 326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HN 23 ARG QB 5.36 &rst ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2= 325, 326, &end # # 22 GLU HN 36 VAL QQG 7.66 &rst ixpk= 0, nxpk= 0, iat= 306, 518, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16, &end # # 22 GLU HA 22 GLU QG 3.51 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 313, 314, &end # # 22 GLU HA 24 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 308, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HA 24 ALA QB 6.20 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, igr2= 349, 350, 351, &end # # 22 GLU HA 25 ILE HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 308, 355, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 22 GLU HA 25 ILE HB 4.40 &rst ixpk= 0, nxpk= 0, iat= 308, 359, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 22 GLU HA 25 ILE QG2 6.70 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr2= 361, 362, 363, &end # # 22 GLU HA 25 ILE HG12 6.00 &rst ixpk= 0, nxpk= 0, iat= 308, 365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HA 25 ILE HG13 6.00 &rst ixpk= 0, nxpk= 0, iat= 308, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HA 25 ILE QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 368, 369, 370, &end # # 22 GLU HA 26 ALA HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 308, 374, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 22 GLU HA 34 CYS QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 491, 492, &end # # 22 GLU HB2 23 ARG HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 310, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 22 GLU HB2 23 ARG HA 5.00 &rst ixpk= 0, nxpk= 0, iat= 310, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 22 GLU HB2 24 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 310, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HB2 36 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 521, 522, 523, &end # # 22 GLU HB2 36 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 525, 526, 527, &end # # 22 GLU HB3 23 ARG HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 311, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 22 GLU HB3 23 ARG HA 5.00 &rst ixpk= 0, nxpk= 0, iat= 311, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 22 GLU HB3 24 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 311, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HB3 36 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 521, 522, 523, &end # # 22 GLU HB3 36 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 525, 526, 527, &end # # 22 GLU QB 25 ILE HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 310, 311, &end # # 22 GLU QB 26 ALA HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 310, 311, &end # # 22 GLU QB 34 CYS HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 310, 311, &end # # 22 GLU QB 34 CYS QB 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, igr1= 310, 311, igr2= 491, 492, &end # # 22 GLU QB 36 VAL QQG 8.52 &rst ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr1= 310, 311, &end # # 22 GLU HG2 23 ARG HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 22 GLU HG2 36 VAL HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 313, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU HG3 23 ARG HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 22 GLU HG3 36 VAL HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 314, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 22 GLU QG 23 ARG HN 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 313, 314, &end # # 22 GLU QG 36 VAL HN 5.74 &rst ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 313, 314, &end # # 22 GLU QG 36 VAL QQG 9.44 &rst ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10, igr1= 313, 314, &end # # 23 ARG HN 23 ARG HB2 3.70 &rst ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 23 ARG HN 23 ARG HB3 3.70 &rst ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 23 ARG HN 23 ARG QB 3.39 &rst ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 325, 326, &end # # 23 ARG HN 23 ARG QG 6.00 &rst ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 328, 329, &end # # 23 ARG HN 23 ARG HD2 5.10 &rst ixpk= 0, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 23 ARG HN 23 ARG HD3 5.10 &rst ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 23 ARG HN 23 ARG QD 4.92 &rst ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 331, 332, &end # # 23 ARG HN 24 ALA HN 3.70 &rst ixpk= 0, nxpk= 0, iat= 321, 345, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 23 ARG HN 24 ALA QB 4.90 &rst ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 349, 350, 351, &end # # 23 ARG HN 25 ILE HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 321, 355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 23 ARG HN 27 LYS QE 6.88 &rst ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 397, 398, &end # # 23 ARG HA 23 ARG HD2 4.90 &rst ixpk= 0, nxpk= 0, iat= 323, 331, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 23 ARG HA 23 ARG HD3 4.90 &rst ixpk= 0, nxpk= 0, iat= 323, 332, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 23 ARG HA 23 ARG QD 4.57 &rst ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 331, 332, &end # # 23 ARG HA 24 ALA HA 4.80 &rst ixpk= 0, nxpk= 0, iat= 323, 347, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 23 ARG HA 25 ILE HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 323, 355, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 23 ARG HA 25 ILE HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 323, 359, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 23 ARG HA 26 ALA HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 323, 374, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 23 ARG HA 26 ALA QB 4.30 &rst ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 378, 379, 380, &end # # 23 ARG HA 27 LYS HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 323, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 23 ARG HB2 24 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 23 ARG HB3 24 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 326, 345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 23 ARG QB 24 ALA HA 5.28 &rst ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 325, 326, &end # # 23 ARG QG 24 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 328, 329, &end # # 23 ARG QG 24 ALA HA 4.40 &rst ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 328, 329, &end # # 23 ARG QG 26 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 328, 329, &end # # 23 ARG QG 26 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 328, 329, igr2= 378, 379, 380, &end # # 24 ALA HN 24 ALA QB 3.60 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 349, 350, 351, &end # # 24 ALA HN 25 ILE HN 3.60 &rst ixpk= 0, nxpk= 0, iat= 345, 355, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 24 ALA HN 25 ILE HB 5.20 &rst ixpk= 0, nxpk= 0, iat= 345, 359, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 24 ALA HN 25 ILE QG1 6.88 &rst ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 365, 366, &end # # 24 ALA HN 26 ALA HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 345, 374, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 24 ALA HA 25 ILE HA 5.20 &rst ixpk= 0, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 24 ALA HA 26 ALA HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 347, 374, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 24 ALA HA 27 LYS HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 347, 384, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 24 ALA HA 27 LYS QB 5.58 &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2= 388, 389, &end # # 24 ALA HA 27 LYS HG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 347, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 24 ALA HA 27 LYS HG3 6.00 &rst ixpk= 0, nxpk= 0, iat= 347, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 24 ALA HA 27 LYS QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 391, 392, &end # # 24 ALA HA 27 LYS HD2 6.00 &rst ixpk= 0, nxpk= 0, iat= 347, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 24 ALA HA 27 LYS HD3 6.00 &rst ixpk= 0, nxpk= 0, iat= 347, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 24 ALA HA 27 LYS QD 5.74 &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2= 394, 395, &end # # 24 ALA QB 25 ILE HN 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 349, 350, 351, &end # # 24 ALA QB 25 ILE HA 6.70 &rst ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55, igr1= 349, 350, 351, &end # # 24 ALA QB 26 ALA HN 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 349, 350, 351, &end # # 24 ALA QB 59 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 349, 350, 351, igr2= 866, 867, 868, &end # # 24 ALA QB 60 VAL HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 349, 350, 351, &end # # 25 ILE HN 25 ILE HB 3.40 &rst ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 25 ILE HN 25 ILE QG2 4.40 &rst ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 361, 362, 363, &end # # 25 ILE HN 25 ILE HG12 3.90 &rst ixpk= 0, nxpk= 0, iat= 355, 365, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 25 ILE HN 25 ILE HG13 3.90 &rst ixpk= 0, nxpk= 0, iat= 355, 366, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 25 ILE HN 25 ILE QD1 4.50 &rst ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 368, 369, 370, &end # # 25 ILE HN 26 ALA HN 2.60 &rst ixpk= 0, nxpk= 0, iat= 355, 374, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 25 ILE HN 26 ALA HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 355, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 25 ILE HN 27 LYS HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 355, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 25 ILE HN 45 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 355, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 25 ILE HA 27 LYS HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 357, 384, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 25 ILE HA 27 LYS QB 6.18 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr2= 388, 389, &end # # 25 ILE HA 28 VAL HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 357, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 25 ILE HA 28 VAL HB 5.70 &rst ixpk= 0, nxpk= 0, iat= 357, 410, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 25 ILE HA 28 VAL QG1 6.00 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 412, 413, 414, &end # # 25 ILE HA 28 VAL QG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 416, 417, 418, &end # # 25 ILE HA 28 VAL QQG 5.64 &rst ixpk= 0, nxpk= 0, iat= 357, 409, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end # # 25 ILE HA 59 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 866, 867, 868, &end # # 25 ILE HB 26 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 25 ILE HB 26 ALA HA 5.70 &rst ixpk= 0, nxpk= 0, iat= 359, 376, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 25 ILE HB 26 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 378, 379, 380, &end # # 25 ILE HB 27 LYS HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 359, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 25 ILE QG2 26 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 361, 362, 363, &end # # 25 ILE QG2 26 ALA HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 361, 362, 363, &end # # 25 ILE QG2 27 LYS HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 361, 362, 363, &end # # 25 ILE QG2 28 VAL HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 361, 362, 363, &end # # 25 ILE QG2 34 CYS QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 361, 362, 363, igr2= 491, 492, &end # # 25 ILE QG2 47 TYR QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 361, 362, 363, igr2= 683, 684, &end # # 25 ILE QG2 59 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 361, 362, 363, igr2= 866, 867, 868, &end # # 25 ILE HG12 59 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 866, 867, 868, &end # # 25 ILE HG13 59 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 866, 867, 868, &end # # 25 ILE QG1 26 ALA HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 365, 366, &end # # 25 ILE QG1 45 VAL QQG 9.44 &rst ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10, igr1= 365, 366, &end # # 25 ILE QD1 26 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 368, 369, 370, &end # # 25 ILE QD1 43 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 368, 369, 370, igr2= 630, 631, 632, &end # # 25 ILE QD1 45 VAL QG1 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 368, 369, 370, igr2= 658, 659, 660, &end # # 25 ILE QD1 45 VAL QG2 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 368, 369, 370, igr2= 662, 663, 664, &end # # 25 ILE QD1 59 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 368, 369, 370, igr2= 866, 867, 868, &end # # 25 ILE QD1 60 VAL QQG 9.56 &rst ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98, igr1= 368, 369, 370, &end # # 26 ALA HN 26 ALA QB 3.40 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr2= 378, 379, 380, &end # # 26 ALA HN 27 LYS HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 26 ALA HN 27 LYS QB 6.38 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr2= 388, 389, &end # # 26 ALA HN 28 VAL HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 26 ALA HN 28 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 374, 409, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 26 ALA HN 31 VAL QG1 6.60 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr2= 449, 450, 451, &end # # 26 ALA HN 31 VAL QG2 6.60 &rst ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr2= 453, 454, 455, &end # # 26 ALA HN 31 VAL QQG 6.21 &rst ixpk= 0, nxpk= 0, iat= 374, 446, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end # # 26 ALA HN 34 CYS HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 374, 491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 26 ALA HN 34 CYS HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 374, 492, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 26 ALA HA 28 VAL HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 376, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 26 ALA HA 31 VAL HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 376, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 26 ALA HA 31 VAL QG1 5.40 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 449, 450, 451, &end # # 26 ALA HA 31 VAL QG2 5.40 &rst ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 453, 454, 455, &end # # 26 ALA HA 31 VAL QQG 4.23 &rst ixpk= 0, nxpk= 0, iat= 376, 446, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 26 ALA QB 27 LYS HN 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 378, 379, 380, &end # # 26 ALA QB 27 LYS HA 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 378, 379, 380, &end # # 26 ALA QB 33 SER HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 378, 379, 380, &end # # 27 LYS HN 27 LYS QB 3.77 &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 388, 389, &end # # 27 LYS HN 27 LYS HG2 4.00 &rst ixpk= 0, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 27 LYS HN 27 LYS HG3 4.00 &rst ixpk= 0, nxpk= 0, iat= 384, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 27 LYS HN 27 LYS QG 3.80 &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2= 391, 392, &end # # 27 LYS HN 27 LYS QD 4.58 &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 394, 395, &end # # 27 LYS HN 27 LYS HE2 5.80 &rst ixpk= 0, nxpk= 0, iat= 384, 397, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 27 LYS HN 27 LYS HE3 5.80 &rst ixpk= 0, nxpk= 0, iat= 384, 398, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 27 LYS HN 27 LYS QE 5.63 &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr2= 397, 398, &end # # 27 LYS HN 28 VAL HN 3.50 &rst ixpk= 0, nxpk= 0, iat= 384, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 LYS HN 28 VAL HB 4.70 &rst ixpk= 0, nxpk= 0, iat= 384, 410, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 27 LYS HN 28 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 412, 413, 414, &end # # 27 LYS HN 28 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 416, 417, 418, &end # # 27 LYS HN 31 VAL HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 384, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 LYS HA 27 LYS HG2 3.70 &rst ixpk= 0, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 27 LYS HA 27 LYS HG3 3.70 &rst ixpk= 0, nxpk= 0, iat= 386, 392, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 27 LYS HA 27 LYS QG 3.25 &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2= 391, 392, &end # # 27 LYS HA 27 LYS HD2 4.30 &rst ixpk= 0, nxpk= 0, iat= 386, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 27 LYS HA 27 LYS HD3 4.30 &rst ixpk= 0, nxpk= 0, iat= 386, 395, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 27 LYS HA 27 LYS HE2 6.00 &rst ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 LYS HA 27 LYS HE3 6.00 &rst ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 LYS HA 27 LYS QE 5.64 &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 397, 398, &end # # 27 LYS HA 28 VAL HA 5.00 &rst ixpk= 0, nxpk= 0, iat= 386, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 27 LYS HA 29 PRO QD 6.88 &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 423, 424, &end # # 27 LYS HA 31 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 386, 446, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 27 LYS HB2 27 LYS HE2 6.00 &rst ixpk= 0, nxpk= 0, iat= 388, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 LYS HB2 27 LYS HE3 6.00 &rst ixpk= 0, nxpk= 0, iat= 388, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 LYS HB2 28 VAL HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 27 LYS HB2 28 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 388, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 LYS HB3 27 LYS HE2 6.00 &rst ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 LYS HB3 27 LYS HE3 6.00 &rst ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 27 LYS HB3 28 VAL HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 389, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 27 LYS HB3 28 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 389, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 LYS QB 28 VAL HA 4.95 &rst ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 388, 389, &end # # 27 LYS QB 29 PRO QD 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, igr1= 388, 389, igr2= 423, 424, &end # # 27 LYS QG 28 VAL HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 391, 392, &end # # 27 LYS QD 28 VAL HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 394, 395, &end # # 28 VAL HN 28 VAL HB 3.30 &rst ixpk= 0, nxpk= 0, iat= 406, 410, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 28 VAL HN 28 VAL QQG 4.01 &rst ixpk= 0, nxpk= 0, iat= 406, 409, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 28 VAL HN 29 PRO QD 6.88 &rst ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 423, 424, &end # # 28 VAL HN 31 VAL HB 5.30 &rst ixpk= 0, nxpk= 0, iat= 406, 447, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 28 VAL HN 31 VAL QQG 5.96 &rst ixpk= 0, nxpk= 0, iat= 406, 446, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 28 VAL HA 29 PRO HA 4.30 &rst ixpk= 0, nxpk= 0, iat= 408, 432, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 28 VAL HA 29 PRO QB 5.18 &rst ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr2= 429, 430, &end # # 28 VAL HA 29 PRO HG2 5.30 &rst ixpk= 0, nxpk= 0, iat= 408, 426, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 28 VAL HA 29 PRO HG3 5.30 &rst ixpk= 0, nxpk= 0, iat= 408, 427, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 28 VAL HA 29 PRO QG 5.08 &rst ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 426, 427, &end # # 28 VAL HA 31 VAL QQG 7.56 &rst ixpk= 0, nxpk= 0, iat= 408, 446, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end # # 28 VAL HB 29 PRO HD2 6.00 &rst ixpk= 0, nxpk= 0, iat= 410, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 VAL HB 29 PRO HD3 6.00 &rst ixpk= 0, nxpk= 0, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 28 VAL HB 31 VAL HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 410, 443, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 28 VAL HB 31 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 449, 450, 451, &end # # 28 VAL HB 31 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 453, 454, 455, &end # # 28 VAL HB 31 VAL QQG 6.67 &rst ixpk= 0, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end # # 28 VAL QG1 29 PRO HD2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 412, 413, 414, &end # # 28 VAL QG1 29 PRO HD3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 412, 413, 414, &end # # 28 VAL QG2 29 PRO HD2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 416, 417, 418, &end # # 28 VAL QG2 29 PRO HD3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 416, 417, 418, &end # # 28 VAL QQG 29 PRO QD 6.59 &rst ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, igr2= 423, 424, &end # # 28 VAL QQG 30 GLY HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 409, 436, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 28 VAL QQG 31 VAL HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 409, 443, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 28 VAL QQG 32 GLN HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 409, 459, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 28 VAL QQG 33 SER HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 409, 476, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 28 VAL QQG 59 ALA HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 409, 862, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 29 PRO HA 30 GLY QA 5.58 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr2= 438, 439, &end # # 29 PRO HA 31 VAL HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 432, 443, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 29 PRO HA 31 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 29 PRO QB 30 GLY QA 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, igr1= 429, 430, igr2= 438, 439, &end # # 29 PRO QB 31 VAL HN 6.68 &rst ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, igr1= 429, 430, &end # # 30 GLY HN 31 VAL HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 436, 443, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 30 GLY HA1 48 HIST HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 438, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 30 GLY HA2 48 HIST HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 439, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 30 GLY QA 31 VAL HA 5.38 &rst ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 438, 439, &end # # 30 GLY QA 48 HIST HN 5.79 &rst ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1= 438, 439, &end # # 30 GLY QA 48 HIST QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 438, 439, igr2= 704, 705, &end # # 30 GLY QA 48 HIST HD2 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 438, 439, &end # # 31 VAL HN 32 GLN HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 443, 459, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 31 VAL HN 47 TYR HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 443, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 31 VAL HN 47 TYR QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 683, 684, &end # # 31 VAL HA 32 GLN HA 4.50 &rst ixpk= 0, nxpk= 0, iat= 445, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 VAL HA 33 SER HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 445, 476, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 31 VAL HA 45 VAL QQG 5.96 &rst ixpk= 0, nxpk= 0, iat= 445, 655, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end # # 31 VAL HA 47 TYR HA 3.50 &rst ixpk= 0, nxpk= 0, iat= 445, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 31 VAL HA 47 TYR HB2 5.90 &rst ixpk= 0, nxpk= 0, iat= 445, 683, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 31 VAL HA 47 TYR HB3 5.90 &rst ixpk= 0, nxpk= 0, iat= 445, 684, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 31 VAL HA 47 TYR QB 5.64 &rst ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 683, 684, &end # # 31 VAL HA 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 31 VAL HA 47 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 689, 694, &end # # 31 VAL HA 48 HIST HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 445, 700, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 31 VAL HB 32 GLN HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 447, 459, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 31 VAL HB 47 TYR HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 447, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 31 VAL QG1 32 GLN HN 6.30 &rst ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 449, 450, 451, &end # # 31 VAL QG1 32 GLN HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 449, 450, 451, &end # # 31 VAL QG1 32 GLN HG2 8.75 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr1= 449, 450, 451, &end # # 31 VAL QG1 32 GLN HG3 8.75 &rst ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr1= 449, 450, 451, &end # # 31 VAL QG1 32 GLN HE21 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, igr1= 449, 450, 451, &end # # 31 VAL QG1 32 GLN HE22 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, igr1= 449, 450, 451, &end # # 31 VAL QG1 33 SER HN 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 449, 450, 451, &end # # 31 VAL QG1 47 TYR HB2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 449, 450, 451, &end # # 31 VAL QG1 47 TYR HB3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 449, 450, 451, &end # # 31 VAL QG2 32 GLN HN 6.30 &rst ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 453, 454, 455, &end # # 31 VAL QG2 32 GLN HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 453, 454, 455, &end # # 31 VAL QG2 32 GLN HG2 8.75 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr1= 453, 454, 455, &end # # 31 VAL QG2 32 GLN HG3 8.75 &rst ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr1= 453, 454, 455, &end # # 31 VAL QG2 32 GLN HE21 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, igr1= 453, 454, 455, &end # # 31 VAL QG2 32 GLN HE22 8.73 &rst ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, igr1= 453, 454, 455, &end # # 31 VAL QG2 33 SER HN 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 453, 454, 455, &end # # 31 VAL QG2 47 TYR HB2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 453, 454, 455, &end # # 31 VAL QG2 47 TYR HB3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 453, 454, 455, &end # # 31 VAL QQG 32 GLN HN 5.42 &rst ixpk= 0, nxpk= 0, iat= 446, 459, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end # # 31 VAL QQG 32 GLN QG 7.72 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17, igr2= 466, 467, &end # # 31 VAL QQG 32 GLN QE2 7.71 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr2= 471, 472, &end # # 31 VAL QQG 33 SER HN 4.63 &rst ixpk= 0, nxpk= 0, iat= 446, 476, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 31 VAL QQG 34 CYS HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 446, 487, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 31 VAL QQG 46 SER HN 7.66 &rst ixpk= 0, nxpk= 0, iat= 446, 668, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16, &end # # 31 VAL QQG 46 SER HA 8.56 &rst ixpk= 0, nxpk= 0, iat= 446, 670, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 31 VAL QQG 47 TYR HA 8.56 &rst ixpk= 0, nxpk= 0, iat= 446, 681, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 31 VAL QQG 47 TYR QD 10.56 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35, igr2= 687, 696, &end # # 31 VAL QQG 47 TYR QE 10.56 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35, igr2= 689, 694, &end # # 31 VAL QQG 56 LEU QB 9.56 &rst ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23, igr2= 821, 822, &end # # 32 GLN HN 32 GLN HG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 459, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HN 32 GLN HG3 6.00 &rst ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HN 32 GLN QG 5.23 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 466, 467, &end # # 32 GLN HN 33 SER HN 3.60 &rst ixpk= 0, nxpk= 0, iat= 459, 476, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 32 GLN HN 46 SER QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 672, 673, &end # # 32 GLN HN 47 TYR HA 3.30 &rst ixpk= 0, nxpk= 0, iat= 459, 681, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 32 GLN HN 47 TYR HB2 6.00 &rst ixpk= 0, nxpk= 0, iat= 459, 683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HN 47 TYR HB3 6.00 &rst ixpk= 0, nxpk= 0, iat= 459, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HN 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 32 GLN HA 32 GLN QG 3.77 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 466, 467, &end # # 32 GLN HA 32 GLN NE2 6.00 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 471, 472, &end # # 32 GLN HA 32 GLN HE21 6.00 &rst ixpk= 0, nxpk= 0, iat= 461, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HA 32 GLN HE22 6.00 &rst ixpk= 0, nxpk= 0, iat= 461, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN QB 33 SER HB2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 463, 464, &end # # 32 GLN QB 33 SER HB3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 463, 464, &end # # 32 GLN QB 46 SER HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 463, 464, &end # # 32 GLN QB 46 SER HB2 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 463, 464, &end # # 32 GLN QB 46 SER HB3 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 463, 464, &end # # 32 GLN QB 47 TYR HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 463, 464, &end # # 32 GLN QB 48 HIST HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 463, 464, &end # # 32 GLN HG2 33 SER HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HG2 33 SER HB2 7.15 &rst ixpk= 0, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end # # 32 GLN HG2 33 SER HB3 7.15 &rst ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end # # 32 GLN HG2 46 SER HB2 7.75 &rst ixpk= 0, nxpk= 0, iat= 466, 672, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 32 GLN HG2 46 SER HB3 7.75 &rst ixpk= 0, nxpk= 0, iat= 466, 673, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 32 GLN HG2 48 HIST HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 466, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HG2 48 HIST HD2 6.00 &rst ixpk= 0, nxpk= 0, iat= 466, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HG3 33 SER HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 467, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HG3 33 SER HB2 7.15 &rst ixpk= 0, nxpk= 0, iat= 467, 480, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end # # 32 GLN HG3 33 SER HB3 7.15 &rst ixpk= 0, nxpk= 0, iat= 467, 481, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end # # 32 GLN HG3 46 SER HB2 7.75 &rst ixpk= 0, nxpk= 0, iat= 467, 672, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 32 GLN HG3 46 SER HB3 7.75 &rst ixpk= 0, nxpk= 0, iat= 467, 673, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25, &end # # 32 GLN HG3 48 HIST HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 467, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN HG3 48 HIST HD2 6.00 &rst ixpk= 0, nxpk= 0, iat= 467, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 32 GLN QG 33 SER QB 6.35 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, igr1= 466, 467, igr2= 480, 481, &end # # 32 GLN QG 46 SER QB 6.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09, igr1= 466, 467, igr2= 672, 673, &end # # 32 GLN HE21 35 GLN HE21 7.73 &rst ixpk= 0, nxpk= 0, iat= 471, 510, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 32 GLN HE21 35 GLN HE22 7.73 &rst ixpk= 0, nxpk= 0, iat= 471, 511, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 32 GLN HE22 35 GLN HE21 7.73 &rst ixpk= 0, nxpk= 0, iat= 472, 510, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 32 GLN HE22 35 GLN HE22 7.73 &rst ixpk= 0, nxpk= 0, iat= 472, 511, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 32 GLN QE2 33 SER QB 7.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1= 471, 472, igr2= 480, 481, &end # # 32 GLN QE2 35 GLN QE2 6.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1= 471, 472, igr2= 510, 511, &end # # 33 SER HN 34 CYS HA 5.90 &rst ixpk= 0, nxpk= 0, iat= 476, 489, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 33 SER HN 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 476, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 33 SER HN 45 VAL HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 476, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 33 SER HN 46 SER HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 476, 668, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 33 SER HN 46 SER HB2 5.70 &rst ixpk= 0, nxpk= 0, iat= 476, 672, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 33 SER HN 46 SER HB3 5.70 &rst ixpk= 0, nxpk= 0, iat= 476, 673, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 33 SER HN 47 TYR HA 4.90 &rst ixpk= 0, nxpk= 0, iat= 476, 681, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 33 SER HA 34 CYS HN 2.90 &rst ixpk= 0, nxpk= 0, iat= 478, 487, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 33 SER HA 45 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 478, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 33 SER HB2 34 CYS HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 33 SER HB3 34 CYS HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 33 SER QB 34 CYS HN 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 480, 481, &end # # 33 SER QB 35 GLN QG 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, igr1= 480, 481, igr2= 505, 506, &end # # 33 SER QB 35 GLN QE2 7.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25, igr1= 480, 481, igr2= 510, 511, &end # # 33 SER QB 46 SER HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 480, 481, &end # # 33 SER QB 46 SER QB 5.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1= 480, 481, igr2= 672, 673, &end # # 34 CYS HA 35 GLN HN 3.40 &rst ixpk= 0, nxpk= 0, iat= 489, 498, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 34 CYS HA 44 VAL HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 489, 636, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 34 CYS HA 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 489, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 34 CYS HA 45 VAL HA 3.80 &rst ixpk= 0, nxpk= 0, iat= 489, 654, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 34 CYS HA 45 VAL HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 489, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 34 CYS HA 45 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 658, 659, 660, &end # # 34 CYS HA 45 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 662, 663, 664, &end # # 34 CYS HA 46 SER HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 489, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 34 CYS HB2 35 GLN HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 491, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 34 CYS HB2 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 34 CYS HB2 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 34 CYS HB2 45 VAL HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 491, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 34 CYS HB2 45 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 658, 659, 660, &end # # 34 CYS HB2 45 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 662, 663, 664, &end # # 34 CYS HB3 35 GLN HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 492, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 34 CYS HB3 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 34 CYS HB3 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 34 CYS HB3 45 VAL HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 492, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 34 CYS HB3 45 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 658, 659, 660, &end # # 34 CYS HB3 45 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 662, 663, 664, &end # # 34 CYS QB 35 GLN HN 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 491, 492, &end # # 34 CYS QB 35 GLN HA 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 491, 492, &end # # 34 CYS QB 44 VAL HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 491, 492, &end # # 34 CYS QB 44 VAL QQG 8.52 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr1= 491, 492, &end # # 34 CYS QB 45 VAL HA 5.32 &rst ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 491, 492, &end # # 34 CYS QB 46 SER HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 491, 492, &end # # 35 GLN HN 35 GLN HG2 5.00 &rst ixpk= 0, nxpk= 0, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 35 GLN HN 35 GLN HG3 5.00 &rst ixpk= 0, nxpk= 0, iat= 498, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 35 GLN HN 35 GLN QG 4.77 &rst ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 505, 506, &end # # 35 GLN HN 36 VAL HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 35 GLN HN 43 ALA HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 498, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 35 GLN HN 43 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 630, 631, 632, &end # # 35 GLN HN 44 VAL HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 498, 636, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 35 GLN HN 44 VAL HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 498, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 35 GLN HN 44 VAL HB 5.90 &rst ixpk= 0, nxpk= 0, iat= 498, 640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 35 GLN HN 44 VAL QQG 8.16 &rst ixpk= 0, nxpk= 0, iat= 498, 639, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66, &end # # 35 GLN HN 45 VAL HA 4.60 &rst ixpk= 0, nxpk= 0, iat= 498, 654, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 35 GLN HN 45 VAL HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 498, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 35 GLN HN 45 VAL QQG 7.56 &rst ixpk= 0, nxpk= 0, iat= 498, 655, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, &end # # 35 GLN HA 35 GLN QG 3.86 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 505, 506, &end # # 35 GLN HA 35 GLN QE2 4.87 &rst ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2= 510, 511, &end # # 35 GLN HA 36 VAL HN 3.40 &rst ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 35 GLN HA 36 VAL HB 6.00 &rst ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 35 GLN HA 36 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 500, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 35 GLN HA 44 VAL HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 500, 636, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 35 GLN QB 43 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 502, 503, igr2= 630, 631, 632, &end # # 35 GLN QB 44 VAL HN 6.40 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, igr1= 502, 503, &end # # 35 GLN QB 44 VAL QG1 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 502, 503, igr2= 642, 643, 644, &end # # 35 GLN QB 44 VAL QG2 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28, igr1= 502, 503, igr2= 646, 647, 648, &end # # 35 GLN HG2 44 VAL QG1 8.75 &rst ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr2= 642, 643, 644, &end # # 35 GLN HG2 44 VAL QG2 8.75 &rst ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr2= 646, 647, 648, &end # # 35 GLN HG3 44 VAL QG1 8.75 &rst ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr2= 642, 643, 644, &end # # 35 GLN HG3 44 VAL QG2 8.75 &rst ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr2= 646, 647, 648, &end # # 35 GLN QG 44 VAL HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 505, 506, &end # # 35 GLN QG 44 VAL QQG 7.72 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17, igr1= 505, 506, &end # # 35 GLN HE21 44 VAL QG1 8.23 &rst ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38, igr2= 642, 643, 644, &end # # 35 GLN HE21 44 VAL QG2 8.23 &rst ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38, igr2= 646, 647, 648, &end # # 35 GLN HE22 44 VAL QG1 8.23 &rst ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38, igr2= 642, 643, 644, &end # # 35 GLN HE22 44 VAL QG2 8.23 &rst ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38, igr2= 646, 647, 648, &end # # 35 GLN QE2 44 VAL QQG 6.84 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, igr1= 510, 511, &end # # 36 VAL HN 36 VAL HB 3.90 &rst ixpk= 0, nxpk= 0, iat= 515, 519, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 36 VAL HN 37 ASN HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 515, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 VAL HN 42 GLN QG 5.68 &rst ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 616, 617, &end # # 36 VAL HN 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 515, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 36 VAL HA 37 ASN HN 3.40 &rst ixpk= 0, nxpk= 0, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 36 VAL HA 37 ASN HB2 5.20 &rst ixpk= 0, nxpk= 0, iat= 517, 535, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 36 VAL HA 37 ASN HB3 5.20 &rst ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 36 VAL HA 37 ASN QB 4.93 &rst ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 535, 536, &end # # 36 VAL HA 38 PHE HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 517, 545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 VAL HA 42 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 517, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 VAL HA 43 ALA HA 3.90 &rst ixpk= 0, nxpk= 0, iat= 517, 628, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 36 VAL HA 43 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 630, 631, 632, &end # # 36 VAL HA 44 VAL HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 517, 636, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 36 VAL HA 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 517, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 36 VAL HB 37 ASN HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 519, 531, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 36 VAL HB 43 ALA HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 519, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 36 VAL HB 43 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 630, 631, 632, &end # # 36 VAL QG1 37 ASN HN 6.50 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr1= 521, 522, 523, &end # # 36 VAL QG1 37 ASN HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 521, 522, 523, &end # # 36 VAL QG1 37 ASN HD21 9.22 &rst ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57, igr1= 521, 522, 523, &end # # 36 VAL QG1 37 ASN HD22 9.22 &rst ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57, igr1= 521, 522, 523, &end # # 36 VAL QG2 37 ASN HN 6.50 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr1= 525, 526, 527, &end # # 36 VAL QG2 37 ASN HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 525, 526, 527, &end # # 36 VAL QG2 37 ASN HD21 9.22 &rst ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57, igr1= 525, 526, 527, &end # # 36 VAL QG2 37 ASN HD22 9.22 &rst ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57, igr1= 525, 526, 527, &end # # 36 VAL QQG 37 ASN HN 5.91 &rst ixpk= 0, nxpk= 0, iat= 518, 531, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end # # 36 VAL QQG 37 ASN QD2 7.46 &rst ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87, igr2= 540, 541, &end # # 36 VAL QQG 38 PHE HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 518, 545, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 36 VAL QQG 38 PHE QD 10.56 &rst ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35, igr2= 553, 561, &end # # 36 VAL QQG 43 ALA HA 8.56 &rst ixpk= 0, nxpk= 0, iat= 518, 628, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 36 VAL QQG 43 ALA QB 9.36 &rst ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3=11.24, r4=11.74, igr2= 630, 631, 632, &end # # 36 VAL QQG 44 VAL HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 518, 636, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 37 ASN HN 37 ASN HB2 4.20 &rst ixpk= 0, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 37 ASN HN 37 ASN HB3 4.20 &rst ixpk= 0, nxpk= 0, iat= 531, 536, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 37 ASN HN 37 ASN ND2 5.80 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 540, 541, &end # # 37 ASN HN 37 ASN QD2 6.17 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 540, 541, &end # # 37 ASN HN 38 PHE HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 531, 545, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 37 ASN HN 38 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 531, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 ASN HN 40 LEU QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 579, 580, &end # # 37 ASN HN 42 GLN HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 531, 609, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 37 ASN HN 42 GLN HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 531, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN HN 42 GLN QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 613, 614, &end # # 37 ASN HN 42 GLN QG 6.88 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 616, 617, &end # # 37 ASN HN 43 ALA HA 4.50 &rst ixpk= 0, nxpk= 0, iat= 531, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 ASN HN 43 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 630, 631, 632, &end # # 37 ASN HN 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 531, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 37 ASN HA 37 ASN HD21 6.00 &rst ixpk= 0, nxpk= 0, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN HA 37 ASN HD22 6.00 &rst ixpk= 0, nxpk= 0, iat= 533, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN HA 38 PHE QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 549, 550, &end # # 37 ASN HA 40 LEU HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 533, 575, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 37 ASN HA 42 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 533, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN HB2 40 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 535, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN HB2 40 LEU HG 5.30 &rst ixpk= 0, nxpk= 0, iat= 535, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 37 ASN HB2 40 LEU QD1 10.14 &rst ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 584, 585, 586, &end # # 37 ASN HB2 40 LEU QD2 10.14 &rst ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 588, 589, 590, &end # # 37 ASN HB2 42 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 535, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN HB3 40 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 536, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN HB3 40 LEU HG 5.30 &rst ixpk= 0, nxpk= 0, iat= 536, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 37 ASN HB3 40 LEU QD1 10.14 &rst ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 584, 585, 586, &end # # 37 ASN HB3 40 LEU QD2 10.14 &rst ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 588, 589, 590, &end # # 37 ASN HB3 42 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 536, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 37 ASN QB 40 LEU HN 5.84 &rst ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 535, 536, &end # # 37 ASN QB 40 LEU HG 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 535, 536, &end # # 37 ASN QB 40 LEU QQD 8.52 &rst ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr1= 535, 536, &end # # 37 ASN QB 41 GLU HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 535, 536, &end # # 37 ASN QB 42 GLN HN 5.59 &rst ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 535, 536, &end # # 37 ASN QB 42 GLN QB 7.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26, igr1= 535, 536, igr2= 613, 614, &end # # 37 ASN QB 44 VAL QQG 9.44 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10, igr1= 535, 536, &end # # 37 ASN HD21 40 LEU HB2 7.73 &rst ixpk= 0, nxpk= 0, iat= 540, 579, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD21 40 LEU HB3 7.73 &rst ixpk= 0, nxpk= 0, iat= 540, 580, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD21 40 LEU QD1 10.14 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 584, 585, 586, &end # # 37 ASN HD21 40 LEU QD2 10.14 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 588, 589, 590, &end # # 37 ASN HD21 42 GLN HG2 7.73 &rst ixpk= 0, nxpk= 0, iat= 540, 616, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD21 42 GLN HG3 7.73 &rst ixpk= 0, nxpk= 0, iat= 540, 617, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD21 42 GLN HE21 7.73 &rst ixpk= 0, nxpk= 0, iat= 540, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD21 42 GLN HE22 7.73 &rst ixpk= 0, nxpk= 0, iat= 540, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD22 40 LEU HB2 7.73 &rst ixpk= 0, nxpk= 0, iat= 541, 579, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD22 40 LEU HB3 7.73 &rst ixpk= 0, nxpk= 0, iat= 541, 580, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD22 40 LEU QD1 10.14 &rst ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 584, 585, 586, &end # # 37 ASN HD22 40 LEU QD2 10.14 &rst ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr2= 588, 589, 590, &end # # 37 ASN HD22 42 GLN HG2 7.73 &rst ixpk= 0, nxpk= 0, iat= 541, 616, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD22 42 GLN HG3 7.73 &rst ixpk= 0, nxpk= 0, iat= 541, 617, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD22 42 GLN HE21 7.73 &rst ixpk= 0, nxpk= 0, iat= 541, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN HD22 42 GLN HE22 7.73 &rst ixpk= 0, nxpk= 0, iat= 541, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 37 ASN QD2 39 ALA QB 7.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11, igr1= 540, 541, igr2= 569, 570, 571, &end # # 37 ASN QD2 40 LEU QB 6.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51, igr1= 540, 541, igr2= 579, 580, &end # # 37 ASN QD2 40 LEU HG 6.87 &rst ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, igr1= 540, 541, &end # # 37 ASN QD2 40 LEU QQD 8.53 &rst ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07, igr1= 540, 541, &end # # 37 ASN QD2 42 GLN QG 6.47 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, igr1= 540, 541, igr2= 616, 617, &end # # 37 ASN QD2 42 GLN QE2 6.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1= 540, 541, igr2= 621, 622, &end # # 37 ASN QD2 44 VAL QQG 9.43 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08, igr1= 540, 541, &end # # 38 PHE HB2 39 ALA HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 549, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 38 PHE HB3 39 ALA HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 550, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 38 PHE QB 39 ALA HN 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 549, 550, &end # # 38 PHE QB 39 ALA HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 549, 550, &end # # 38 PHE QB 41 GLU HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 549, 550, &end # # 38 PHE QD 39 ALA HN 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 553, 561, &end # # 38 PHE QD 39 ALA HA 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 553, 561, &end # # 38 PHE QD 39 ALA QB 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 553, 561, igr2= 569, 570, 571, &end # # 38 PHE QE 39 ALA HA 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 555, 559, &end # # 38 PHE QE 39 ALA QB 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 555, 559, igr2= 569, 570, 571, &end # # 39 ALA HN 40 LEU HN 4.00 &rst ixpk= 0, nxpk= 0, iat= 565, 575, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 39 ALA HN 40 LEU HA 4.40 &rst ixpk= 0, nxpk= 0, iat= 565, 577, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 39 ALA HN 40 LEU QB 4.58 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 579, 580, &end # # 39 ALA HN 40 LEU HG 6.00 &rst ixpk= 0, nxpk= 0, iat= 565, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 39 ALA HN 40 LEU QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 584, 585, 586, &end # # 39 ALA HN 40 LEU QD2 7.00 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 588, 589, 590, &end # # 39 ALA HN 41 GLU HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 565, 594, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 39 ALA HN 41 GLU QG 6.88 &rst ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 601, 602, &end # # 39 ALA HA 40 LEU HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 567, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 39 ALA HA 41 GLU HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 567, 594, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 39 ALA QB 40 LEU HN 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 569, 570, 571, &end # # 39 ALA QB 40 LEU HA 5.20 &rst ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 569, 570, 571, &end # # 39 ALA QB 41 GLU HN 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 569, 570, 571, &end # # 40 LEU HN 40 LEU QB 3.71 &rst ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 579, 580, &end # # 40 LEU HN 40 LEU HG 3.70 &rst ixpk= 0, nxpk= 0, iat= 575, 582, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 40 LEU HN 40 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 584, 585, 586, &end # # 40 LEU HN 40 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 588, 589, 590, &end # # 40 LEU HN 40 LEU QQD 4.95 &rst ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 40 LEU HN 41 GLU HN 3.60 &rst ixpk= 0, nxpk= 0, iat= 575, 594, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 40 LEU HN 41 GLU HA 5.10 &rst ixpk= 0, nxpk= 0, iat= 575, 596, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 40 LEU HN 41 GLU HG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 575, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 LEU HN 41 GLU HG3 6.00 &rst ixpk= 0, nxpk= 0, iat= 575, 602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 LEU HN 42 GLN QG 6.88 &rst ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 616, 617, &end # # 40 LEU HA 40 LEU QD1 5.20 &rst ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2= 584, 585, 586, &end # # 40 LEU HA 40 LEU QD2 5.20 &rst ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr2= 588, 589, 590, &end # # 40 LEU HA 41 GLU QG 6.48 &rst ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2= 601, 602, &end # # 40 LEU HA 42 GLN HN 5.70 &rst ixpk= 0, nxpk= 0, iat= 577, 609, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 40 LEU HB2 42 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 579, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 LEU HB2 42 GLN HE21 7.73 &rst ixpk= 0, nxpk= 0, iat= 579, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 40 LEU HB2 42 GLN HE22 7.73 &rst ixpk= 0, nxpk= 0, iat= 579, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 40 LEU HB3 42 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 580, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 LEU HB3 42 GLN HE21 7.73 &rst ixpk= 0, nxpk= 0, iat= 580, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 40 LEU HB3 42 GLN HE22 7.73 &rst ixpk= 0, nxpk= 0, iat= 580, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23, &end # # 40 LEU QB 41 GLU HN 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 579, 580, &end # # 40 LEU QB 41 GLU HA 6.38 &rst ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 579, 580, &end # # 40 LEU QB 41 GLU QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43, igr1= 579, 580, igr2= 598, 599, &end # # 40 LEU QB 42 GLN HN 5.59 &rst ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 579, 580, &end # # 40 LEU QB 42 GLN QE2 6.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1= 579, 580, igr2= 621, 622, &end # # 40 LEU HG 41 GLU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 582, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 LEU HG 42 GLN HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 582, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 LEU HG 42 GLN HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 582, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 40 LEU HG 42 GLN QB 6.18 &rst ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr2= 613, 614, &end # # 40 LEU QD1 42 GLN HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 584, 585, 586, &end # # 40 LEU QD1 42 GLN HE21 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 584, 585, 586, &end # # 40 LEU QD1 42 GLN HE22 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 584, 585, 586, &end # # 40 LEU QD2 42 GLN HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 588, 589, 590, &end # # 40 LEU QD2 42 GLN HE21 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 588, 589, 590, &end # # 40 LEU QD2 42 GLN HE22 10.14 &rst ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68, igr1= 588, 589, 590, &end # # 40 LEU QQD 41 GLU HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 581, 594, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 40 LEU QQD 41 GLU HA 8.37 &rst ixpk= 0, nxpk= 0, iat= 581, 596, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87, &end # # 40 LEU QQD 42 GLN HA 8.57 &rst ixpk= 0, nxpk= 0, iat= 581, 611, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 40 LEU QQD 42 GLN QE2 8.53 &rst ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07, igr2= 621, 622, &end # # 40 LEU QQD 43 ALA HN 8.37 &rst ixpk= 0, nxpk= 0, iat= 581, 626, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87, &end # # 41 GLU HN 41 GLU HG2 3.70 &rst ixpk= 0, nxpk= 0, iat= 594, 601, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 41 GLU HN 41 GLU HG3 3.70 &rst ixpk= 0, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 41 GLU HN 42 GLN HN 3.70 &rst ixpk= 0, nxpk= 0, iat= 594, 609, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 41 GLU HA 41 GLU HG2 4.00 &rst ixpk= 0, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 41 GLU HA 41 GLU HG3 4.00 &rst ixpk= 0, nxpk= 0, iat= 596, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 41 GLU HG2 42 GLN HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 601, 609, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 41 GLU HG3 42 GLN HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 602, 609, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 41 GLU QG 42 GLN HN 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 601, 602, &end # # 42 GLN HN 42 GLN HG2 4.90 &rst ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 42 GLN HN 42 GLN HG3 4.90 &rst ixpk= 0, nxpk= 0, iat= 609, 617, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 42 GLN HN 42 GLN QG 4.62 &rst ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 616, 617, &end # # 42 GLN HN 42 GLN HE21 4.10 &rst ixpk= 0, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 42 GLN HN 42 GLN HE22 4.10 &rst ixpk= 0, nxpk= 0, iat= 609, 622, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 42 GLN HN 42 GLN QE2 3.44 &rst ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 621, 622, &end # # 42 GLN HN 43 ALA HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 609, 626, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 42 GLN HN 43 ALA QB 6.50 &rst ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2= 630, 631, 632, &end # # 42 GLN HA 42 GLN NE2 6.00 &rst ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2= 621, 622, &end # # 42 GLN HA 42 GLN HE21 6.00 &rst ixpk= 0, nxpk= 0, iat= 611, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 GLN HA 42 GLN HE22 6.00 &rst ixpk= 0, nxpk= 0, iat= 611, 622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 GLN HA 43 ALA HN 3.50 &rst ixpk= 0, nxpk= 0, iat= 611, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 42 GLN HA 43 ALA HA 5.00 &rst ixpk= 0, nxpk= 0, iat= 611, 628, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 42 GLN HA 43 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 630, 631, 632, &end # # 42 GLN HB2 42 GLN HE21 5.90 &rst ixpk= 0, nxpk= 0, iat= 613, 621, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 42 GLN HB2 42 GLN HE22 5.90 &rst ixpk= 0, nxpk= 0, iat= 613, 622, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 42 GLN HB2 43 ALA HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 613, 626, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 42 GLN HB2 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 42 GLN HB2 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 42 GLN HB3 42 GLN HE21 5.90 &rst ixpk= 0, nxpk= 0, iat= 614, 621, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 42 GLN HB3 42 GLN HE22 5.90 &rst ixpk= 0, nxpk= 0, iat= 614, 622, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 42 GLN HB3 43 ALA HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 614, 626, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 42 GLN HB3 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 42 GLN HB3 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 42 GLN QB 43 ALA HA 6.38 &rst ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 613, 614, &end # # 42 GLN QB 44 VAL QQG 8.52 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr1= 613, 614, &end # # 42 GLN HG2 43 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 616, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 GLN HG3 43 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 617, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 42 GLN QG 44 VAL HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 616, 617, &end # # 42 GLN HE21 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 42 GLN HE21 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 42 GLN HE22 44 VAL QG1 10.12 &rst ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 642, 643, 644, &end # # 42 GLN HE22 44 VAL QG2 10.12 &rst ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr2= 646, 647, 648, &end # # 42 GLN QE2 44 VAL QQG 8.52 &rst ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr1= 621, 622, &end # # 43 ALA HN 44 VAL HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 626, 636, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 43 ALA HN 44 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 626, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 43 ALA HA 44 VAL HA 4.40 &rst ixpk= 0, nxpk= 0, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 43 ALA HA 44 VAL QG1 7.00 &rst ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 642, 643, 644, &end # # 43 ALA HA 44 VAL QG2 7.00 &rst ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 646, 647, 648, &end # # 43 ALA QB 44 VAL HN 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 630, 631, 632, &end # # 43 ALA QB 44 VAL HA 5.10 &rst ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 630, 631, 632, &end # # 44 VAL HN 44 VAL HB 3.70 &rst ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 44 VAL HN 45 VAL HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 636, 652, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 44 VAL HA 45 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 638, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 44 VAL HA 47 TYR QE 8.00 &rst ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 689, 694, &end # # 44 VAL QQG 45 VAL HA 4.96 &rst ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 45 VAL HN 45 VAL QG1 4.70 &rst ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 658, 659, 660, &end # # 45 VAL HN 45 VAL QG2 4.70 &rst ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 662, 663, 664, &end # # 45 VAL HN 45 VAL QQG 3.93 &rst ixpk= 0, nxpk= 0, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 45 VAL HN 46 SER HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 652, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 45 VAL HA 45 VAL QG1 3.40 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr2= 658, 659, 660, &end # # 45 VAL HA 45 VAL QG2 3.40 &rst ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr2= 662, 663, 664, &end # # 45 VAL HA 46 SER HA 5.70 &rst ixpk= 0, nxpk= 0, iat= 654, 670, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end # # 45 VAL HB 46 SER HN 4.50 &rst ixpk= 0, nxpk= 0, iat= 656, 668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 VAL HB 46 SER QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 672, 673, &end # # 45 VAL QG1 46 SER HN 5.70 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 658, 659, 660, &end # # 45 VAL QG1 46 SER HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 658, 659, 660, &end # # 45 VAL QG1 47 TYR HB2 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 658, 659, 660, &end # # 45 VAL QG1 47 TYR HB3 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 658, 659, 660, &end # # 45 VAL QG2 46 SER HN 5.70 &rst ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 662, 663, 664, &end # # 45 VAL QG2 46 SER HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 662, 663, 664, &end # # 45 VAL QG2 47 TYR HB2 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 662, 663, 664, &end # # 45 VAL QG2 47 TYR HB3 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 662, 663, 664, &end # # 45 VAL QQG 46 SER HN 5.38 &rst ixpk= 0, nxpk= 0, iat= 655, 668, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 45 VAL QQG 47 TYR HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 655, 679, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 45 VAL QQG 47 TYR HA 8.56 &rst ixpk= 0, nxpk= 0, iat= 655, 681, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 45 VAL QQG 47 TYR QB 8.52 &rst ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06, igr2= 683, 684, &end # # 45 VAL QQG 56 LEU QB 9.36 &rst ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01, igr2= 821, 822, &end # # 45 VAL QQG 56 LEU QQD 11.13 &rst ixpk= 0, nxpk= 0, iat= 655, 823, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63, &end # # 46 SER HN 47 TYR QB 5.68 &rst ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 683, 684, &end # # 46 SER HN 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 46 SER HA 47 TYR QD 8.00 &rst ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr2= 687, 696, &end # # 46 SER HB2 47 TYR HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 672, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 46 SER HB3 47 TYR HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 46 SER QB 47 TYR QE 8.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, igr1= 672, 673, igr2= 689, 694, &end # # 47 TYR HN 47 TYR QE 6.90 &rst ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2= 689, 694, &end # # 47 TYR HA 48 HIST QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2= 704, 705, &end # # 47 TYR HB2 48 HIST HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 47 TYR HB3 48 HIST HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 684, 700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 47 TYR QB 48 HIST HN 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 683, 684, &end # # 47 TYR QD 48 HIST HN 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 687, 696, &end # # 47 TYR QD 48 HIST HA 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 687, 696, &end # # 47 TYR QD 56 LEU QD1 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 687, 696, igr2= 826, 827, 828, &end # # 47 TYR QD 56 LEU QD2 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 687, 696, igr2= 830, 831, 832, &end # # 47 TYR QE 56 LEU QD1 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 689, 694, igr2= 826, 827, 828, &end # # 47 TYR QE 56 LEU QD2 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 689, 694, igr2= 830, 831, 832, &end # # 48 HIST HN 48 HIST HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 700, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 48 HIST HN 48 HIST HE1 6.00 &rst ixpk= 0, nxpk= 0, iat= 700, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 48 HIST HA 48 HIST HD2 6.00 &rst ixpk= 0, nxpk= 0, iat= 702, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 48 HIST HA 48 HIST HE1 6.00 &rst ixpk= 0, nxpk= 0, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 48 HIST HE1 57 THR HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 709, 836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN HN 54 GLN QB 3.90 &rst ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 785, 786, &end # # 54 GLN HN 54 GLN HG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 781, 788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN HN 54 GLN HG3 6.00 &rst ixpk= 0, nxpk= 0, iat= 781, 789, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN HN 54 GLN QG 5.59 &rst ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 788, 789, &end # # 54 GLN HN 55 ILE HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 781, 798, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 54 GLN HA 54 GLN HE21 6.00 &rst ixpk= 0, nxpk= 0, iat= 783, 793, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN HA 54 GLN HE22 6.00 &rst ixpk= 0, nxpk= 0, iat= 783, 794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN QB 56 LEU HN 6.20 &rst ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, igr1= 785, 786, &end # # 54 GLN HG2 55 ILE HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 788, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN HG2 56 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 788, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN HG3 55 ILE HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 789, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 54 GLN HG3 56 LEU HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 789, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ILE HN 55 ILE HB 2.50 &rst ixpk= 0, nxpk= 0, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end # # 55 ILE HN 55 ILE HG12 4.30 &rst ixpk= 0, nxpk= 0, iat= 798, 808, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 55 ILE HN 55 ILE HG13 4.30 &rst ixpk= 0, nxpk= 0, iat= 798, 809, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 55 ILE HN 55 ILE QG1 3.60 &rst ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 808, 809, &end # # 55 ILE HN 55 ILE QD1 4.20 &rst ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 811, 812, 813, &end # # 55 ILE HN 56 LEU HN 4.60 &rst ixpk= 0, nxpk= 0, iat= 798, 817, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 55 ILE HN 56 LEU QD1 7.00 &rst ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 826, 827, 828, &end # # 55 ILE HN 56 LEU QD2 7.00 &rst ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 830, 831, 832, &end # # 55 ILE HN 57 THR HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 798, 836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 55 ILE HA 56 LEU HN 3.60 &rst ixpk= 0, nxpk= 0, iat= 800, 817, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 55 ILE HA 57 THR HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 800, 836, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 55 ILE HA 58 ASP HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 800, 850, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 55 ILE QG2 56 LEU HN 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 804, 805, 806, &end # # 55 ILE QG2 56 LEU HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 804, 805, 806, &end # # 55 ILE QG2 58 ASP HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 804, 805, 806, &end # # 55 ILE QG2 59 ALA QB 6.60 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02, igr1= 804, 805, 806, igr2= 866, 867, 868, &end # # 55 ILE QG1 56 LEU HN 5.78 &rst ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 808, 809, &end # # 55 ILE QG1 57 THR HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 808, 809, &end # # 55 ILE QG1 58 ASP HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 808, 809, &end # # 55 ILE QD1 56 LEU HN 5.80 &rst ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1= 811, 812, 813, &end # # 55 ILE QD1 56 LEU HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 811, 812, 813, &end # # 56 LEU HN 56 LEU HG 3.20 &rst ixpk= 0, nxpk= 0, iat= 817, 824, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 56 LEU HN 56 LEU QD1 5.80 &rst ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 826, 827, 828, &end # # 56 LEU HN 56 LEU QD2 5.80 &rst ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr2= 830, 831, 832, &end # # 56 LEU HN 57 THR HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 817, 836, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 56 LEU HN 59 ALA HN 5.80 &rst ixpk= 0, nxpk= 0, iat= 817, 862, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end # # 56 LEU HA 56 LEU QD1 5.40 &rst ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 826, 827, 828, &end # # 56 LEU HA 56 LEU QD2 5.40 &rst ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr2= 830, 831, 832, &end # # 56 LEU HA 58 ASP HN 5.60 &rst ixpk= 0, nxpk= 0, iat= 819, 850, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end # # 56 LEU HA 59 ALA HN 5.90 &rst ixpk= 0, nxpk= 0, iat= 819, 862, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end # # 56 LEU QB 58 ASP HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 821, 822, &end # # 56 LEU HG 67 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 987, 988, 989, &end # # 56 LEU QQD 57 THR HN 8.57 &rst ixpk= 0, nxpk= 0, iat= 823, 836, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07, &end # # 57 THR HN 58 ASP HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 836, 850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 58 ASP HN 59 ALA HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 850, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 58 ASP HN 60 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 850, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 58 ASP HA 61 GLU HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 852, 888, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 58 ASP HA 61 GLU HB2 4.40 &rst ixpk= 0, nxpk= 0, iat= 852, 892, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 58 ASP HA 61 GLU HB3 4.40 &rst ixpk= 0, nxpk= 0, iat= 852, 893, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 58 ASP HA 61 GLU QB 4.16 &rst ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 892, 893, &end # # 58 ASP HA 61 GLU HG2 6.00 &rst ixpk= 0, nxpk= 0, iat= 852, 895, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ASP HA 61 GLU HG3 6.00 &rst ixpk= 0, nxpk= 0, iat= 852, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 58 ASP HA 61 GLU QG 5.64 &rst ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 895, 896, &end # # 58 ASP HA 62 ARG HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 852, 903, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 58 ASP HB2 59 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 854, 862, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 58 ASP HB3 59 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 855, 862, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 58 ASP QB 59 ALA HN 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 854, 855, &end # # 58 ASP QB 59 ALA QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 854, 855, igr2= 866, 867, 868, &end # # 58 ASP QB 60 VAL HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 854, 855, &end # # 58 ASP QB 61 GLU HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 854, 855, &end # # 59 ALA HN 60 VAL HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 862, 872, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 59 ALA HN 60 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 862, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 59 ALA HN 62 ARG HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 862, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 59 ALA HA 61 GLU HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 864, 888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 59 ALA HA 62 ARG HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 864, 903, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 59 ALA HA 62 ARG HB2 4.40 &rst ixpk= 0, nxpk= 0, iat= 864, 907, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 59 ALA HA 62 ARG HB3 4.40 &rst ixpk= 0, nxpk= 0, iat= 864, 908, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 59 ALA HA 62 ARG QB 4.16 &rst ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 907, 908, &end # # 59 ALA HA 62 ARG QD 6.88 &rst ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 913, 914, &end # # 59 ALA HA 63 ALA HN 5.40 &rst ixpk= 0, nxpk= 0, iat= 864, 927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 59 ALA QB 60 VAL HN 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 866, 867, 868, &end # # 59 ALA QB 60 VAL HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 866, 867, 868, &end # # 59 ALA QB 61 GLU HN 5.60 &rst ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 866, 867, 868, &end # # 59 ALA QB 62 ARG HN 6.30 &rst ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1= 866, 867, 868, &end # # 59 ALA QB 63 ALA HN 6.20 &rst ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, igr1= 866, 867, 868, &end # # 60 VAL HN 60 VAL HB 4.00 &rst ixpk= 0, nxpk= 0, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 60 VAL HN 60 VAL QQG 4.20 &rst ixpk= 0, nxpk= 0, iat= 872, 875, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 60 VAL HN 61 GLU HN 3.90 &rst ixpk= 0, nxpk= 0, iat= 872, 888, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 60 VAL HN 62 ARG HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 872, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 60 VAL HN 63 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 872, 927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 60 VAL HA 62 ARG HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 874, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 60 VAL HA 63 ALA HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 874, 927, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 60 VAL HA 63 ALA QB 4.70 &rst ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 931, 932, 933, &end # # 60 VAL HA 64 GLY HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 874, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 60 VAL HA 65 TYR HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 874, 944, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 60 VAL HA 65 TYR QB 5.08 &rst ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 948, 949, &end # # 60 VAL HB 61 GLU HN 3.70 &rst ixpk= 0, nxpk= 0, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 60 VAL HB 67 ALA HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 876, 983, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 60 VAL HB 67 ALA QB 6.60 &rst ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr2= 987, 988, 989, &end # # 60 VAL QG1 61 GLU HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG1 61 GLU HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG1 63 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG1 65 TYR HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG1 65 TYR HB2 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 878, 879, 880, &end # # 60 VAL QG1 65 TYR HB3 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 878, 879, 880, &end # # 60 VAL QG1 66 HIS+ HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG1 67 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG1 67 ALA HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG1 67 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 878, 879, 880, igr2= 987, 988, 989, &end # # 60 VAL QG1 68 ARG HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 878, 879, 880, &end # # 60 VAL QG2 61 GLU HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QG2 61 GLU HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QG2 63 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QG2 65 TYR HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QG2 65 TYR HB2 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 882, 883, 884, &end # # 60 VAL QG2 65 TYR HB3 10.12 &rst ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65, igr1= 882, 883, 884, &end # # 60 VAL QG2 66 HIS+ HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QG2 67 ALA HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QG2 67 ALA HA 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QG2 67 ALA QB 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04, igr1= 882, 883, 884, igr2= 987, 988, 989, &end # # 60 VAL QG2 68 ARG HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 882, 883, 884, &end # # 60 VAL QQG 64 GLY HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 875, 937, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 60 VAL QQG 65 TYR QB 8.32 &rst ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr2= 948, 949, &end # # 60 VAL QQG 65 TYR QE 10.56 &rst ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35, igr2= 954, 959, &end # # 60 VAL QQG 66 HIS+ HN 8.56 &rst ixpk= 0, nxpk= 0, iat= 875, 965, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 61 GLU HN 61 GLU HB2 3.80 &rst ixpk= 0, nxpk= 0, iat= 888, 892, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 61 GLU HN 61 GLU HB3 3.80 &rst ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 61 GLU HN 61 GLU HG2 4.50 &rst ixpk= 0, nxpk= 0, iat= 888, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 GLU HN 61 GLU HG3 4.50 &rst ixpk= 0, nxpk= 0, iat= 888, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 GLU HN 61 GLU QG 4.31 &rst ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 895, 896, &end # # 61 GLU HN 62 ARG HN 3.90 &rst ixpk= 0, nxpk= 0, iat= 888, 903, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 61 GLU HN 62 ARG QB 5.28 &rst ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 907, 908, &end # # 61 GLU HN 63 ALA HN 5.00 &rst ixpk= 0, nxpk= 0, iat= 888, 927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 61 GLU HN 63 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 931, 932, 933, &end # # 61 GLU HN 64 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 888, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 GLU HN 66 HIS+ HA 5.20 &rst ixpk= 0, nxpk= 0, iat= 888, 967, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 61 GLU HA 63 ALA HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 890, 927, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 61 GLU HA 63 ALA QB 6.50 &rst ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr2= 931, 932, 933, &end # # 61 GLU HA 64 GLY HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 890, 937, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 61 GLU HA 64 GLY QA 6.88 &rst ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 939, 940, &end # # 61 GLU HA 65 TYR HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 890, 944, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 61 GLU HA 66 HIS+ QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 969, 970, &end # # 61 GLU HB2 62 ARG HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 892, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 61 GLU HB3 62 ARG HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 893, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 61 GLU QB 62 ARG HN 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 892, 893, &end # # 61 GLU QB 62 ARG HA 5.78 &rst ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 892, 893, &end # # 61 GLU QB 63 ALA HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 892, 893, &end # # 61 GLU QB 64 GLY HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 892, 893, &end # # 61 GLU QB 65 TYR HN 5.68 &rst ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 892, 893, &end # # 61 GLU HG2 62 ARG HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 895, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 GLU HG3 62 ARG HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 61 GLU QG 65 TYR HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 895, 896, &end # # 61 GLU QG 66 HIS+ HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 895, 896, &end # # 61 GLU QG 66 HIS+ HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 895, 896, &end # # 62 ARG HN 62 ARG HB2 3.60 &rst ixpk= 0, nxpk= 0, iat= 903, 907, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 62 ARG HN 62 ARG HB3 3.60 &rst ixpk= 0, nxpk= 0, iat= 903, 908, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 62 ARG HN 62 ARG QG 5.80 &rst ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 910, 911, &end # # 62 ARG HN 62 ARG HD2 6.00 &rst ixpk= 0, nxpk= 0, iat= 903, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 62 ARG HN 62 ARG HD3 6.00 &rst ixpk= 0, nxpk= 0, iat= 903, 914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 62 ARG HN 62 ARG QD 5.59 &rst ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 913, 914, &end # # 62 ARG HN 63 ALA HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 903, 927, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 62 ARG HN 63 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 931, 932, 933, &end # # 62 ARG HN 64 GLY HN 6.00 &rst ixpk= 0, nxpk= 0, iat= 903, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 62 ARG HA 62 ARG HD2 5.20 &rst ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 62 ARG HA 62 ARG HD3 5.20 &rst ixpk= 0, nxpk= 0, iat= 905, 914, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 62 ARG HA 62 ARG QD 4.88 &rst ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 913, 914, &end # # 62 ARG HA 63 ALA HA 4.80 &rst ixpk= 0, nxpk= 0, iat= 905, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 62 ARG HA 64 GLY HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 905, 937, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 62 ARG HB2 63 ALA HN 4.50 &rst ixpk= 0, nxpk= 0, iat= 907, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 ARG HB3 63 ALA HN 4.50 &rst ixpk= 0, nxpk= 0, iat= 908, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 ARG QB 63 ALA HN 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 907, 908, &end # # 62 ARG QB 63 ALA HA 5.68 &rst ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 907, 908, &end # # 62 ARG QB 64 GLY HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 907, 908, &end # # 62 ARG QD 63 ALA HN 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 913, 914, &end # # 62 ARG QD 63 ALA HA 6.88 &rst ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1= 913, 914, &end # # 63 ALA HN 64 GLY HN 3.70 &rst ixpk= 0, nxpk= 0, iat= 927, 937, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 63 ALA HN 64 GLY HA1 5.30 &rst ixpk= 0, nxpk= 0, iat= 927, 939, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 63 ALA HN 64 GLY HA2 5.30 &rst ixpk= 0, nxpk= 0, iat= 927, 940, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 63 ALA HA 65 TYR HN 4.70 &rst ixpk= 0, nxpk= 0, iat= 929, 944, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 63 ALA QB 64 GLY QA 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 931, 932, 933, igr2= 939, 940, &end # # 63 ALA QB 65 TYR HN 5.90 &rst ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 931, 932, 933, &end # # 63 ALA QB 65 TYR QB 7.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12, igr1= 931, 932, 933, igr2= 948, 949, &end # # 63 ALA QB 65 TYR QD 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 931, 932, 933, igr2= 952, 961, &end # # 63 ALA QB 65 TYR QE 9.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63, igr1= 931, 932, 933, igr2= 954, 959, &end # # 64 GLY HN 65 TYR HN 3.60 &rst ixpk= 0, nxpk= 0, iat= 937, 944, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 64 GLY HN 65 TYR HA 4.90 &rst ixpk= 0, nxpk= 0, iat= 937, 946, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 64 GLY QA 65 TYR HA 6.18 &rst ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1= 939, 940, &end # # 64 GLY QA 66 HIS+ HN 6.78 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 939, 940, &end # # 65 TYR HN 65 TYR QE 6.30 &rst ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2= 954, 959, &end # # 65 TYR HN 66 HIS+ HN 5.20 &rst ixpk= 0, nxpk= 0, iat= 944, 965, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 65 TYR HN 66 HIS+ HA 5.40 &rst ixpk= 0, nxpk= 0, iat= 944, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 65 TYR HA 65 TYR QE 5.80 &rst ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 954, 959, &end # # 65 TYR HA 66 HIS+ QB 5.08 &rst ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 969, 970, &end # # 65 TYR HB2 66 HIS+ HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 948, 965, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 65 TYR HB3 66 HIS+ HN 3.80 &rst ixpk= 0, nxpk= 0, iat= 949, 965, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 65 TYR QB 66 HIS+ HN 3.55 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 948, 949, &end # # 65 TYR QE 66 HIS+ HN 8.00 &rst ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48, igr1= 954, 959, &end # # 66 HIS+ HN 67 ALA HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 965, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 66 HIS+ HA 67 ALA HN 3.50 &rst ixpk= 0, nxpk= 0, iat= 967, 983, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 66 HIS+ HA 67 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 967, 985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 66 HIS+ HA 67 ALA QB 7.00 &rst ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2= 987, 988, 989, &end # # 66 HIS+ HB2 67 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 969, 983, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 66 HIS+ HB3 67 ALA HN 4.10 &rst ixpk= 0, nxpk= 0, iat= 970, 983, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 67 ALA HN 68 ARG HN 5.30 &rst ixpk= 0, nxpk= 0, iat= 983, 993, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 67 ALA HA 68 ARG HN 3.20 &rst ixpk= 0, nxpk= 0, iat= 985, 993, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 67 ALA HA 68 ARG QB 6.88 &rst ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2= 997, 998, &end # # 67 ALA HA 68 ARG QG 6.88 &rst ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr2=1000,1001, &end # # 67 ALA QB 68 ARG HN 4.20 &rst ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 987, 988, 989, &end # # 68 ARG HN 68 ARG HG2 4.80 &rst ixpk= 0, nxpk= 0, iat= 993,1000, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 68 ARG HN 68 ARG HG3 4.80 &rst ixpk= 0, nxpk= 0, iat= 993,1001, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 68 ARG HN 68 ARG QG 4.42 &rst ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1000,1001, &end # # 68 ARG HN 68 ARG QD 7.00 &rst ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1003,1004, &end # # 68 ARG HN 69 VAL HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 993,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 ARG HA 68 ARG QD 6.70 &rst ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr2=1003,1004, &end # # 68 ARG HA 69 VAL HN 3.50 &rst ixpk= 0, nxpk= 0, iat= 995,1017, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 ARG HA 69 VAL QQG 8.56 &rst ixpk= 0, nxpk= 0, iat= 995,1020, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06, &end # # 68 ARG HB2 69 VAL HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 997,1017, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 68 ARG HB2 69 VAL HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 ARG HB3 69 VAL HN 4.20 &rst ixpk= 0, nxpk= 0, iat= 998,1017, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 68 ARG HB3 69 VAL HA 6.00 &rst ixpk= 0, nxpk= 0, iat= 998,1019, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 ARG HG2 69 VAL HN 6.00 &rst ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 ARG HG3 69 VAL HN 6.00 &rst ixpk= 0, nxpk= 0, iat=1001,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end # # 68 ARG QD 69 VAL HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1003,1004, &end # # 69 VAL HN 69 VAL HB 3.40 &rst ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 69 VAL HN 69 VAL QG1 4.10 &rst ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1023,1024,1025, &end # # 69 VAL HN 69 VAL QG2 4.10 &rst ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1027,1028,1029, &end # # 69 VAL HN 70 LEU HN 5.50 &rst ixpk= 0, nxpk= 0, iat=1017,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 69 VAL HA 70 LEU HN 3.50 &rst ixpk= 0, nxpk= 0, iat=1019,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 69 VAL HA 70 LEU HB2 5.50 &rst ixpk= 0, nxpk= 0, iat=1019,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 69 VAL HA 70 LEU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat=1019,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 69 VAL HA 70 LEU QB 5.28 &rst ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=1037,1038, &end # # 69 VAL HB 70 LEU HN 5.10 &rst ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 69 VAL HB 70 LEU HA 5.00 &rst ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 69 VAL QG1 70 LEU HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1023,1024,1025, &end # # 69 VAL QG2 70 LEU HN 7.00 &rst ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1027,1028,1029, &end # # 69 VAL QQG 70 LEU HA 5.86 &rst ixpk= 0, nxpk= 0, iat=1020,1035, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end # # 70 LEU HN 70 LEU QB 3.76 &rst ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2=1037,1038, &end # # 70 LEU HN 70 LEU HG 2.70 &rst ixpk= 0, nxpk= 0, iat=1033,1040, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 70 LEU HN 70 LEU QD1 7.00 &rst ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1042,1043,1044, &end # # 70 LEU HN 70 LEU QD2 7.00 &rst ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1046,1047,1048, &end # # 70 LEU HN 70 LEU QQD 5.92 &rst ixpk= 0, nxpk= 0, iat=1033,1039, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end # # 70 LEU HA 70 LEU HG 4.10 &rst ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 70 LEU HA 70 LEU QD1 5.90 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1042,1043,1044, &end # # 70 LEU HA 70 LEU QD2 5.90 &rst ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr2=1046,1047,1048, &end # # 80 THR HA 80 THR HB 2.40 &rst ixpk= 0, nxpk= 0, iat=1201,1203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end # # 81 GLU HN 81 GLU QG 6.90 &rst ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=1220,1221, &end # # 83 ARG HN 83 ARG QG 5.80 &rst ixpk= 0, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2=1247,1248, &end # # 83 ARG HN 83 ARG QD 7.00 &rst ixpk= 0, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1250,1251, &end # # 83 ARG HA 83 ARG QD 6.90 &rst ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, igr2=1250,1251, &end # # 84 LYS HN 84 LYS QG 5.90 &rst ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=1271,1272, &end # # 84 LYS HN 84 LYS QD 6.60 &rst ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1274,1275, &end # # 84 LYS HA 84 LYS QD 6.30 &rst ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=1274,1275, &end
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