NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
492114 | 2k32 | 15735 | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
# # 2 VAL H 100 THR HB 4.86 &rst ixpk= 0, nxpk= 0, iat= 16,1539, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, rk2=50, rk3=50, ir6=1, ialtd=0, &end # # 2 VAL HA 2 VAL HB 2.81 &rst ixpk= 0, nxpk= 0, iat= 18, 20, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end # # 2 VAL HA 2 VAL QG1 3.84 &rst ixpk= 0, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 22, 23, 24, &end # # 2 VAL HA 3 ILE H 2.90 &rst ixpk= 0, nxpk= 0, iat= 18, 32, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 2 VAL HB 100 THR HA 5.06 &rst ixpk= 0, nxpk= 0, iat= 20,1537, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 2 VAL HB 100 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 20,1539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 2 VAL HB 3 ILE H 3.92 &rst ixpk= 0, nxpk= 0, iat= 20, 32, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 2 VAL HB 98 ARG HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 20,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 2 VAL HB 99 VAL H 4.89 &rst ixpk= 0, nxpk= 0, iat= 20,1519, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 2 VAL QG2 3 ILE H 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 26, 27, 28, &end # # 2 VAL QG2 4 ILE HA 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 26, 27, 28, &end # # 2 VAL QG2 99 VAL H 4.03 &rst ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 26, 27, 28, &end # # 3 ILE H 3 ILE HB 3.39 &rst ixpk= 0, nxpk= 0, iat= 32, 36, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 3 ILE H 3 ILE HG12 4.24 &rst ixpk= 0, nxpk= 0, iat= 32, 42, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 3 ILE H 3 ILE QD1 4.39 &rst ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 45, 46, 47, &end # # 3 ILE HA 3 ILE HG12 3.92 &rst ixpk= 0, nxpk= 0, iat= 34, 42, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 3 ILE HA 3 ILE HG13 4.16 &rst ixpk= 0, nxpk= 0, iat= 34, 43, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 3 ILE HA 3 ILE QD1 4.14 &rst ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 45, 46, 47, &end # # 3 ILE HA 3 ILE QG2 3.81 &rst ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 38, 39, 40, &end # # 3 ILE HA 4 ILE H 3.44 &rst ixpk= 0, nxpk= 0, iat= 34, 51, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 3 ILE HA 98 ARG HA 2.88 &rst ixpk= 0, nxpk= 0, iat= 34,1497, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end # # 3 ILE HA 98 ARG HD3 5.50 &rst ixpk= 0, nxpk= 0, iat= 34,1506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 ILE HA 99 VAL H 4.08 &rst ixpk= 0, nxpk= 0, iat= 34,1519, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 3 ILE HB 5 LYS HE3 4.60 &rst ixpk= 0, nxpk= 0, iat= 36, 84, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 3 ILE HB 98 ARG HA 5.29 &rst ixpk= 0, nxpk= 0, iat= 36,1497, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 3 ILE HG13 98 ARG HA 4.52 &rst ixpk= 0, nxpk= 0, iat= 43,1497, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 3 ILE QD1 4 ILE H 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 45, 46, 47, &end # # 3 ILE QD1 98 ARG HA 4.52 &rst ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 45, 46, 47, &end # # 3 ILE QD1 98 ARG HB2 3.66 &rst ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 45, 46, 47, &end # # 3 ILE QD1 98 ARG HB3 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 45, 46, 47, &end # # 3 ILE QD1 98 ARG HD2 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 45, 46, 47, &end # # 3 ILE QD1 98 ARG HD3 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 45, 46, 47, &end # # 3 ILE QD1 99 VAL H 5.16 &rst ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 45, 46, 47, &end # # 3 ILE QG2 4 ILE H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 38, 39, 40, &end # # 3 ILE QG2 5 LYS HE3 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 38, 39, 40, &end # # 3 ILE QG2 95 GLU HA 3.72 &rst ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 38, 39, 40, &end # # 3 ILE QG2 95 GLU HG2 4.26 &rst ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 38, 39, 40, &end # # 3 ILE QG2 95 GLU HG3 4.09 &rst ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 38, 39, 40, &end # # 3 ILE QG2 96 LEU H 4.54 &rst ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 38, 39, 40, &end # # 3 ILE QG2 97 VAL H 4.42 &rst ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 38, 39, 40, &end # # 3 ILE QG2 98 ARG HA 4.20 &rst ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 38, 39, 40, &end # # 4 ILE H 4 ILE HB 3.69 &rst ixpk= 0, nxpk= 0, iat= 51, 55, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 4 ILE H 4 ILE HG12 4.82 &rst ixpk= 0, nxpk= 0, iat= 51, 61, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 4 ILE H 4 ILE HG13 4.26 &rst ixpk= 0, nxpk= 0, iat= 51, 62, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 4 ILE H 5 LYS H 4.95 &rst ixpk= 0, nxpk= 0, iat= 51, 70, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 4 ILE H 97 VAL H 4.69 &rst ixpk= 0, nxpk= 0, iat= 51,1479, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 4 ILE H 97 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1489,1490,1491, &end # # 4 ILE H 98 ARG HA 4.21 &rst ixpk= 0, nxpk= 0, iat= 51,1497, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 4 ILE H 98 ARG HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 51,1500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 ILE HA 4 ILE HG13 4.19 &rst ixpk= 0, nxpk= 0, iat= 53, 62, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 4 ILE HA 4 ILE QD1 4.12 &rst ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 64, 65, 66, &end # # 4 ILE HA 4 ILE QG2 3.52 &rst ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 57, 58, 59, &end # # 4 ILE HA 5 LYS H 3.07 &rst ixpk= 0, nxpk= 0, iat= 53, 70, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 4 ILE HA 5 LYS HA 5.07 &rst ixpk= 0, nxpk= 0, iat= 53, 72, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 4 ILE HA 5 LYS HE3 5.50 &rst ixpk= 0, nxpk= 0, iat= 53, 84, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 ILE HA 73 PRO HD3 5.24 &rst ixpk= 0, nxpk= 0, iat= 53,1148, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 4 ILE HA 97 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat= 53,1479, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 ILE HB 4 ILE QD1 4.22 &rst ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 64, 65, 66, &end # # 4 ILE HB 5 LYS H 4.83 &rst ixpk= 0, nxpk= 0, iat= 55, 70, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 4 ILE HB 96 LEU QD1 4.73 &rst ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1469,1470,1471, &end # # 4 ILE HB 97 VAL H 4.27 &rst ixpk= 0, nxpk= 0, iat= 55,1479, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 4 ILE HG12 30 PHE HE 5.33 &rst ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2= 483, 487, &end # # 4 ILE HG12 5 LYS H 5.36 &rst ixpk= 0, nxpk= 0, iat= 61, 70, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 4 ILE HG12 72 ALA HA 3.75 &rst ixpk= 0, nxpk= 0, iat= 61,1138, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 4 ILE HG13 5 LYS H 4.99 &rst ixpk= 0, nxpk= 0, iat= 62, 70, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 4 ILE HG13 73 PRO HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 62,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 ILE HG13 73 PRO HD3 5.50 &rst ixpk= 0, nxpk= 0, iat= 62,1148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 ILE QD1 29 LEU QD1 3.76 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 64, 65, 66, igr2= 463, 464, 465, &end # # 4 ILE QD1 30 PHE HE 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 64, 65, 66, igr2= 483, 487, &end # # 4 ILE QD1 5 LYS H 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 64, 65, 66, &end # # 4 ILE QD1 5 LYS HA 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 64, 65, 66, &end # # 4 ILE QD1 72 ALA HA 3.86 &rst ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 64, 65, 66, &end # # 4 ILE QD1 73 PRO HD3 4.22 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 64, 65, 66, &end # # 4 ILE QG2 30 PHE HD 5.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 57, 58, 59, igr2= 481, 489, &end # # 4 ILE QG2 30 PHE HE 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 57, 58, 59, igr2= 483, 487, &end # # 4 ILE QG2 4 ILE HG12 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 57, 58, 59, &end # # 4 ILE QG2 4 ILE QD1 3.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 57, 58, 59, igr2= 64, 65, 66, &end # # 4 ILE QG2 5 LYS H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 57, 58, 59, &end # # 4 ILE QG2 5 LYS HA 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 57, 58, 59, &end # # 4 ILE QG2 5 LYS HB2 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 57, 58, 59, &end # # 4 ILE QG2 6 PRO HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 57, 58, 59, &end # # 4 ILE QG2 73 PRO HD2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 57, 58, 59, &end # # 4 ILE QG2 73 PRO HD3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 57, 58, 59, &end # # 4 ILE QG2 96 LEU QD1 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 57, 58, 59, igr2=1469,1470,1471, &end # # 4 ILE QG2 97 VAL H 4.07 &rst ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 57, 58, 59, &end # # 5 LYS H 5 LYS HB3 3.88 &rst ixpk= 0, nxpk= 0, iat= 70, 75, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 5 LYS H 5 LYS HD2 5.39 &rst ixpk= 0, nxpk= 0, iat= 70, 80, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 5 LYS H 5 LYS HG2 4.53 &rst ixpk= 0, nxpk= 0, iat= 70, 77, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 5 LYS H 5 LYS HG3 5.50 &rst ixpk= 0, nxpk= 0, iat= 70, 78, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS H 96 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1469,1470,1471, &end # # 5 LYS HA 5 LYS HD2 4.93 &rst ixpk= 0, nxpk= 0, iat= 72, 80, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 5 LYS HA 5 LYS HD3 4.77 &rst ixpk= 0, nxpk= 0, iat= 72, 81, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 5 LYS HA 5 LYS HE3 4.90 &rst ixpk= 0, nxpk= 0, iat= 72, 84, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 5 LYS HA 5 LYS HG2 4.02 &rst ixpk= 0, nxpk= 0, iat= 72, 77, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 5 LYS HA 5 LYS HG3 3.77 &rst ixpk= 0, nxpk= 0, iat= 72, 78, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 5 LYS HA 6 PRO HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 72, 99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HA 6 PRO HB3 5.02 &rst ixpk= 0, nxpk= 0, iat= 72, 100, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 5 LYS HA 6 PRO HD2 3.33 &rst ixpk= 0, nxpk= 0, iat= 72, 93, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 5 LYS HA 6 PRO HD3 3.47 &rst ixpk= 0, nxpk= 0, iat= 72, 94, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 5 LYS HA 6 PRO HG2 4.74 &rst ixpk= 0, nxpk= 0, iat= 72, 96, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 5 LYS HA 6 PRO HG3 4.31 &rst ixpk= 0, nxpk= 0, iat= 72, 97, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 5 LYS HA 91 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 72,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HA 92 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 72,1408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HA 95 GLU HA 4.12 &rst ixpk= 0, nxpk= 0, iat= 72,1447, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 5 LYS HA 96 LEU H 4.45 &rst ixpk= 0, nxpk= 0, iat= 72,1460, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 5 LYS HA 96 LEU HG 4.52 &rst ixpk= 0, nxpk= 0, iat= 72,1467, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 5 LYS HA 96 LEU QD1 4.16 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1469,1470,1471, &end # # 5 LYS HA 96 LEU QD2 4.88 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=1473,1474,1475, &end # # 5 LYS HA 97 VAL H 5.29 &rst ixpk= 0, nxpk= 0, iat= 72,1479, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 5 LYS HB2 92 SER HA 4.03 &rst ixpk= 0, nxpk= 0, iat= 74,1408, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 5 LYS HB3 5 LYS HE2 4.98 &rst ixpk= 0, nxpk= 0, iat= 75, 83, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 5 LYS HB3 6 PRO HD2 4.27 &rst ixpk= 0, nxpk= 0, iat= 75, 93, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 5 LYS HB3 6 PRO HD3 3.74 &rst ixpk= 0, nxpk= 0, iat= 75, 94, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 5 LYS HB3 92 SER H 5.40 &rst ixpk= 0, nxpk= 0, iat= 75,1406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 5 LYS HB3 92 SER HA 3.52 &rst ixpk= 0, nxpk= 0, iat= 75,1408, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 5 LYS HB3 93 THR H 5.50 &rst ixpk= 0, nxpk= 0, iat= 75,1417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HB3 96 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat= 75,1460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HB3 96 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1469,1470,1471, &end # # 5 LYS HD2 92 SER HA 5.06 &rst ixpk= 0, nxpk= 0, iat= 80,1408, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 5 LYS HD2 92 SER HB3 5.47 &rst ixpk= 0, nxpk= 0, iat= 80,1411, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 5 LYS HD3 92 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 81,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HD3 95 GLU HA 5.18 &rst ixpk= 0, nxpk= 0, iat= 81,1447, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 5 LYS HD3 96 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1469,1470,1471, &end # # 5 LYS HE2 92 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 83,1408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HE2 95 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 83,1447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HE2 95 GLU HG2 4.83 &rst ixpk= 0, nxpk= 0, iat= 83,1452, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 5 LYS HE2 95 GLU HG3 3.73 &rst ixpk= 0, nxpk= 0, iat= 83,1453, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 5 LYS HG2 5 LYS HE2 4.01 &rst ixpk= 0, nxpk= 0, iat= 77, 83, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 5 LYS HG2 92 SER HA 5.32 &rst ixpk= 0, nxpk= 0, iat= 77,1408, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 5 LYS HG2 96 LEU H 5.50 &rst ixpk= 0, nxpk= 0, iat= 77,1460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LYS HG3 5 LYS HE2 3.70 &rst ixpk= 0, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 5 LYS HG3 5 LYS HE3 3.26 &rst ixpk= 0, nxpk= 0, iat= 78, 84, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 5 LYS HG3 6 PRO HD2 5.04 &rst ixpk= 0, nxpk= 0, iat= 78, 93, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 5 LYS HG3 95 GLU HA 3.72 &rst ixpk= 0, nxpk= 0, iat= 78,1447, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 6 PRO HA 32 ILE QD1 4.41 &rst ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 525, 526, 527, &end # # 6 PRO HA 70 ILE QD1 4.07 &rst ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=1108,1109,1110, &end # # 6 PRO HA 8 VAL H 4.47 &rst ixpk= 0, nxpk= 0, iat= 102, 123, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 6 PRO HA 91 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 102,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 PRO HA 96 LEU QD1 3.53 &rst ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1469,1470,1471, &end # # 6 PRO HB2 32 ILE QD1 4.28 &rst ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 525, 526, 527, &end # # 6 PRO HB2 8 VAL H 3.96 &rst ixpk= 0, nxpk= 0, iat= 99, 123, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 6 PRO HB2 8 VAL QG2 4.47 &rst ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 133, 134, 135, &end # # 6 PRO HB2 91 ALA HA 3.89 &rst ixpk= 0, nxpk= 0, iat= 99,1398, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 6 PRO HB2 96 LEU QD1 4.47 &rst ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2=1469,1470,1471, &end # # 6 PRO HB3 32 ILE QD1 3.87 &rst ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 525, 526, 527, &end # # 6 PRO HB3 70 ILE QD1 3.55 &rst ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2=1108,1109,1110, &end # # 6 PRO HB3 70 ILE QG2 4.08 &rst ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2=1101,1102,1103, &end # # 6 PRO HB3 8 VAL H 4.63 &rst ixpk= 0, nxpk= 0, iat= 100, 123, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 6 PRO HB3 91 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 100,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 PRO HB3 96 LEU QD1 3.48 &rst ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=1469,1470,1471, &end # # 6 PRO HD2 92 SER H 5.50 &rst ixpk= 0, nxpk= 0, iat= 93,1406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 PRO HD2 96 LEU H 4.93 &rst ixpk= 0, nxpk= 0, iat= 93,1460, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 6 PRO HD2 96 LEU QD1 4.13 &rst ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1469,1470,1471, &end # # 6 PRO HD2 96 LEU QD2 4.04 &rst ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=1473,1474,1475, &end # # 6 PRO HD3 70 ILE QG2 5.02 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=1101,1102,1103, &end # # 6 PRO HD3 96 LEU H 5.35 &rst ixpk= 0, nxpk= 0, iat= 94,1460, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 6 PRO HD3 96 LEU HG 4.68 &rst ixpk= 0, nxpk= 0, iat= 94,1467, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 6 PRO HD3 96 LEU QD1 4.60 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=1469,1470,1471, &end # # 6 PRO HD3 96 LEU QD2 4.68 &rst ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=1473,1474,1475, &end # # 6 PRO HG2 89 VAL QG2 5.04 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=1379,1380,1381, &end # # 6 PRO HG2 8 VAL H 4.89 &rst ixpk= 0, nxpk= 0, iat= 96, 123, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 6 PRO HG2 90 SER H 5.50 &rst ixpk= 0, nxpk= 0, iat= 96,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 PRO HG2 91 ALA HA 3.43 &rst ixpk= 0, nxpk= 0, iat= 96,1398, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 6 PRO HG2 91 ALA QB 5.24 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1400,1401,1402, &end # # 6 PRO HG2 92 SER H 5.09 &rst ixpk= 0, nxpk= 0, iat= 96,1406, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 6 PRO HG2 92 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 96,1408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 PRO HG2 96 LEU QD2 4.76 &rst ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=1473,1474,1475, &end # # 6 PRO HG3 32 ILE QD1 4.08 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, igr2= 525, 526, 527, &end # # 6 PRO HG3 89 VAL QG2 4.52 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=1379,1380,1381, &end # # 6 PRO HG3 8 VAL H 5.39 &rst ixpk= 0, nxpk= 0, iat= 97, 123, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 6 PRO HG3 90 SER H 5.29 &rst ixpk= 0, nxpk= 0, iat= 97,1385, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 6 PRO HG3 91 ALA HA 3.89 &rst ixpk= 0, nxpk= 0, iat= 97,1398, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 6 PRO HG3 96 LEU QD1 3.77 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=1469,1470,1471, &end # # 6 PRO HG3 96 LEU QD2 4.30 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1473,1474,1475, &end # # 7 GLN H 7 GLN HG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 106, 113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 GLN HA 7 GLN HG2 4.05 &rst ixpk= 0, nxpk= 0, iat= 108, 113, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 7 GLN HA 7 GLN HG3 3.99 &rst ixpk= 0, nxpk= 0, iat= 108, 114, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 7 GLN HA 91 ALA HA 4.88 &rst ixpk= 0, nxpk= 0, iat= 108,1398, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 7 GLN HB2 68 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1072,1073,1074, &end # # 7 GLN HB2 8 VAL H 4.95 &rst ixpk= 0, nxpk= 0, iat= 110, 123, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 7 GLN HB2 8 VAL QG1 4.89 &rst ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 129, 130, 131, &end # # 7 GLN HB3 68 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1072,1073,1074, &end # # 7 GLN HB3 8 VAL H 5.02 &rst ixpk= 0, nxpk= 0, iat= 111, 123, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 7 GLN HB3 8 VAL QG1 4.80 &rst ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2= 129, 130, 131, &end # # 7 GLN HNE1 68 THR QG2 5.43 &rst ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2=1072,1073,1074, &end # # 7 GLN HNE2 68 THR QG2 4.92 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2=1072,1073,1074, &end # # 7 GLN HNE2 70 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1108,1109,1110, &end # # 7 GLN HNE2 8 VAL QG1 5.43 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 129, 130, 131, &end # # 7 GLN HG2 68 THR QG2 5.47 &rst ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=1072,1073,1074, &end # # 7 GLN HG2 8 VAL H 5.29 &rst ixpk= 0, nxpk= 0, iat= 113, 123, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 7 GLN HG2 8 VAL QG1 4.41 &rst ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 129, 130, 131, &end # # 7 GLN HG2 8 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 133, 134, 135, &end # # 7 GLN HG3 68 THR QG2 5.23 &rst ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr2=1072,1073,1074, &end # # 7 GLN HG3 8 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 GLN HG3 8 VAL QG1 4.06 &rst ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 129, 130, 131, &end # # 8 VAL H 32 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 525, 526, 527, &end # # 8 VAL H 68 THR QG2 4.80 &rst ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=1072,1073,1074, &end # # 8 VAL H 8 VAL QG1 4.53 &rst ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 129, 130, 131, &end # # 8 VAL H 8 VAL QG2 3.64 &rst ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 133, 134, 135, &end # # 8 VAL H 91 ALA HA 4.82 &rst ixpk= 0, nxpk= 0, iat= 123,1398, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 8 VAL H 91 ALA QB 4.86 &rst ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=1400,1401,1402, &end # # 8 VAL HA 8 VAL HB 2.67 &rst ixpk= 0, nxpk= 0, iat= 125, 127, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end # # 8 VAL HA 8 VAL QG1 3.23 &rst ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 129, 130, 131, &end # # 8 VAL HA 8 VAL QG2 3.54 &rst ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 133, 134, 135, &end # # 8 VAL HA 9 SER H 3.26 &rst ixpk= 0, nxpk= 0, iat= 125, 139, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 8 VAL HA 9 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 125, 144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 VAL HB 34 GLN HNE1 5.50 &rst ixpk= 0, nxpk= 0, iat= 127, 558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 VAL HB 34 GLN HNE2 4.16 &rst ixpk= 0, nxpk= 0, iat= 127, 559, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 8 VAL HB 9 SER H 3.48 &rst ixpk= 0, nxpk= 0, iat= 127, 139, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 8 VAL QG1 34 GLN HNE1 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 129, 130, 131, &end # # 8 VAL QG1 34 GLN HNE2 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 129, 130, 131, &end # # 8 VAL QG1 9 SER H 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 129, 130, 131, &end # # 8 VAL QG2 32 ILE QD1 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 133, 134, 135, igr2= 525, 526, 527, &end # # 8 VAL QG2 32 ILE QG2 3.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 133, 134, 135, igr2= 518, 519, 520, &end # # 8 VAL QG2 34 GLN HA 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 133, 134, 135, &end # # 8 VAL QG2 34 GLN HB2 5.09 &rst ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 133, 134, 135, &end # # 8 VAL QG2 34 GLN HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 133, 134, 135, &end # # 8 VAL QG2 34 GLN HG2 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 133, 134, 135, &end # # 8 VAL QG2 34 GLN HG3 4.14 &rst ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 133, 134, 135, &end # # 8 VAL QG2 67 HIS HA 5.12 &rst ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 133, 134, 135, &end # # 8 VAL QG2 68 THR HB 4.06 &rst ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 133, 134, 135, &end # # 8 VAL QG2 68 THR QG2 4.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 133, 134, 135, igr2=1072,1073,1074, &end # # 8 VAL QG2 9 SER H 4.35 &rst ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 133, 134, 135, &end # # 8 VAL QG2 9 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 133, 134, 135, &end # # 9 SER H 91 ALA QB 4.39 &rst ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=1400,1401,1402, &end # # 9 SER H 9 SER HB2 4.18 &rst ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 9 SER H 9 SER HB3 4.02 &rst ixpk= 0, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 9 SER HA 10 GLY H 3.43 &rst ixpk= 0, nxpk= 0, iat= 141, 150, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 9 SER HA 32 ILE QD1 5.18 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2= 525, 526, 527, &end # # 9 SER HA 32 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 518, 519, 520, &end # # 9 SER HA 88 TYR HE 5.34 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1358,1363, &end # # 9 SER HA 89 VAL QG2 3.93 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1379,1380,1381, &end # # 9 SER HA 90 SER HB2 4.55 &rst ixpk= 0, nxpk= 0, iat= 141,1389, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 9 SER HA 91 ALA H 4.39 &rst ixpk= 0, nxpk= 0, iat= 141,1396, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 9 SER HA 91 ALA HA 4.45 &rst ixpk= 0, nxpk= 0, iat= 141,1398, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 9 SER HA 91 ALA QB 5.01 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr2=1400,1401,1402, &end # # 9 SER HB2 10 GLY H 4.11 &rst ixpk= 0, nxpk= 0, iat= 143, 150, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 9 SER HB2 88 TYR HE 4.89 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1358,1363, &end # # 9 SER HB2 89 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1379,1380,1381, &end # # 9 SER HB2 90 SER HA 2.55 &rst ixpk= 0, nxpk= 0, iat= 143,1387, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end # # 9 SER HB2 91 ALA H 4.86 &rst ixpk= 0, nxpk= 0, iat= 143,1396, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 9 SER HB2 91 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1400,1401,1402, &end # # 9 SER HB3 10 GLY H 4.39 &rst ixpk= 0, nxpk= 0, iat= 144, 150, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 9 SER HB3 88 TYR HE 4.89 &rst ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=1358,1363, &end # # 9 SER HB3 91 ALA H 5.04 &rst ixpk= 0, nxpk= 0, iat= 144,1396, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 10 GLY H 11 VAL HA 4.48 &rst ixpk= 0, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 10 GLY H 32 ILE QD1 5.02 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2= 525, 526, 527, &end # # 10 GLY H 32 ILE QG2 5.28 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2= 518, 519, 520, &end # # 10 GLY H 89 VAL H 4.10 &rst ixpk= 0, nxpk= 0, iat= 150,1369, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 10 GLY H 89 VAL QG2 3.96 &rst ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1379,1380,1381, &end # # 10 GLY QA 11 VAL H 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 152, 153, &end # # 10 GLY QA 11 VAL HB 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 152, 153, &end # # 10 GLY QA 11 VAL QG1 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 152, 153, igr2= 163, 164, 165, &end # # 10 GLY QA 32 ILE QG2 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1= 152, 153, igr2= 518, 519, 520, &end # # 10 GLY QA 33 GLU H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 152, 153, &end # # 10 GLY QA 33 GLU QG 5.39 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1= 152, 153, igr2= 538, 539, &end # # 10 GLY QA 88 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 152, 153, igr2=1356,1365, &end # # 10 GLY QA 88 TYR HE 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 152, 153, igr2=1358,1363, &end # # 10 GLY QA 89 VAL QG2 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1= 152, 153, igr2=1379,1380,1381, &end # # 11 VAL H 11 VAL HB 3.44 &rst ixpk= 0, nxpk= 0, iat= 157, 161, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 11 VAL H 11 VAL QG1 3.53 &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 163, 164, 165, &end # # 11 VAL H 11 VAL QG2 4.11 &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 167, 168, 169, &end # # 11 VAL H 32 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 157, 516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 VAL H 32 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= 157, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 VAL H 32 ILE QG2 3.91 &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 518, 519, 520, &end # # 11 VAL H 33 GLU H 4.61 &rst ixpk= 0, nxpk= 0, iat= 157, 531, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 11 VAL H 33 GLU HB2 4.86 &rst ixpk= 0, nxpk= 0, iat= 157, 535, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 11 VAL HA 11 VAL QG1 3.30 &rst ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 163, 164, 165, &end # # 11 VAL HA 11 VAL QG2 3.64 &rst ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 167, 168, 169, &end # # 11 VAL HA 12 ILE H 3.31 &rst ixpk= 0, nxpk= 0, iat= 159, 173, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 11 VAL HA 12 ILE HB 5.05 &rst ixpk= 0, nxpk= 0, iat= 159, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 11 VAL HA 12 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= 159, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 VAL HA 88 TYR QB 5.31 &rst ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=1352,1353, &end # # 11 VAL HA 89 VAL H 4.23 &rst ixpk= 0, nxpk= 0, iat= 159,1369, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 11 VAL HA 89 VAL QG2 4.64 &rst ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1379,1380,1381, &end # # 11 VAL HB 12 ILE H 4.65 &rst ixpk= 0, nxpk= 0, iat= 161, 173, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 11 VAL HB 12 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 161, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 VAL HB 33 GLU H 4.70 &rst ixpk= 0, nxpk= 0, iat= 161, 531, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 11 VAL QG1 12 ILE H 4.10 &rst ixpk= 0, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 163, 164, 165, &end # # 11 VAL QG1 88 TYR HA 3.36 &rst ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 163, 164, 165, &end # # 11 VAL QG1 88 TYR QB 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 163, 164, 165, igr2=1352,1353, &end # # 11 VAL QG1 88 TYR HE 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 163, 164, 165, igr2=1358,1363, &end # # 11 VAL QG1 89 VAL H 3.74 &rst ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 163, 164, 165, &end # # 11 VAL QG2 12 ILE H 3.76 &rst ixpk= 0, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 167, 168, 169, &end # # 11 VAL QG2 12 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 167, 168, 169, &end # # 11 VAL QG2 86 GLY H 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 167, 168, 169, &end # # 11 VAL QG2 87 ASP H 4.72 &rst ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 167, 168, 169, &end # # 11 VAL QG2 88 TYR HA 5.22 &rst ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 167, 168, 169, &end # # 11 VAL QG2 88 TYR QB 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 167, 168, 169, igr2=1352,1353, &end # # 11 VAL QG2 88 TYR HD 4.94 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr1= 167, 168, 169, igr2=1356,1365, &end # # 12 ILE H 12 ILE HB 3.68 &rst ixpk= 0, nxpk= 0, iat= 173, 177, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 12 ILE H 12 ILE HG12 3.90 &rst ixpk= 0, nxpk= 0, iat= 173, 183, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 12 ILE H 12 ILE HG13 4.34 &rst ixpk= 0, nxpk= 0, iat= 173, 184, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 12 ILE H 12 ILE QD1 4.39 &rst ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 186, 187, 188, &end # # 12 ILE H 83 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1290,1291,1292, &end # # 12 ILE H 87 ASP H 4.50 &rst ixpk= 0, nxpk= 0, iat= 173,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 ILE H 89 VAL QG1 5.48 &rst ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=1375,1376,1377, &end # # 12 ILE HA 12 ILE HG12 3.96 &rst ixpk= 0, nxpk= 0, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 12 ILE HA 12 ILE QD1 3.33 &rst ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 186, 187, 188, &end # # 12 ILE HA 12 ILE QG2 3.38 &rst ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 179, 180, 181, &end # # 12 ILE HA 13 VAL H 3.37 &rst ixpk= 0, nxpk= 0, iat= 175, 192, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 12 ILE HA 13 VAL HB 4.90 &rst ixpk= 0, nxpk= 0, iat= 175, 196, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 12 ILE HA 13 VAL QG2 4.27 &rst ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 202, 203, 204, &end # # 12 ILE HA 14 ASN H 4.04 &rst ixpk= 0, nxpk= 0, iat= 175, 208, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 12 ILE HA 30 PHE HD 5.27 &rst ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2= 481, 489, &end # # 12 ILE HA 31 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 175, 497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HA 32 ILE HA 3.07 &rst ixpk= 0, nxpk= 0, iat= 175, 514, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 12 ILE HA 32 ILE HB 5.40 &rst ixpk= 0, nxpk= 0, iat= 175, 516, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 12 ILE HA 32 ILE HG12 4.98 &rst ixpk= 0, nxpk= 0, iat= 175, 522, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 12 ILE HA 32 ILE HG13 4.15 &rst ixpk= 0, nxpk= 0, iat= 175, 523, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 12 ILE HA 32 ILE QD1 4.87 &rst ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 525, 526, 527, &end # # 12 ILE HA 32 ILE QG2 4.33 &rst ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 518, 519, 520, &end # # 12 ILE HA 33 GLU H 4.27 &rst ixpk= 0, nxpk= 0, iat= 175, 531, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 12 ILE HB 12 ILE QD1 4.19 &rst ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 186, 187, 188, &end # # 12 ILE HB 85 ILE HA 3.50 &rst ixpk= 0, nxpk= 0, iat= 177,1312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 ILE HB 86 GLY H 4.07 &rst ixpk= 0, nxpk= 0, iat= 177,1329, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 12 ILE HB 86 GLY QA 5.50 &rst ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1331,1332, &end # # 12 ILE HB 87 ASP H 3.76 &rst ixpk= 0, nxpk= 0, iat= 177,1336, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 12 ILE HB 87 ASP HB2 4.55 &rst ixpk= 0, nxpk= 0, iat= 177,1340, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 12 ILE HG12 85 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 183,1312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HG12 87 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 183,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HG12 87 ASP HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 183,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HG12 89 VAL QG1 3.76 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=1375,1376,1377, &end # # 12 ILE HG12 89 VAL QG2 4.75 &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=1379,1380,1381, &end # # 12 ILE HG13 30 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 184, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HG13 30 PHE HD 4.42 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 481, 489, &end # # 12 ILE HG13 83 VAL HB 4.22 &rst ixpk= 0, nxpk= 0, iat= 184,1284, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 12 ILE HG13 83 VAL QG2 4.65 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=1290,1291,1292, &end # # 12 ILE HG13 85 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 184,1312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 ILE HG13 87 ASP HB2 3.53 &rst ixpk= 0, nxpk= 0, iat= 184,1340, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 12 ILE QD1 13 VAL H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 186, 187, 188, &end # # 12 ILE QD1 30 PHE HA 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 186, 187, 188, &end # # 12 ILE QD1 30 PHE HB2 4.64 &rst ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 186, 187, 188, &end # # 12 ILE QD1 30 PHE HB3 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 186, 187, 188, &end # # 12 ILE QD1 30 PHE HD 3.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 186, 187, 188, igr2= 481, 489, &end # # 12 ILE QD1 32 ILE HA 4.24 &rst ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 186, 187, 188, &end # # 12 ILE QD1 83 VAL HB 4.51 &rst ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 186, 187, 188, &end # # 12 ILE QD1 84 ASN H 4.89 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 186, 187, 188, &end # # 12 ILE QD1 85 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 186, 187, 188, &end # # 12 ILE QD1 87 ASP HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 186, 187, 188, &end # # 12 ILE QD1 89 VAL HA 5.16 &rst ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1= 186, 187, 188, &end # # 12 ILE QD1 89 VAL QG1 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 186, 187, 188, igr2=1375,1376,1377, &end # # 12 ILE QD1 89 VAL QG2 3.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 186, 187, 188, igr2=1379,1380,1381, &end # # 12 ILE QG2 12 ILE QD1 3.71 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 179, 180, 181, igr2= 186, 187, 188, &end # # 12 ILE QG2 13 VAL H 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 179, 180, 181, &end # # 12 ILE QG2 13 VAL HA 4.04 &rst ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 179, 180, 181, &end # # 12 ILE QG2 14 ASN H 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 179, 180, 181, &end # # 12 ILE QG2 15 LYS HA 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 179, 180, 181, &end # # 12 ILE QG2 15 LYS HE2 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 179, 180, 181, &end # # 12 ILE QG2 30 PHE HA 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 179, 180, 181, &end # # 12 ILE QG2 30 PHE HB2 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 179, 180, 181, &end # # 12 ILE QG2 30 PHE HB3 4.92 &rst ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 179, 180, 181, &end # # 12 ILE QG2 30 PHE HD 3.43 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 179, 180, 181, igr2= 481, 489, &end # # 12 ILE QG2 32 ILE HA 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 179, 180, 181, &end # # 12 ILE QG2 86 GLY H 3.65 &rst ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 179, 180, 181, &end # # 12 ILE QG2 86 GLY QA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 179, 180, 181, igr2=1331,1332, &end # # 12 ILE QG2 87 ASP H 4.29 &rst ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 179, 180, 181, &end # # 13 VAL H 13 VAL HB 3.96 &rst ixpk= 0, nxpk= 0, iat= 192, 196, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 13 VAL H 13 VAL QG2 3.54 &rst ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 202, 203, 204, &end # # 13 VAL H 14 ASN H 3.35 &rst ixpk= 0, nxpk= 0, iat= 192, 208, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 13 VAL H 14 ASN HB3 5.46 &rst ixpk= 0, nxpk= 0, iat= 192, 213, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 13 VAL H 31 ILE HB 4.95 &rst ixpk= 0, nxpk= 0, iat= 192, 497, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 13 VAL H 31 ILE QG2 4.50 &rst ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 499, 500, 501, &end # # 13 VAL H 32 ILE H 4.93 &rst ixpk= 0, nxpk= 0, iat= 192, 512, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 13 VAL H 32 ILE HA 4.25 &rst ixpk= 0, nxpk= 0, iat= 192, 514, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 13 VAL H 32 ILE HG12 5.08 &rst ixpk= 0, nxpk= 0, iat= 192, 522, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 13 VAL H 32 ILE HG13 5.23 &rst ixpk= 0, nxpk= 0, iat= 192, 523, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 13 VAL HA 13 VAL QG1 3.15 &rst ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2= 198, 199, 200, &end # # 13 VAL HA 13 VAL QG2 3.71 &rst ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 202, 203, 204, &end # # 13 VAL HB 14 ASN H 4.06 &rst ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 13 VAL HB 14 ASN HB2 4.36 &rst ixpk= 0, nxpk= 0, iat= 196, 212, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 13 VAL HB 31 ILE HA 4.55 &rst ixpk= 0, nxpk= 0, iat= 196, 495, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 13 VAL HB 31 ILE HB 4.25 &rst ixpk= 0, nxpk= 0, iat= 196, 497, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 13 VAL HB 31 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= 196, 504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 VAL HB 31 ILE QD1 3.87 &rst ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 506, 507, 508, &end # # 13 VAL HB 32 ILE HA 4.73 &rst ixpk= 0, nxpk= 0, iat= 196, 514, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 13 VAL QG1 14 ASN HB2 4.75 &rst ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 198, 199, 200, &end # # 13 VAL QG1 67 HIS HD2 4.63 &rst ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 198, 199, 200, &end # # 13 VAL QG2 14 ASN H 4.01 &rst ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 202, 203, 204, &end # # 13 VAL QG2 14 ASN HB2 5.28 &rst ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 202, 203, 204, &end # # 13 VAL QG2 31 ILE HB 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 202, 203, 204, &end # # 13 VAL QG2 32 ILE HA 3.94 &rst ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 202, 203, 204, &end # # 13 VAL QG2 33 GLU H 3.99 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 202, 203, 204, &end # # 13 VAL QG2 33 GLU HB3 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 202, 203, 204, &end # # 13 VAL QG2 33 GLU QG 4.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 202, 203, 204, igr2= 538, 539, &end # # 13 VAL QG2 67 HIS HD2 3.88 &rst ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 202, 203, 204, &end # # 14 ASN H 14 ASN HB3 4.15 &rst ixpk= 0, nxpk= 0, iat= 208, 213, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 14 ASN H 15 LYS H 5.08 &rst ixpk= 0, nxpk= 0, iat= 208, 222, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 14 ASN H 30 PHE HA 4.90 &rst ixpk= 0, nxpk= 0, iat= 208, 475, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 14 ASN H 31 ILE H 3.90 &rst ixpk= 0, nxpk= 0, iat= 208, 493, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 14 ASN H 31 ILE HB 3.92 &rst ixpk= 0, nxpk= 0, iat= 208, 497, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 14 ASN H 32 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 208, 514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 ASN H 85 ILE QD1 5.03 &rst ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1323,1324,1325, &end # # 14 ASN HA 14 ASN HND1 5.29 &rst ixpk= 0, nxpk= 0, iat= 210, 217, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 14 ASN HA 14 ASN HND2 5.50 &rst ixpk= 0, nxpk= 0, iat= 210, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 ASN HA 15 LYS H 3.13 &rst ixpk= 0, nxpk= 0, iat= 210, 222, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 14 ASN HA 85 ILE QD1 3.32 &rst ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=1323,1324,1325, &end # # 14 ASN HB2 15 LYS H 4.03 &rst ixpk= 0, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 14 ASN HB2 16 LEU QD1 4.59 &rst ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 253, 254, 255, &end # # 14 ASN HB2 16 LEU QD2 4.64 &rst ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 257, 258, 259, &end # # 14 ASN HB2 31 ILE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 212, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 ASN HB2 31 ILE HB 4.00 &rst ixpk= 0, nxpk= 0, iat= 212, 497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 14 ASN HB2 31 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= 212, 503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 ASN HB2 31 ILE HG13 5.29 &rst ixpk= 0, nxpk= 0, iat= 212, 504, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 14 ASN HB2 31 ILE QD1 4.50 &rst ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 506, 507, 508, &end # # 14 ASN HB3 15 LYS H 4.34 &rst ixpk= 0, nxpk= 0, iat= 213, 222, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 14 ASN HB3 16 LEU HG 5.26 &rst ixpk= 0, nxpk= 0, iat= 213, 251, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 14 ASN HB3 16 LEU QD1 3.92 &rst ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 253, 254, 255, &end # # 14 ASN HB3 16 LEU QD2 4.11 &rst ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 257, 258, 259, &end # # 14 ASN HB3 30 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 213, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 ASN HB3 31 ILE H 5.06 &rst ixpk= 0, nxpk= 0, iat= 213, 493, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 14 ASN HB3 31 ILE HB 3.92 &rst ixpk= 0, nxpk= 0, iat= 213, 497, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 14 ASN HB3 31 ILE HG12 4.70 &rst ixpk= 0, nxpk= 0, iat= 213, 503, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 14 ASN HB3 31 ILE HG13 4.74 &rst ixpk= 0, nxpk= 0, iat= 213, 504, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 14 ASN HB3 31 ILE QD1 4.27 &rst ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 506, 507, 508, &end # # 14 ASN HND1 16 LEU QD1 4.65 &rst ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 253, 254, 255, &end # # 14 ASN HND1 16 LEU QD2 5.29 &rst ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 257, 258, 259, &end # # 14 ASN HND1 31 ILE QD1 5.30 &rst ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr2= 506, 507, 508, &end # # 14 ASN HND2 16 LEU HA 5.46 &rst ixpk= 0, nxpk= 0, iat= 218, 246, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end # # 14 ASN HND2 16 LEU QD1 4.56 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 253, 254, 255, &end # # 14 ASN HND2 16 LEU QD2 5.38 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr2= 257, 258, 259, &end # # 15 LYS H 15 LYS HA 2.85 &rst ixpk= 0, nxpk= 0, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 15 LYS H 15 LYS HB2 3.97 &rst ixpk= 0, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 15 LYS H 15 LYS HD2 5.38 &rst ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 15 LYS H 16 LEU QD1 4.92 &rst ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr2= 253, 254, 255, &end # # 15 LYS H 85 ILE QD1 4.19 &rst ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1323,1324,1325, &end # # 15 LYS HA 15 LYS HD2 3.75 &rst ixpk= 0, nxpk= 0, iat= 224, 232, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 15 LYS HA 15 LYS HE2 4.65 &rst ixpk= 0, nxpk= 0, iat= 224, 235, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 15 LYS HA 30 PHE HA 3.23 &rst ixpk= 0, nxpk= 0, iat= 224, 475, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 15 LYS HA 30 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 224, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 LYS HA 30 PHE HD 3.75 &rst ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 481, 489, &end # # 15 LYS HA 30 PHE HE 5.00 &rst ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 483, 487, &end # # 15 LYS HB2 15 LYS HE2 4.71 &rst ixpk= 0, nxpk= 0, iat= 226, 235, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 15 LYS HB2 16 LEU HA 5.29 &rst ixpk= 0, nxpk= 0, iat= 226, 246, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 15 LYS HB2 17 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 226, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 LYS HB3 15 LYS HE2 4.83 &rst ixpk= 0, nxpk= 0, iat= 227, 235, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 15 LYS HB3 15 LYS HE3 4.81 &rst ixpk= 0, nxpk= 0, iat= 227, 236, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 15 LYS HB3 16 LEU H 4.74 &rst ixpk= 0, nxpk= 0, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 15 LYS HB3 17 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 LYS HB3 17 PHE HD 4.78 &rst ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 271, 279, &end # # 15 LYS HB3 30 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 227, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 LYS HB3 30 PHE HD 5.02 &rst ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 481, 489, &end # # 15 LYS HB3 85 ILE QD1 4.11 &rst ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1323,1324,1325, &end # # 15 LYS HD2 30 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 232, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 LYS HD2 30 PHE HZ 4.89 &rst ixpk= 0, nxpk= 0, iat= 232, 485, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 15 LYS HD2 30 PHE HD 4.10 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 481, 489, &end # # 15 LYS HD2 30 PHE HE 4.19 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 483, 487, &end # # 15 LYS HD2 81 ALA QB 4.36 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1255,1256,1257, &end # # 15 LYS HD3 17 PHE HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 273, 277, &end # # 15 LYS HD3 30 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 233, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 LYS HD3 30 PHE HD 5.25 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2= 481, 489, &end # # 15 LYS HD3 30 PHE HE 5.05 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 483, 487, &end # # 15 LYS HD3 81 ALA QB 4.20 &rst ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1255,1256,1257, &end # # 15 LYS HE2 30 PHE HZ 5.09 &rst ixpk= 0, nxpk= 0, iat= 235, 485, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 15 LYS HE2 81 ALA QB 3.18 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1255,1256,1257, &end # # 15 LYS HE2 83 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1290,1291,1292, &end # # 15 LYS HE2 84 ASN HA 4.98 &rst ixpk= 0, nxpk= 0, iat= 235,1298, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 15 LYS HE3 17 PHE HD 5.44 &rst ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2= 271, 279, &end # # 15 LYS HE3 17 PHE HE 5.03 &rst ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2= 273, 277, &end # # 15 LYS HE3 30 PHE HZ 4.34 &rst ixpk= 0, nxpk= 0, iat= 236, 485, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 15 LYS HE3 81 ALA QB 4.55 &rst ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1255,1256,1257, &end # # 15 LYS HE3 85 ILE QD1 4.76 &rst ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=1323,1324,1325, &end # # 16 LEU H 16 LEU HB3 3.90 &rst ixpk= 0, nxpk= 0, iat= 244, 249, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 16 LEU H 16 LEU HG 3.97 &rst ixpk= 0, nxpk= 0, iat= 244, 251, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 16 LEU H 16 LEU QD1 4.31 &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2= 253, 254, 255, &end # # 16 LEU H 16 LEU QD2 4.06 &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 257, 258, 259, &end # # 16 LEU H 17 PHE H 4.22 &rst ixpk= 0, nxpk= 0, iat= 244, 263, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 16 LEU H 17 PHE HD 4.35 &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 271, 279, &end # # 16 LEU H 29 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 467, 468, 469, &end # # 16 LEU H 30 PHE HA 4.42 &rst ixpk= 0, nxpk= 0, iat= 244, 475, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 16 LEU HA 16 LEU HG 3.45 &rst ixpk= 0, nxpk= 0, iat= 246, 251, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 16 LEU HA 16 LEU QD1 3.25 &rst ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2= 253, 254, 255, &end # # 16 LEU HA 16 LEU QD2 3.76 &rst ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 257, 258, 259, &end # # 16 LEU HA 17 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 246, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 LEU HA 31 ILE QD1 5.31 &rst ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2= 506, 507, 508, &end # # 16 LEU HB2 16 LEU HG 2.97 &rst ixpk= 0, nxpk= 0, iat= 248, 251, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 16 LEU HB2 16 LEU QD1 3.29 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 253, 254, 255, &end # # 16 LEU HB2 16 LEU QD2 3.37 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2= 257, 258, 259, &end # # 16 LEU HB2 17 PHE H 5.22 &rst ixpk= 0, nxpk= 0, iat= 248, 263, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 16 LEU HB2 29 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 467, 468, 469, &end # # 16 LEU HB3 16 LEU QD1 3.91 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 253, 254, 255, &end # # 16 LEU HB3 16 LEU QD2 3.28 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 257, 258, 259, &end # # 16 LEU HB3 17 PHE H 4.56 &rst ixpk= 0, nxpk= 0, iat= 249, 263, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 16 LEU HB3 17 PHE HD 5.29 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2= 271, 279, &end # # 16 LEU HB3 28 THR QG2 4.72 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 446, 447, 448, &end # # 16 LEU HB3 29 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 467, 468, 469, &end # # 16 LEU HG 17 PHE H 5.06 &rst ixpk= 0, nxpk= 0, iat= 251, 263, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 16 LEU HG 30 PHE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 251, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 LEU QD1 17 PHE H 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 253, 254, 255, &end # # 16 LEU QD1 28 THR HB 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 253, 254, 255, &end # # 16 LEU QD1 30 PHE HA 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 253, 254, 255, &end # # 16 LEU QD1 31 ILE H 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 253, 254, 255, &end # # 16 LEU QD1 31 ILE HG13 3.58 &rst ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 253, 254, 255, &end # # 16 LEU QD2 28 THR HB 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 257, 258, 259, &end # # 16 LEU QD2 28 THR QG2 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 257, 258, 259, igr2= 446, 447, 448, &end # # 16 LEU QD2 30 PHE HA 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 257, 258, 259, &end # # 16 LEU QD2 31 ILE H 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 257, 258, 259, &end # # 16 LEU QD2 31 ILE HG13 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 257, 258, 259, &end # # 17 PHE H 17 PHE HD 4.07 &rst ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 271, 279, &end # # 17 PHE H 18 LYS H 4.93 &rst ixpk= 0, nxpk= 0, iat= 263, 283, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 17 PHE HA 17 PHE HD 3.77 &rst ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 271, 279, &end # # 17 PHE HA 18 LYS H 3.25 &rst ixpk= 0, nxpk= 0, iat= 265, 283, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 17 PHE HA 18 LYS HG3 5.50 &rst ixpk= 0, nxpk= 0, iat= 265, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 PHE HA 27 GLN HNE1 5.13 &rst ixpk= 0, nxpk= 0, iat= 265, 435, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 17 PHE HA 27 GLN HNE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 265, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 PHE HA 29 LEU QD2 5.07 &rst ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 467, 468, 469, &end # # 17 PHE HB2 18 LYS H 3.74 &rst ixpk= 0, nxpk= 0, iat= 267, 283, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 17 PHE HB2 23 VAL QG1 4.82 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 362, 363, 364, &end # # 17 PHE HB2 29 LEU QD2 4.79 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 467, 468, 469, &end # # 17 PHE HB2 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1226,1227,1228, &end # # 17 PHE HB2 78 ILE QG2 4.00 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=1219,1220,1221, &end # # 17 PHE HB3 18 LYS H 3.68 &rst ixpk= 0, nxpk= 0, iat= 268, 283, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 17 PHE HB3 23 VAL QG1 4.96 &rst ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2= 362, 363, 364, &end # # 17 PHE HB3 29 LEU HB3 3.25 &rst ixpk= 0, nxpk= 0, iat= 268, 459, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 17 PHE HB3 29 LEU QD2 4.37 &rst ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2= 467, 468, 469, &end # # 17 PHE HB3 78 ILE QD1 5.24 &rst ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=1226,1227,1228, &end # # 17 PHE HZ 81 ALA HA 4.75 &rst ixpk= 0, nxpk= 0, iat= 275,1253, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 17 PHE HZ 81 ALA QB 3.86 &rst ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1255,1256,1257, &end # # 17 PHE HZ 97 VAL HB 4.03 &rst ixpk= 0, nxpk= 0, iat= 275,1483, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 17 PHE HZ 97 VAL QG2 3.61 &rst ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1489,1490,1491, &end # # 17 PHE HD 18 LYS H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 271, 279, &end # # 17 PHE HD 18 LYS HA 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 271, 279, &end # # 17 PHE HD 18 LYS HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 271, 279, &end # # 17 PHE HD 21 ASP H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 271, 279, &end # # 17 PHE HD 23 VAL QG1 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 271, 279, igr2= 362, 363, 364, &end # # 17 PHE HD 29 LEU HA 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 271, 279, &end # # 17 PHE HD 29 LEU HB2 5.43 &rst ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 271, 279, &end # # 17 PHE HD 29 LEU HB3 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 271, 279, &end # # 17 PHE HD 29 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 271, 279, &end # # 17 PHE HD 29 LEU QD1 5.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 271, 279, igr2= 463, 464, 465, &end # # 17 PHE HD 29 LEU QD2 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 271, 279, igr2= 467, 468, 469, &end # # 17 PHE HD 30 PHE HZ 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 271, 279, &end # # 17 PHE HD 78 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 271, 279, &end # # 17 PHE HD 78 ILE QD1 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 271, 279, igr2=1226,1227,1228, &end # # 17 PHE HD 78 ILE QG2 3.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 271, 279, igr2=1219,1220,1221, &end # # 17 PHE HE 19 ALA H 5.00 &rst ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 273, 277, &end # # 17 PHE HE 19 ALA HA 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 273, 277, &end # # 17 PHE HE 30 PHE HZ 4.29 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 273, 277, &end # # 17 PHE HE 78 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 273, 277, &end # # 17 PHE HE 78 ILE HG13 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 273, 277, &end # # 17 PHE HE 81 ALA H 5.03 &rst ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 273, 277, &end # # 17 PHE HE 81 ALA HA 3.87 &rst ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1= 273, 277, &end # # 17 PHE HE 81 ALA QB 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 273, 277, igr2=1255,1256,1257, &end # # 17 PHE HE 97 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 273, 277, &end # # 17 PHE HE 97 VAL HB 4.73 &rst ixpk= 0, nxpk= 0, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 273, 277, &end # # 17 PHE HE 97 VAL QG1 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 273, 277, igr2=1485,1486,1487, &end # # 17 PHE HE 97 VAL QG2 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 273, 277, igr2=1489,1490,1491, &end # # 18 LYS H 18 LYS HB2 3.97 &rst ixpk= 0, nxpk= 0, iat= 283, 287, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 18 LYS H 18 LYS HB3 4.05 &rst ixpk= 0, nxpk= 0, iat= 283, 288, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 18 LYS H 18 LYS HG2 4.71 &rst ixpk= 0, nxpk= 0, iat= 283, 290, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 18 LYS H 18 LYS HG3 4.62 &rst ixpk= 0, nxpk= 0, iat= 283, 291, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 18 LYS H 21 ASP H 4.91 &rst ixpk= 0, nxpk= 0, iat= 283, 322, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 18 LYS H 78 ILE QG2 5.12 &rst ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1219,1220,1221, &end # # 18 LYS HA 18 LYS HD3 3.70 &rst ixpk= 0, nxpk= 0, iat= 285, 294, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 18 LYS HA 18 LYS HE2 5.39 &rst ixpk= 0, nxpk= 0, iat= 285, 296, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 18 LYS HA 18 LYS HE3 5.50 &rst ixpk= 0, nxpk= 0, iat= 285, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 LYS HA 18 LYS HG2 4.08 &rst ixpk= 0, nxpk= 0, iat= 285, 290, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 18 LYS HA 18 LYS HG3 3.70 &rst ixpk= 0, nxpk= 0, iat= 285, 291, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 18 LYS HA 19 ALA H 3.28 &rst ixpk= 0, nxpk= 0, iat= 285, 305, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 18 LYS HB2 19 ALA H 4.00 &rst ixpk= 0, nxpk= 0, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 18 LYS HB2 19 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 287, 307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 LYS HB2 21 ASP HB3 5.14 &rst ixpk= 0, nxpk= 0, iat= 287, 327, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 18 LYS HB3 18 LYS HE2 4.79 &rst ixpk= 0, nxpk= 0, iat= 288, 296, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 18 LYS HB3 19 ALA H 3.89 &rst ixpk= 0, nxpk= 0, iat= 288, 305, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 18 LYS HB3 21 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 288, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 LYS HD2 21 ASP HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 293, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 LYS HG3 18 LYS HE2 4.19 &rst ixpk= 0, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 18 LYS HG3 21 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= 291, 322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 ALA H 19 ALA QB 3.49 &rst ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2= 309, 310, 311, &end # # 19 ALA HA 20 GLY H 3.09 &rst ixpk= 0, nxpk= 0, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 19 ALA HA 20 GLY QA 3.86 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 317, 318, &end # # 19 ALA HA 21 ASP H 4.10 &rst ixpk= 0, nxpk= 0, iat= 307, 322, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 19 ALA HA 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1226,1227,1228, &end # # 19 ALA HA 78 ILE QG2 3.96 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1219,1220,1221, &end # # 19 ALA HA 80 ASP HA 3.48 &rst ixpk= 0, nxpk= 0, iat= 307,1241, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 19 ALA HA 80 ASP HB3 5.31 &rst ixpk= 0, nxpk= 0, iat= 307,1244, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 19 ALA QB 20 GLY H 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1= 309, 310, 311, &end # # 19 ALA QB 21 ASP H 5.14 &rst ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 309, 310, 311, &end # # 19 ALA QB 80 ASP HA 3.19 &rst ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr1= 309, 310, 311, &end # # 19 ALA QB 80 ASP HB2 4.27 &rst ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 309, 310, 311, &end # # 19 ALA QB 80 ASP HB3 3.96 &rst ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 309, 310, 311, &end # # 19 ALA QB 81 ALA H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 309, 310, 311, &end # # 19 ALA QB 81 ALA HA 4.15 &rst ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 309, 310, 311, &end # # 20 GLY H 21 ASP H 3.68 &rst ixpk= 0, nxpk= 0, iat= 315, 322, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 20 GLY H 78 ILE QG2 3.37 &rst ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1219,1220,1221, &end # # 20 GLY QA 78 ILE QG2 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 317, 318, igr2=1219,1220,1221, &end # # 21 ASP H 21 ASP HB2 3.33 &rst ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 21 ASP H 21 ASP HB3 3.61 &rst ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 21 ASP H 22 LYS H 4.64 &rst ixpk= 0, nxpk= 0, iat= 322, 334, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 21 ASP H 78 ILE QG2 3.62 &rst ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2=1219,1220,1221, &end # # 21 ASP HA 22 LYS H 2.98 &rst ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 21 ASP HA 22 LYS HG2 5.17 &rst ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 21 ASP HA 78 ILE QG2 4.62 &rst ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2=1219,1220,1221, &end # # 21 ASP HB2 22 LYS H 4.00 &rst ixpk= 0, nxpk= 0, iat= 326, 334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 21 ASP HB2 78 ILE QG2 4.02 &rst ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=1219,1220,1221, &end # # 21 ASP HB3 22 LYS H 3.61 &rst ixpk= 0, nxpk= 0, iat= 327, 334, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 21 ASP HB3 23 VAL QG1 4.62 &rst ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2= 362, 363, 364, &end # # 21 ASP HB3 78 ILE QG2 4.28 &rst ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=1219,1220,1221, &end # # 22 LYS H 22 LYS HB2 3.28 &rst ixpk= 0, nxpk= 0, iat= 334, 338, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 22 LYS H 22 LYS HD3 4.77 &rst ixpk= 0, nxpk= 0, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 22 LYS H 22 LYS HG2 4.17 &rst ixpk= 0, nxpk= 0, iat= 334, 341, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 22 LYS H 22 LYS HG3 4.39 &rst ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 22 LYS H 23 VAL H 4.69 &rst ixpk= 0, nxpk= 0, iat= 334, 356, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 22 LYS H 77 THR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 334,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 LYS H 78 ILE QG2 5.08 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr2=1219,1220,1221, &end # # 22 LYS HA 22 LYS HG2 4.11 &rst ixpk= 0, nxpk= 0, iat= 336, 341, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 22 LYS HA 23 VAL H 3.13 &rst ixpk= 0, nxpk= 0, iat= 336, 356, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 22 LYS HA 23 VAL QG2 4.90 &rst ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 366, 367, 368, &end # # 22 LYS HA 78 ILE QG2 4.19 &rst ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1219,1220,1221, &end # # 22 LYS HB3 23 VAL H 4.05 &rst ixpk= 0, nxpk= 0, iat= 339, 356, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 22 LYS HD3 77 THR H 5.50 &rst ixpk= 0, nxpk= 0, iat= 345,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 LYS HD3 77 THR HA 4.74 &rst ixpk= 0, nxpk= 0, iat= 345,1201, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 22 LYS HG2 23 VAL H 4.80 &rst ixpk= 0, nxpk= 0, iat= 341, 356, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 22 LYS HG3 22 LYS QE 3.35 &rst ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 347, 348, &end # # 22 LYS QE 102 LEU QD2 5.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 347, 348, igr2=1576,1577,1578, &end # # 22 LYS QE 77 THR QG2 4.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 347, 348, igr2=1205,1206,1207, &end # # 23 VAL H 23 VAL QG1 4.86 &rst ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 362, 363, 364, &end # # 23 VAL H 23 VAL QG2 3.57 &rst ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 366, 367, 368, &end # # 23 VAL H 76 GLY H 4.16 &rst ixpk= 0, nxpk= 0, iat= 356,1192, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 23 VAL HA 23 VAL HB 2.84 &rst ixpk= 0, nxpk= 0, iat= 358, 360, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end # # 23 VAL HA 23 VAL QG1 3.19 &rst ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 362, 363, 364, &end # # 23 VAL HA 23 VAL QG2 3.70 &rst ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 366, 367, 368, &end # # 23 VAL HA 24 LYS H 3.21 &rst ixpk= 0, nxpk= 0, iat= 358, 372, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 23 VAL HA 27 GLN HB2 4.77 &rst ixpk= 0, nxpk= 0, iat= 358, 427, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 23 VAL HA 27 GLN HNE2 4.77 &rst ixpk= 0, nxpk= 0, iat= 358, 436, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 23 VAL HA 78 ILE QD1 5.10 &rst ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2=1226,1227,1228, &end # # 23 VAL HB 24 LYS H 3.66 &rst ixpk= 0, nxpk= 0, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 23 VAL HB 27 GLN HNE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 360, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 VAL HB 29 LEU QD2 4.37 &rst ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2= 467, 468, 469, &end # # 23 VAL HB 75 ASP HA 5.35 &rst ixpk= 0, nxpk= 0, iat= 360,1182, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 23 VAL QG1 24 LYS H 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 362, 363, 364, &end # # 23 VAL QG1 27 GLN HNE1 5.31 &rst ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 362, 363, 364, &end # # 23 VAL QG1 27 GLN HNE2 4.73 &rst ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 362, 363, 364, &end # # 23 VAL QG1 29 LEU QD2 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1= 362, 363, 364, igr2= 467, 468, 469, &end # # 23 VAL QG1 78 ILE HB 4.03 &rst ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 362, 363, 364, &end # # 23 VAL QG1 78 ILE QD1 3.72 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 362, 363, 364, igr2=1226,1227,1228, &end # # 23 VAL QG1 78 ILE QG2 4.38 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 362, 363, 364, igr2=1219,1220,1221, &end # # 23 VAL QG2 24 LYS H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 366, 367, 368, &end # # 23 VAL QG2 29 LEU QD2 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 366, 367, 368, igr2= 467, 468, 469, &end # # 23 VAL QG2 72 ALA QB 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 366, 367, 368, igr2=1140,1141,1142, &end # # 23 VAL QG2 73 PRO HD2 4.06 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 366, 367, 368, &end # # 23 VAL QG2 74 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 366, 367, 368, &end # # 23 VAL QG2 75 ASP HA 4.37 &rst ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 366, 367, 368, &end # # 23 VAL QG2 76 GLY H 3.94 &rst ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 366, 367, 368, &end # # 23 VAL QG2 76 GLY QA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 366, 367, 368, igr2=1194,1195, &end # # 23 VAL QG2 77 THR HA 4.39 &rst ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 366, 367, 368, &end # # 23 VAL QG2 77 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 366, 367, 368, &end # # 23 VAL QG2 78 ILE H 4.87 &rst ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 366, 367, 368, &end # # 23 VAL QG2 78 ILE HA 4.55 &rst ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 366, 367, 368, &end # # 23 VAL QG2 78 ILE QD1 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 366, 367, 368, igr2=1226,1227,1228, &end # # 23 VAL QG2 78 ILE QG2 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, igr1= 366, 367, 368, igr2=1219,1220,1221, &end # # 24 LYS H 24 LYS HB3 3.88 &rst ixpk= 0, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 24 LYS H 24 LYS HD2 4.79 &rst ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 24 LYS H 24 LYS HG2 4.45 &rst ixpk= 0, nxpk= 0, iat= 372, 379, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 24 LYS H 24 LYS HG3 4.09 &rst ixpk= 0, nxpk= 0, iat= 372, 380, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 24 LYS H 27 GLN H 4.54 &rst ixpk= 0, nxpk= 0, iat= 372, 423, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 24 LYS H 27 GLN HB2 4.01 &rst ixpk= 0, nxpk= 0, iat= 372, 427, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 24 LYS H 27 GLN HB3 3.99 &rst ixpk= 0, nxpk= 0, iat= 372, 428, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 24 LYS H 75 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 372,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 LYS HA 24 LYS HG2 3.58 &rst ixpk= 0, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 24 LYS HA 25 LYS H 3.34 &rst ixpk= 0, nxpk= 0, iat= 374, 394, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 24 LYS HA 25 LYS HA 5.19 &rst ixpk= 0, nxpk= 0, iat= 374, 396, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 24 LYS HA 27 GLN HB3 4.46 &rst ixpk= 0, nxpk= 0, iat= 374, 428, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 24 LYS HB2 25 LYS H 4.24 &rst ixpk= 0, nxpk= 0, iat= 376, 394, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 24 LYS HB2 27 GLN HB2 4.83 &rst ixpk= 0, nxpk= 0, iat= 376, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 24 LYS HB3 24 LYS HE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 377, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 LYS HB3 25 LYS H 4.25 &rst ixpk= 0, nxpk= 0, iat= 377, 394, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 24 LYS HB3 27 GLN HA 5.48 &rst ixpk= 0, nxpk= 0, iat= 377, 425, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 24 LYS HB3 27 GLN HB2 4.77 &rst ixpk= 0, nxpk= 0, iat= 377, 427, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 24 LYS HD3 24 LYS HE3 2.69 &rst ixpk= 0, nxpk= 0, iat= 383, 386, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 24 LYS HE2 25 LYS H 4.39 &rst ixpk= 0, nxpk= 0, iat= 385, 394, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 24 LYS HE2 25 LYS HG2 4.44 &rst ixpk= 0, nxpk= 0, iat= 385, 401, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 24 LYS HE2 25 LYS HG3 4.03 &rst ixpk= 0, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 24 LYS HE3 25 LYS HB3 5.24 &rst ixpk= 0, nxpk= 0, iat= 386, 399, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 24 LYS HG2 24 LYS HE3 3.48 &rst ixpk= 0, nxpk= 0, iat= 379, 386, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 24 LYS HG2 25 LYS H 4.30 &rst ixpk= 0, nxpk= 0, iat= 379, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 25 LYS H 25 LYS HB2 3.50 &rst ixpk= 0, nxpk= 0, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 LYS H 25 LYS HB3 3.66 &rst ixpk= 0, nxpk= 0, iat= 394, 399, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 25 LYS H 25 LYS HG3 4.16 &rst ixpk= 0, nxpk= 0, iat= 394, 402, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 25 LYS H 75 ASP HA 4.51 &rst ixpk= 0, nxpk= 0, iat= 394,1182, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 25 LYS H 75 ASP HB2 5.40 &rst ixpk= 0, nxpk= 0, iat= 394,1184, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 25 LYS HA 25 LYS HD2 3.65 &rst ixpk= 0, nxpk= 0, iat= 396, 404, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 25 LYS HA 25 LYS HG2 3.92 &rst ixpk= 0, nxpk= 0, iat= 396, 401, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 25 LYS HA 25 LYS HG3 3.63 &rst ixpk= 0, nxpk= 0, iat= 396, 402, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 25 LYS HA 26 GLY H 3.44 &rst ixpk= 0, nxpk= 0, iat= 396, 416, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 25 LYS HA 74 PHE H 4.46 &rst ixpk= 0, nxpk= 0, iat= 396,1160, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 25 LYS HA 74 PHE HA 3.80 &rst ixpk= 0, nxpk= 0, iat= 396,1162, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 25 LYS HA 75 ASP H 4.81 &rst ixpk= 0, nxpk= 0, iat= 396,1180, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 25 LYS HA 75 ASP HA 5.05 &rst ixpk= 0, nxpk= 0, iat= 396,1182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 25 LYS HB2 75 ASP H 5.41 &rst ixpk= 0, nxpk= 0, iat= 398,1180, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end # # 25 LYS HB3 26 GLY H 5.02 &rst ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 25 LYS HB3 74 PHE HA 3.90 &rst ixpk= 0, nxpk= 0, iat= 399,1162, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 25 LYS HB3 74 PHE HB2 4.88 &rst ixpk= 0, nxpk= 0, iat= 399,1164, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 25 LYS HB3 74 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 399,1165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 25 LYS HB3 75 ASP H 4.20 &rst ixpk= 0, nxpk= 0, iat= 399,1180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 25 LYS HB3 75 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 399,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 25 LYS HD2 74 PHE HA 3.58 &rst ixpk= 0, nxpk= 0, iat= 404,1162, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 25 LYS HD2 74 PHE HB2 4.55 &rst ixpk= 0, nxpk= 0, iat= 404,1164, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 25 LYS HD2 74 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1168,1176, &end # # 25 LYS HD2 75 ASP H 4.35 &rst ixpk= 0, nxpk= 0, iat= 404,1180, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 25 LYS HE3 74 PHE HA 3.64 &rst ixpk= 0, nxpk= 0, iat= 408,1162, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 25 LYS HE3 75 ASP H 3.66 &rst ixpk= 0, nxpk= 0, iat= 408,1180, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 26 GLY H 27 GLN H 4.37 &rst ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 26 GLY H 27 GLN HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 416, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 GLY H 27 GLN HB3 5.22 &rst ixpk= 0, nxpk= 0, iat= 416, 428, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 26 GLY H 72 ALA QB 4.50 &rst ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1140,1141,1142, &end # # 26 GLY H 74 PHE HA 4.09 &rst ixpk= 0, nxpk= 0, iat= 416,1162, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 26 GLY H 75 ASP H 4.81 &rst ixpk= 0, nxpk= 0, iat= 416,1180, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 26 GLY QA 29 LEU QD1 5.29 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1= 418, 419, igr2= 463, 464, 465, &end # # 26 GLY QA 29 LEU QD2 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 418, 419, igr2= 467, 468, 469, &end # # 26 GLY QA 72 ALA QB 4.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, igr1= 418, 419, igr2=1140,1141,1142, &end # # 27 GLN H 27 GLN HB2 3.56 &rst ixpk= 0, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 27 GLN H 27 GLN HB3 3.59 &rst ixpk= 0, nxpk= 0, iat= 423, 428, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 27 GLN H 27 GLN HG2 4.72 &rst ixpk= 0, nxpk= 0, iat= 423, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 27 GLN H 27 GLN HG3 4.66 &rst ixpk= 0, nxpk= 0, iat= 423, 431, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 27 GLN H 28 THR H 5.11 &rst ixpk= 0, nxpk= 0, iat= 423, 440, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 27 GLN H 72 ALA H 4.69 &rst ixpk= 0, nxpk= 0, iat= 423,1136, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 27 GLN H 72 ALA QB 4.16 &rst ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1140,1141,1142, &end # # 27 GLN HA 27 GLN HB2 3.02 &rst ixpk= 0, nxpk= 0, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 27 GLN HA 27 GLN HNE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 425, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 GLN HA 27 GLN HG2 3.42 &rst ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 27 GLN HA 27 GLN HG3 3.70 &rst ixpk= 0, nxpk= 0, iat= 425, 431, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 27 GLN HA 28 THR H 3.27 &rst ixpk= 0, nxpk= 0, iat= 425, 440, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 27 GLN HA 72 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= 425,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 GLN HB2 27 GLN HNE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 427, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 GLN HB2 28 THR H 4.79 &rst ixpk= 0, nxpk= 0, iat= 427, 440, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 27 GLN HB2 28 THR HB 4.86 &rst ixpk= 0, nxpk= 0, iat= 427, 444, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 27 GLN HB2 29 LEU QD2 4.42 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 467, 468, 469, &end # # 27 GLN HB3 27 GLN HNE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 428, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 GLN HB3 27 GLN HG3 2.98 &rst ixpk= 0, nxpk= 0, iat= 428, 431, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 27 GLN HB3 28 THR H 4.90 &rst ixpk= 0, nxpk= 0, iat= 428, 440, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 27 GLN HB3 29 LEU QD2 5.37 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2= 467, 468, 469, &end # # 27 GLN HB3 72 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= 428,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 GLN HB3 72 ALA QB 4.99 &rst ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=1140,1141,1142, &end # # 27 GLN HNE1 29 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 467, 468, 469, &end # # 27 GLN HNE2 29 LEU QD2 5.42 &rst ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr2= 467, 468, 469, &end # # 27 GLN HG2 27 GLN HNE1 4.08 &rst ixpk= 0, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 27 GLN HG2 28 THR H 4.25 &rst ixpk= 0, nxpk= 0, iat= 430, 440, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 27 GLN HG2 29 LEU QD2 5.13 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2= 467, 468, 469, &end # # 27 GLN HG3 28 THR H 4.58 &rst ixpk= 0, nxpk= 0, iat= 431, 440, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 27 GLN HG3 28 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 431, 444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 GLN HG3 29 LEU QD2 4.61 &rst ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2= 467, 468, 469, &end # # 28 THR H 28 THR HB 3.57 &rst ixpk= 0, nxpk= 0, iat= 440, 444, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 28 THR H 28 THR QG2 4.61 &rst ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2= 446, 447, 448, &end # # 28 THR HA 28 THR QG2 3.27 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 446, 447, 448, &end # # 28 THR HA 29 LEU H 3.57 &rst ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 28 THR HA 29 LEU HB2 4.25 &rst ixpk= 0, nxpk= 0, iat= 442, 458, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 28 THR HA 29 LEU HG 5.01 &rst ixpk= 0, nxpk= 0, iat= 442, 461, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 28 THR HA 29 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 463, 464, 465, &end # # 28 THR HA 30 PHE H 4.42 &rst ixpk= 0, nxpk= 0, iat= 442, 473, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 28 THR HA 71 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= 442,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 THR HA 71 LYS HA 3.11 &rst ixpk= 0, nxpk= 0, iat= 442,1116, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 28 THR HA 71 LYS HB2 4.95 &rst ixpk= 0, nxpk= 0, iat= 442,1118, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 28 THR HA 71 LYS HB3 3.88 &rst ixpk= 0, nxpk= 0, iat= 442,1119, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 28 THR HA 71 LYS HE3 5.03 &rst ixpk= 0, nxpk= 0, iat= 442,1128, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 28 THR HB 29 LEU H 4.58 &rst ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 28 THR HB 29 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 467, 468, 469, &end # # 28 THR HB 30 PHE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 444, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 THR HB 69 GLU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 444,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 THR QG2 29 LEU H 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 446, 447, 448, &end # # 28 THR QG2 29 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 446, 447, 448, igr2= 467, 468, 469, &end # # 28 THR QG2 30 PHE H 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 446, 447, 448, &end # # 28 THR QG2 69 GLU HB2 4.32 &rst ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 446, 447, 448, &end # # 28 THR QG2 69 GLU HB3 4.01 &rst ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 446, 447, 448, &end # # 28 THR QG2 69 GLU QG 4.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 446, 447, 448, igr2=1087,1088, &end # # 28 THR QG2 70 ILE H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 446, 447, 448, &end # # 28 THR QG2 71 LYS HA 5.04 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 446, 447, 448, &end # # 29 LEU H 29 LEU HB3 4.03 &rst ixpk= 0, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 29 LEU H 29 LEU HG 4.27 &rst ixpk= 0, nxpk= 0, iat= 454, 461, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 29 LEU H 29 LEU QD1 4.69 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 463, 464, 465, &end # # 29 LEU H 29 LEU QD2 4.64 &rst ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 467, 468, 469, &end # # 29 LEU H 30 PHE H 4.14 &rst ixpk= 0, nxpk= 0, iat= 454, 473, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 29 LEU H 72 ALA H 5.00 &rst ixpk= 0, nxpk= 0, iat= 454,1136, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 29 LEU HA 29 LEU QD1 3.55 &rst ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2= 463, 464, 465, &end # # 29 LEU HA 29 LEU QD2 3.19 &rst ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 467, 468, 469, &end # # 29 LEU HB2 29 LEU QD1 3.90 &rst ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 463, 464, 465, &end # # 29 LEU HB2 29 LEU QD2 3.88 &rst ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 467, 468, 469, &end # # 29 LEU HB2 30 PHE H 3.95 &rst ixpk= 0, nxpk= 0, iat= 458, 473, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 29 LEU HB2 30 PHE HD 3.71 &rst ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 481, 489, &end # # 29 LEU HB2 70 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 458,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 LEU HB2 71 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 458,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 LEU HB2 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1226,1227,1228, &end # # 29 LEU HB3 29 LEU QD1 3.82 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 463, 464, 465, &end # # 29 LEU HB3 29 LEU QD2 3.78 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 467, 468, 469, &end # # 29 LEU HB3 30 PHE H 3.76 &rst ixpk= 0, nxpk= 0, iat= 459, 473, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 29 LEU HB3 30 PHE HD 4.00 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 481, 489, &end # # 29 LEU HB3 30 PHE HE 5.08 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 483, 487, &end # # 29 LEU HB3 72 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= 459,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 LEU HB3 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1226,1227,1228, &end # # 29 LEU HG 30 PHE H 4.89 &rst ixpk= 0, nxpk= 0, iat= 461, 473, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 29 LEU HG 30 PHE HD 5.02 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 481, 489, &end # # 29 LEU HG 71 LYS HA 4.02 &rst ixpk= 0, nxpk= 0, iat= 461,1116, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 29 LEU HG 72 ALA H 4.36 &rst ixpk= 0, nxpk= 0, iat= 461,1136, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 29 LEU HG 72 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 461,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 LEU HG 72 ALA QB 4.27 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=1140,1141,1142, &end # # 29 LEU HG 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1226,1227,1228, &end # # 29 LEU QD1 30 PHE H 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 463, 464, 465, &end # # 29 LEU QD1 30 PHE HD 5.22 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 463, 464, 465, igr2= 481, 489, &end # # 29 LEU QD1 30 PHE HE 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, igr1= 463, 464, 465, igr2= 483, 487, &end # # 29 LEU QD1 70 ILE QG2 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 463, 464, 465, igr2=1101,1102,1103, &end # # 29 LEU QD1 71 LYS HA 4.65 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 463, 464, 465, &end # # 29 LEU QD1 72 ALA H 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 463, 464, 465, &end # # 29 LEU QD1 72 ALA HA 3.74 &rst ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 463, 464, 465, &end # # 29 LEU QD1 72 ALA QB 3.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 463, 464, 465, igr2=1140,1141,1142, &end # # 29 LEU QD1 73 PRO HD2 4.92 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 463, 464, 465, &end # # 29 LEU QD1 73 PRO HD3 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 463, 464, 465, &end # # 29 LEU QD1 78 ILE QD1 3.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 463, 464, 465, igr2=1226,1227,1228, &end # # 29 LEU QD2 30 PHE H 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 467, 468, 469, &end # # 29 LEU QD2 71 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 467, 468, 469, &end # # 29 LEU QD2 72 ALA H 4.87 &rst ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 467, 468, 469, &end # # 29 LEU QD2 72 ALA QB 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, igr1= 467, 468, 469, igr2=1140,1141,1142, &end # # 29 LEU QD2 78 ILE HB 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 467, 468, 469, &end # # 29 LEU QD2 78 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 467, 468, 469, &end # # 29 LEU QD2 78 ILE QD1 3.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 467, 468, 469, igr2=1226,1227,1228, &end # # 30 PHE H 30 PHE HD 4.35 &rst ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 481, 489, &end # # 30 PHE H 31 ILE H 5.19 &rst ixpk= 0, nxpk= 0, iat= 473, 493, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 30 PHE H 70 ILE H 4.20 &rst ixpk= 0, nxpk= 0, iat= 473,1095, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 30 PHE H 70 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 473,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE H 70 ILE HB 4.10 &rst ixpk= 0, nxpk= 0, iat= 473,1099, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 30 PHE H 70 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1108,1109,1110, &end # # 30 PHE H 70 ILE QG2 4.78 &rst ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2=1101,1102,1103, &end # # 30 PHE H 71 LYS HA 5.06 &rst ixpk= 0, nxpk= 0, iat= 473,1116, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 30 PHE HA 30 PHE HD 3.62 &rst ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 481, 489, &end # # 30 PHE HA 30 PHE HE 4.99 &rst ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2= 483, 487, &end # # 30 PHE HA 31 ILE H 3.36 &rst ixpk= 0, nxpk= 0, iat= 475, 493, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 30 PHE HA 31 ILE HB 4.45 &rst ixpk= 0, nxpk= 0, iat= 475, 497, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 30 PHE HA 31 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= 475, 503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE HA 31 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= 475, 504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE HA 70 ILE HB 4.90 &rst ixpk= 0, nxpk= 0, iat= 475,1099, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 30 PHE HA 70 ILE QD1 4.49 &rst ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=1108,1109,1110, &end # # 30 PHE HB2 31 ILE H 3.98 &rst ixpk= 0, nxpk= 0, iat= 477, 493, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 30 PHE HB2 31 ILE HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 477, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE HB2 32 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat= 477, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE HB2 32 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat= 477, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE HB2 32 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 525, 526, 527, &end # # 30 PHE HB2 70 ILE H 5.50 &rst ixpk= 0, nxpk= 0, iat= 477,1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE HB2 70 ILE HB 3.86 &rst ixpk= 0, nxpk= 0, iat= 477,1099, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 30 PHE HB2 70 ILE HG12 5.23 &rst ixpk= 0, nxpk= 0, iat= 477,1105, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 30 PHE HB2 70 ILE HG13 5.29 &rst ixpk= 0, nxpk= 0, iat= 477,1106, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 30 PHE HB2 70 ILE QD1 5.07 &rst ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1108,1109,1110, &end # # 30 PHE HB2 70 ILE QG2 4.97 &rst ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=1101,1102,1103, &end # # 30 PHE HB2 96 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1469,1470,1471, &end # # 30 PHE HB3 31 ILE H 4.40 &rst ixpk= 0, nxpk= 0, iat= 478, 493, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 30 PHE HB3 70 ILE H 5.08 &rst ixpk= 0, nxpk= 0, iat= 478,1095, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 30 PHE HB3 70 ILE HB 4.34 &rst ixpk= 0, nxpk= 0, iat= 478,1099, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 30 PHE HB3 70 ILE HG12 5.38 &rst ixpk= 0, nxpk= 0, iat= 478,1105, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 30 PHE HB3 70 ILE QD1 4.17 &rst ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1108,1109,1110, &end # # 30 PHE HZ 81 ALA HA 4.05 &rst ixpk= 0, nxpk= 0, iat= 485,1253, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 30 PHE HZ 81 ALA QB 3.89 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=1255,1256,1257, &end # # 30 PHE HZ 83 VAL QG1 5.11 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2=1286,1287,1288, &end # # 30 PHE HZ 83 VAL QG2 4.36 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1290,1291,1292, &end # # 30 PHE HZ 96 LEU HA 5.19 &rst ixpk= 0, nxpk= 0, iat= 485,1462, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 30 PHE HZ 96 LEU HB2 4.64 &rst ixpk= 0, nxpk= 0, iat= 485,1464, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 30 PHE HZ 96 LEU HB3 4.53 &rst ixpk= 0, nxpk= 0, iat= 485,1465, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 30 PHE HZ 96 LEU QD1 5.19 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2=1469,1470,1471, &end # # 30 PHE HZ 96 LEU QD2 5.11 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2=1473,1474,1475, &end # # 30 PHE HZ 97 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 485,1481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PHE HZ 97 VAL HB 3.74 &rst ixpk= 0, nxpk= 0, iat= 485,1483, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 30 PHE HZ 97 VAL QG1 4.78 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2=1485,1486,1487, &end # # 30 PHE HZ 97 VAL QG2 4.39 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=1489,1490,1491, &end # # 30 PHE HD 31 ILE H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 481, 489, &end # # 30 PHE HD 32 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 481, 489, igr2= 525, 526, 527, &end # # 30 PHE HD 70 ILE H 5.07 &rst ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 481, 489, &end # # 30 PHE HD 70 ILE HB 3.50 &rst ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 481, 489, &end # # 30 PHE HD 70 ILE HG12 4.10 &rst ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 481, 489, &end # # 30 PHE HD 70 ILE HG13 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 481, 489, &end # # 30 PHE HD 70 ILE QD1 4.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1= 481, 489, igr2=1108,1109,1110, &end # # 30 PHE HD 70 ILE QG2 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 481, 489, igr2=1101,1102,1103, &end # # 30 PHE HD 83 VAL QG2 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 481, 489, igr2=1290,1291,1292, &end # # 30 PHE HD 96 LEU HB3 4.83 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 481, 489, &end # # 30 PHE HE 70 ILE HB 5.21 &rst ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 483, 487, &end # # 30 PHE HE 70 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 483, 487, igr2=1108,1109,1110, &end # # 30 PHE HE 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 483, 487, igr2=1226,1227,1228, &end # # 30 PHE HE 83 VAL HB 5.41 &rst ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 483, 487, &end # # 30 PHE HE 83 VAL QG2 3.89 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 483, 487, igr2=1290,1291,1292, &end # # 30 PHE HE 96 LEU HA 5.06 &rst ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 483, 487, &end # # 30 PHE HE 96 LEU HB2 3.92 &rst ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 483, 487, &end # # 30 PHE HE 96 LEU HB3 3.86 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 483, 487, &end # # 30 PHE HE 96 LEU QD1 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 483, 487, igr2=1469,1470,1471, &end # # 30 PHE HE 97 VAL QG1 4.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 483, 487, igr2=1485,1486,1487, &end # # 31 ILE H 31 ILE HB 3.73 &rst ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 31 ILE H 31 ILE HG12 4.77 &rst ixpk= 0, nxpk= 0, iat= 493, 503, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 31 ILE H 31 ILE HG13 4.91 &rst ixpk= 0, nxpk= 0, iat= 493, 504, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 31 ILE H 31 ILE QD1 5.24 &rst ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2= 506, 507, 508, &end # # 31 ILE HA 31 ILE HG13 3.76 &rst ixpk= 0, nxpk= 0, iat= 495, 504, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 31 ILE HA 31 ILE QD1 3.71 &rst ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 506, 507, 508, &end # # 31 ILE HA 31 ILE QG2 3.64 &rst ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 499, 500, 501, &end # # 31 ILE HA 32 ILE H 3.16 &rst ixpk= 0, nxpk= 0, iat= 495, 512, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 31 ILE HA 70 ILE H 4.49 &rst ixpk= 0, nxpk= 0, iat= 495,1095, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end # # 31 ILE HB 32 ILE H 4.85 &rst ixpk= 0, nxpk= 0, iat= 497, 512, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 31 ILE HG13 32 ILE H 5.07 &rst ixpk= 0, nxpk= 0, iat= 504, 512, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 31 ILE QD1 67 HIS HB3 5.06 &rst ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 506, 507, 508, &end # # 31 ILE QG2 31 ILE HG12 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1= 499, 500, 501, &end # # 31 ILE QG2 32 ILE H 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 499, 500, 501, &end # # 31 ILE QG2 67 HIS H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 499, 500, 501, &end # # 31 ILE QG2 67 HIS HA 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 499, 500, 501, &end # # 31 ILE QG2 67 HIS HB3 3.63 &rst ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 499, 500, 501, &end # # 31 ILE QG2 67 HIS HD2 3.78 &rst ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1= 499, 500, 501, &end # # 31 ILE QG2 67 HIS HE1 4.81 &rst ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 499, 500, 501, &end # # 31 ILE QG2 68 THR H 5.01 &rst ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 499, 500, 501, &end # # 32 ILE H 32 ILE HB 3.53 &rst ixpk= 0, nxpk= 0, iat= 512, 516, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 32 ILE H 32 ILE HG12 4.14 &rst ixpk= 0, nxpk= 0, iat= 512, 522, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 32 ILE H 32 ILE HG13 4.40 &rst ixpk= 0, nxpk= 0, iat= 512, 523, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 32 ILE H 32 ILE QD1 4.55 &rst ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2= 525, 526, 527, &end # # 32 ILE H 67 HIS HB3 5.26 &rst ixpk= 0, nxpk= 0, iat= 512,1054, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 32 ILE H 68 THR H 4.41 &rst ixpk= 0, nxpk= 0, iat= 512,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 32 ILE H 68 THR HB 4.35 &rst ixpk= 0, nxpk= 0, iat= 512,1070, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 32 ILE H 68 THR QG2 5.41 &rst ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=1072,1073,1074, &end # # 32 ILE H 70 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1108,1109,1110, &end # # 32 ILE HA 32 ILE HG12 3.80 &rst ixpk= 0, nxpk= 0, iat= 514, 522, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 32 ILE HA 32 ILE HG13 4.25 &rst ixpk= 0, nxpk= 0, iat= 514, 523, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 32 ILE HA 32 ILE QD1 4.38 &rst ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 525, 526, 527, &end # # 32 ILE HA 32 ILE QG2 3.68 &rst ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 518, 519, 520, &end # # 32 ILE HA 33 GLU H 3.11 &rst ixpk= 0, nxpk= 0, iat= 514, 531, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 32 ILE HA 33 GLU HB2 4.86 &rst ixpk= 0, nxpk= 0, iat= 514, 535, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 32 ILE HA 33 GLU QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 538, 539, &end # # 32 ILE HB 67 HIS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 516,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 ILE HB 68 THR H 4.43 &rst ixpk= 0, nxpk= 0, iat= 516,1066, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 32 ILE HB 68 THR HB 3.37 &rst ixpk= 0, nxpk= 0, iat= 516,1070, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 32 ILE HB 70 ILE QD1 4.16 &rst ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=1108,1109,1110, &end # # 32 ILE QD1 68 THR H 5.06 &rst ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 525, 526, 527, &end # # 32 ILE QD1 68 THR HB 5.22 &rst ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 525, 526, 527, &end # # 32 ILE QD1 70 ILE HG13 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 525, 526, 527, &end # # 32 ILE QD1 70 ILE QD1 3.68 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 525, 526, 527, igr2=1108,1109,1110, &end # # 32 ILE QG2 33 GLU H 3.71 &rst ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1= 518, 519, 520, &end # # 32 ILE QG2 33 GLU HA 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 518, 519, 520, &end # # 32 ILE QG2 33 GLU HB3 4.96 &rst ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1= 518, 519, 520, &end # # 32 ILE QG2 33 GLU QG 4.98 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 518, 519, 520, igr2= 538, 539, &end # # 32 ILE QG2 34 GLN H 5.48 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 518, 519, 520, &end # # 32 ILE QG2 34 GLN HA 3.81 &rst ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 518, 519, 520, &end # # 32 ILE QG2 34 GLN HB2 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 518, 519, 520, &end # # 32 ILE QG2 35 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 518, 519, 520, &end # # 32 ILE QG2 68 THR H 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 518, 519, 520, &end # # 32 ILE QG2 68 THR HB 4.43 &rst ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 518, 519, 520, &end # # 33 GLU H 33 GLU HB2 3.99 &rst ixpk= 0, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 33 GLU H 33 GLU HB3 4.02 &rst ixpk= 0, nxpk= 0, iat= 531, 536, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 33 GLU H 67 HIS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 531,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 GLU HA 33 GLU QG 3.71 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 538, 539, &end # # 33 GLU HA 34 GLN H 3.20 &rst ixpk= 0, nxpk= 0, iat= 533, 546, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 33 GLU HA 35 ASP H 4.17 &rst ixpk= 0, nxpk= 0, iat= 533, 563, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 33 GLU HA 67 HIS HA 3.49 &rst ixpk= 0, nxpk= 0, iat= 533,1051, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 33 GLU HA 67 HIS HD2 3.42 &rst ixpk= 0, nxpk= 0, iat= 533,1062, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 33 GLU HA 68 THR H 3.89 &rst ixpk= 0, nxpk= 0, iat= 533,1066, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 33 GLU HB2 67 HIS HD2 5.17 &rst ixpk= 0, nxpk= 0, iat= 535,1062, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 33 GLU HB3 67 HIS HD2 4.61 &rst ixpk= 0, nxpk= 0, iat= 536,1062, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 33 GLU QG 34 GLN H 3.87 &rst ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1= 538, 539, &end # # 33 GLU QG 35 ASP H 4.48 &rst ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 538, 539, &end # # 33 GLU QG 35 ASP HA 4.55 &rst ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 538, 539, &end # # 34 GLN H 34 GLN HB2 3.70 &rst ixpk= 0, nxpk= 0, iat= 546, 550, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 34 GLN H 34 GLN HB3 3.84 &rst ixpk= 0, nxpk= 0, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 34 GLN H 35 ASP H 5.19 &rst ixpk= 0, nxpk= 0, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 34 GLN H 66 ASP HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 546,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 GLN H 67 HIS HA 4.78 &rst ixpk= 0, nxpk= 0, iat= 546,1051, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 34 GLN HA 34 GLN HG2 3.66 &rst ixpk= 0, nxpk= 0, iat= 548, 553, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 34 GLN HA 35 ASP H 3.24 &rst ixpk= 0, nxpk= 0, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 34 GLN HA 35 ASP HB3 4.43 &rst ixpk= 0, nxpk= 0, iat= 548, 568, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 34 GLN HB2 34 GLN HNE1 5.26 &rst ixpk= 0, nxpk= 0, iat= 550, 558, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end # # 34 GLN HB2 34 GLN HNE2 5.31 &rst ixpk= 0, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 34 GLN HB2 34 GLN HG3 2.76 &rst ixpk= 0, nxpk= 0, iat= 550, 554, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 34 GLN HB2 35 ASP H 4.43 &rst ixpk= 0, nxpk= 0, iat= 550, 563, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 34 GLN HB2 66 ASP HA 4.17 &rst ixpk= 0, nxpk= 0, iat= 550,1039, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 34 GLN HB2 66 ASP HB2 3.62 &rst ixpk= 0, nxpk= 0, iat= 550,1041, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 34 GLN HB2 67 HIS HA 4.90 &rst ixpk= 0, nxpk= 0, iat= 550,1051, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 34 GLN HB3 34 GLN HNE1 5.29 &rst ixpk= 0, nxpk= 0, iat= 551, 558, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 34 GLN HB3 34 GLN HNE2 5.40 &rst ixpk= 0, nxpk= 0, iat= 551, 559, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 34 GLN HB3 35 ASP H 4.80 &rst ixpk= 0, nxpk= 0, iat= 551, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 34 GLN HG3 34 GLN HNE1 3.88 &rst ixpk= 0, nxpk= 0, iat= 554, 558, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 35 ASP H 35 ASP HB3 3.70 &rst ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 35 ASP HA 35 ASP HB3 3.02 &rst ixpk= 0, nxpk= 0, iat= 565, 568, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 35 ASP HB3 36 GLN H 4.31 &rst ixpk= 0, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 36 GLN H 36 GLN HB3 4.06 &rst ixpk= 0, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 36 GLN H 36 GLN HG3 5.01 &rst ixpk= 0, nxpk= 0, iat= 575, 583, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 36 GLN HA 36 GLN HNE1 5.50 &rst ixpk= 0, nxpk= 0, iat= 577, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 GLN HA 36 GLN HNE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 577, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 GLN HA 36 GLN HG2 4.21 &rst ixpk= 0, nxpk= 0, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 36 GLN HA 36 GLN HG3 3.64 &rst ixpk= 0, nxpk= 0, iat= 577, 583, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 36 GLN HA 37 ALA QB 4.65 &rst ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2= 596, 597, 598, &end # # 36 GLN HA 38 SER H 5.50 &rst ixpk= 0, nxpk= 0, iat= 577, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 GLN HA 39 LYS HE2 4.29 &rst ixpk= 0, nxpk= 0, iat= 577, 626, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 36 GLN HA 39 LYS HE3 5.29 &rst ixpk= 0, nxpk= 0, iat= 577, 627, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 36 GLN HA 39 LYS QB 3.97 &rst ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 617, 618, &end # # 36 GLN HA 39 LYS QD 4.33 &rst ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 623, 624, &end # # 36 GLN HB2 36 GLN HNE2 4.64 &rst ixpk= 0, nxpk= 0, iat= 579, 588, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 36 GLN HB2 37 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 579, 594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 GLN HB2 39 LYS HE2 5.50 &rst ixpk= 0, nxpk= 0, iat= 579, 626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 GLN HB2 39 LYS QB 2.67 &rst ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr2= 617, 618, &end # # 36 GLN HB3 39 LYS HE2 4.64 &rst ixpk= 0, nxpk= 0, iat= 580, 626, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 36 GLN HNE1 39 LYS HE2 3.32 &rst ixpk= 0, nxpk= 0, iat= 587, 626, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 36 GLN HNE1 39 LYS QB 5.27 &rst ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2= 617, 618, &end # # 36 GLN HNE2 39 LYS HE2 4.13 &rst ixpk= 0, nxpk= 0, iat= 588, 626, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 36 GLN HG3 37 ALA H 5.50 &rst ixpk= 0, nxpk= 0, iat= 583, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 GLN HG3 37 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 583, 594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 GLN HG3 39 LYS HE2 4.82 &rst ixpk= 0, nxpk= 0, iat= 583, 626, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 37 ALA H 37 ALA QB 3.72 &rst ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 596, 597, 598, &end # # 37 ALA H 38 SER H 4.92 &rst ixpk= 0, nxpk= 0, iat= 592, 602, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 37 ALA QB 38 SER H 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 596, 597, 598, &end # # 37 ALA QB 38 SER HB2 5.07 &rst ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 596, 597, 598, &end # # 37 ALA QB 41 PHE QB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 596, 597, 598, igr2= 651, 652, &end # # 38 SER H 38 SER HB3 4.13 &rst ixpk= 0, nxpk= 0, iat= 602, 607, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 38 SER HA 39 LYS HA 4.80 &rst ixpk= 0, nxpk= 0, iat= 604, 615, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 38 SER HA 39 LYS QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 617, 618, &end # # 38 SER HA 41 PHE QB 3.82 &rst ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 651, 652, &end # # 38 SER HA 41 PHE HD 5.43 &rst ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 655, 663, &end # # 38 SER HA 42 ASN H 4.68 &rst ixpk= 0, nxpk= 0, iat= 604, 667, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 38 SER HB2 39 LYS H 5.02 &rst ixpk= 0, nxpk= 0, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 38 SER HB2 39 LYS HA 4.27 &rst ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 38 SER HB2 41 PHE QB 5.06 &rst ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 651, 652, &end # # 38 SER HB2 42 ASN HB3 4.84 &rst ixpk= 0, nxpk= 0, iat= 606, 672, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 38 SER HB3 41 PHE QB 4.43 &rst ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 651, 652, &end # # 38 SER HB3 42 ASN HB3 4.72 &rst ixpk= 0, nxpk= 0, iat= 607, 672, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 39 LYS HA 39 LYS HG2 3.89 &rst ixpk= 0, nxpk= 0, iat= 615, 620, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 39 LYS HA 39 LYS HG3 2.87 &rst ixpk= 0, nxpk= 0, iat= 615, 621, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 39 LYS HA 39 LYS QB 2.85 &rst ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2= 617, 618, &end # # 39 LYS HA 39 LYS QD 4.15 &rst ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 623, 624, &end # # 39 LYS HA 42 ASN HB3 4.38 &rst ixpk= 0, nxpk= 0, iat= 615, 672, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 39 LYS HG3 39 LYS HE2 3.77 &rst ixpk= 0, nxpk= 0, iat= 621, 626, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 39 LYS QB 39 LYS HE2 4.27 &rst ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 617, 618, &end # # 39 LYS QB 40 ASP H 4.57 &rst ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 617, 618, &end # # 40 ASP HB2 41 PHE H 4.74 &rst ixpk= 0, nxpk= 0, iat= 639, 647, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 40 ASP HB3 41 PHE HD 4.45 &rst ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2= 655, 663, &end # # 41 PHE H 41 PHE QB 3.58 &rst ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 651, 652, &end # # 41 PHE HA 41 PHE QB 2.99 &rst ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 651, 652, &end # # 41 PHE HA 41 PHE HD 3.72 &rst ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 655, 663, &end # # 41 PHE QB 42 ASN H 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 651, 652, &end # # 41 PHE HD 42 ASN HA 4.91 &rst ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 655, 663, &end # # 41 PHE HD 45 LYS QE 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 655, 663, igr2= 729, 730, &end # # 42 ASN HA 45 LYS H 4.78 &rst ixpk= 0, nxpk= 0, iat= 669, 716, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 42 ASN HA 45 LYS QE 3.24 &rst ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 729, 730, &end # # 42 ASN HB2 43 ARG H 5.18 &rst ixpk= 0, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 42 ASN HB2 43 ARG HA 5.17 &rst ixpk= 0, nxpk= 0, iat= 671, 683, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 42 ASN HB3 43 ARG HA 5.24 &rst ixpk= 0, nxpk= 0, iat= 672, 683, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 43 ARG HA 43 ARG HG2 3.47 &rst ixpk= 0, nxpk= 0, iat= 683, 688, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 43 ARG HA 43 ARG HG3 4.08 &rst ixpk= 0, nxpk= 0, iat= 683, 689, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 43 ARG HA 43 ARG QD 4.15 &rst ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 691, 692, &end # # 43 ARG HB2 43 ARG QD 3.89 &rst ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 691, 692, &end # # 43 ARG HB3 43 ARG QD 3.37 &rst ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2= 691, 692, &end # # 43 ARG HG3 43 ARG QD 3.01 &rst ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 691, 692, &end # # 44 SER HA 44 SER HB3 2.74 &rst ixpk= 0, nxpk= 0, iat= 707, 710, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 44 SER HA 47 LEU QD1 4.41 &rst ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 757, 758, 759, &end # # 46 ALA HA 47 LEU H 3.55 &rst ixpk= 0, nxpk= 0, iat= 740, 748, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 46 ALA QB 47 LEU H 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 742, 743, 744, &end # # 47 LEU H 47 LEU HB2 3.61 &rst ixpk= 0, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 47 LEU H 47 LEU HG 4.59 &rst ixpk= 0, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 47 LEU HA 47 LEU HG 3.43 &rst ixpk= 0, nxpk= 0, iat= 750, 755, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 47 LEU HA 47 LEU QD1 4.42 &rst ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 757, 758, 759, &end # # 47 LEU HA 47 LEU QD2 3.46 &rst ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 761, 762, 763, &end # # 47 LEU HA 48 PHE HB2 4.72 &rst ixpk= 0, nxpk= 0, iat= 750, 771, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 47 LEU HA 48 PHE HD 5.43 &rst ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 775, 783, &end # # 47 LEU HB2 48 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 775, 783, &end # # 47 LEU HB3 47 LEU QD2 3.57 &rst ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 761, 762, 763, &end # # 47 LEU HB3 48 PHE H 4.86 &rst ixpk= 0, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 47 LEU HB3 48 PHE HB2 5.12 &rst ixpk= 0, nxpk= 0, iat= 753, 771, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 47 LEU HB3 48 PHE HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 753, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 47 LEU HB3 48 PHE HD 4.90 &rst ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 775, 783, &end # # 47 LEU HG 48 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 775, 783, &end # # 47 LEU QD1 48 PHE HB2 5.49 &rst ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 757, 758, 759, &end # # 47 LEU QD2 48 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 761, 762, 763, igr2= 775, 783, &end # # 48 PHE HA 48 PHE HD 3.94 &rst ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 775, 783, &end # # 48 PHE HD 49 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 775, 783, &end # # 50 GLN HA 50 GLN QG 3.71 &rst ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 805, 806, &end # # 50 GLN HB2 50 GLN HNE2 4.61 &rst ixpk= 0, nxpk= 0, iat= 802, 811, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 50 GLN HB2 50 GLN QG 2.99 &rst ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 805, 806, &end # # 50 GLN HB3 51 SER HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 803, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 50 GLN QG 50 GLN HNE1 3.68 &rst ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1= 805, 806, &end # # 52 ALA HA 53 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat= 828, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 ALA HA 53 ILE QD1 5.30 &rst ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr2= 849, 850, 851, &end # # 52 ALA QB 53 ILE H 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 830, 831, 832, &end # # 52 ALA QB 53 ILE HB 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 830, 831, 832, &end # # 52 ALA QB 53 ILE QD1 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, igr1= 830, 831, 832, igr2= 849, 850, 851, &end # # 53 ILE H 53 ILE HB 4.02 &rst ixpk= 0, nxpk= 0, iat= 836, 840, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 53 ILE H 53 ILE HG12 4.69 &rst ixpk= 0, nxpk= 0, iat= 836, 846, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 53 ILE H 53 ILE HG13 4.71 &rst ixpk= 0, nxpk= 0, iat= 836, 847, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 53 ILE H 53 ILE QG2 4.76 &rst ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 842, 843, 844, &end # # 53 ILE H 58 TYR HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 836, 925, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 ILE HA 53 ILE HG12 4.12 &rst ixpk= 0, nxpk= 0, iat= 838, 846, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 53 ILE HA 53 ILE HG13 4.06 &rst ixpk= 0, nxpk= 0, iat= 838, 847, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 53 ILE HA 53 ILE QD1 4.93 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2= 849, 850, 851, &end # # 53 ILE HA 53 ILE QG2 3.58 &rst ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 842, 843, 844, &end # # 53 ILE HA 54 SER HA 5.22 &rst ixpk= 0, nxpk= 0, iat= 838, 857, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 53 ILE HB 54 SER H 5.09 &rst ixpk= 0, nxpk= 0, iat= 840, 855, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 53 ILE QD1 58 TYR HB2 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 849, 850, 851, &end # # 53 ILE QD1 58 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 849, 850, 851, igr2= 928, 937, &end # # 53 ILE QG2 53 ILE HG13 3.25 &rst ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr1= 842, 843, 844, &end # # 53 ILE QG2 54 SER H 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 842, 843, 844, &end # # 53 ILE QG2 58 TYR HB3 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 842, 843, 844, &end # # 54 SER HA 54 SER HB2 2.98 &rst ixpk= 0, nxpk= 0, iat= 857, 859, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 54 SER HA 54 SER HB3 2.74 &rst ixpk= 0, nxpk= 0, iat= 857, 860, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 54 SER HB2 57 GLU HG3 5.50 &rst ixpk= 0, nxpk= 0, iat= 859, 913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 54 SER HB3 55 GLN QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 873, 874, &end # # 54 SER HB3 56 LYS H 4.38 &rst ixpk= 0, nxpk= 0, iat= 860, 883, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 54 SER HB3 56 LYS HG3 4.28 &rst ixpk= 0, nxpk= 0, iat= 860, 891, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 55 GLN HA 55 GLN QG 3.64 &rst ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2= 873, 874, &end # # 55 GLN HA 58 TYR HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 868, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 55 GLN HA 58 TYR HB3 4.06 &rst ixpk= 0, nxpk= 0, iat= 868, 925, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 55 GLN HA 58 TYR HD 5.14 &rst ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2= 928, 937, &end # # 55 GLN HA 58 TYR HE 4.47 &rst ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 930, 935, &end # # 55 GLN HB2 55 GLN HNE2 3.55 &rst ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 55 GLN HB2 55 GLN QG 2.93 &rst ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 873, 874, &end # # 55 GLN HB2 56 LYS H 5.50 &rst ixpk= 0, nxpk= 0, iat= 870, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 55 GLN HB3 55 GLN QG 2.83 &rst ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, igr2= 873, 874, &end # # 55 GLN HB3 56 LYS HG2 4.56 &rst ixpk= 0, nxpk= 0, iat= 871, 890, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 55 GLN HB3 58 TYR HE 3.65 &rst ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 930, 935, &end # # 55 GLN QG 56 LYS HG2 5.02 &rst ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 873, 874, &end # # 55 GLN QG 58 TYR HD 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 873, 874, igr2= 928, 937, &end # # 55 GLN QG 58 TYR HE 5.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr1= 873, 874, igr2= 930, 935, &end # # 56 LYS H 56 LYS HB2 3.86 &rst ixpk= 0, nxpk= 0, iat= 883, 887, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 56 LYS H 56 LYS HG3 4.84 &rst ixpk= 0, nxpk= 0, iat= 883, 891, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 56 LYS HA 56 LYS HB3 3.01 &rst ixpk= 0, nxpk= 0, iat= 885, 888, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 56 LYS HA 56 LYS HG2 3.63 &rst ixpk= 0, nxpk= 0, iat= 885, 890, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 56 LYS HA 58 TYR HE 4.13 &rst ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 930, 935, &end # # 56 LYS HB2 57 GLU H 4.77 &rst ixpk= 0, nxpk= 0, iat= 887, 905, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 57 GLU HA 57 GLU HG2 4.09 &rst ixpk= 0, nxpk= 0, iat= 907, 912, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 57 GLU HA 57 GLU HG3 3.45 &rst ixpk= 0, nxpk= 0, iat= 907, 913, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 57 GLU HB2 58 TYR HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 909, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 GLU HB2 58 TYR HB3 5.31 &rst ixpk= 0, nxpk= 0, iat= 909, 925, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 57 GLU HB3 58 TYR HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 910, 925, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 GLU HB3 58 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 928, 937, &end # # 58 TYR H 58 TYR HB2 3.85 &rst ixpk= 0, nxpk= 0, iat= 920, 924, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 58 TYR H 58 TYR HB3 3.65 &rst ixpk= 0, nxpk= 0, iat= 920, 925, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 58 TYR H 58 TYR HD 4.95 &rst ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 928, 937, &end # # 58 TYR HA 58 TYR HD 3.67 &rst ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 928, 937, &end # # 58 TYR HB3 59 ASP H 4.42 &rst ixpk= 0, nxpk= 0, iat= 925, 941, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 58 TYR HE 62 LEU QD1 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 930, 935, igr2= 984, 985, 986, &end # # 58 TYR HE 62 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 930, 935, igr2= 988, 989, 990, &end # # 59 ASP H 60 SER H 5.16 &rst ixpk= 0, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 59 ASP HA 59 ASP HB2 2.73 &rst ixpk= 0, nxpk= 0, iat= 943, 945, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end # # 59 ASP HA 62 LEU HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 943, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 ASP HA 62 LEU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 943, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 ASP HB2 62 LEU HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 945, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 ASP HB2 62 LEU HB3 5.49 &rst ixpk= 0, nxpk= 0, iat= 945, 980, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 59 ASP HB2 62 LEU HG 4.98 &rst ixpk= 0, nxpk= 0, iat= 945, 982, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 61 SER H 63 ALA H 4.44 &rst ixpk= 0, nxpk= 0, iat= 964, 994, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 61 SER HA 61 SER HB2 2.90 &rst ixpk= 0, nxpk= 0, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 61 SER HB2 62 LEU H 4.90 &rst ixpk= 0, nxpk= 0, iat= 968, 975, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 61 SER HB2 62 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 984, 985, 986, &end # # 61 SER HB2 62 LEU QD2 4.21 &rst ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 988, 989, 990, &end # # 61 SER HB3 62 LEU QD2 5.23 &rst ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr2= 988, 989, 990, &end # # 62 LEU H 62 LEU HB2 4.03 &rst ixpk= 0, nxpk= 0, iat= 975, 979, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 62 LEU H 62 LEU HB3 3.42 &rst ixpk= 0, nxpk= 0, iat= 975, 980, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 62 LEU H 62 LEU HG 4.30 &rst ixpk= 0, nxpk= 0, iat= 975, 982, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 62 LEU H 62 LEU QD2 5.33 &rst ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2= 988, 989, 990, &end # # 62 LEU H 63 ALA H 4.50 &rst ixpk= 0, nxpk= 0, iat= 975, 994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 LEU HA 62 LEU HB3 2.86 &rst ixpk= 0, nxpk= 0, iat= 977, 980, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 62 LEU HA 62 LEU HG 3.80 &rst ixpk= 0, nxpk= 0, iat= 977, 982, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 62 LEU HA 62 LEU QD1 3.84 &rst ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 984, 985, 986, &end # # 62 LEU HB3 63 ALA H 4.68 &rst ixpk= 0, nxpk= 0, iat= 980, 994, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 62 LEU HB3 63 ALA QB 3.45 &rst ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 998, 999,1000, &end # # 63 ALA H 63 ALA QB 3.57 &rst ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 998, 999,1000, &end # # 63 ALA HA 64 THR H 3.13 &rst ixpk= 0, nxpk= 0, iat= 996,1004, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 63 ALA QB 64 THR H 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 998, 999,1000, &end # # 63 ALA QB 64 THR HA 4.74 &rst ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 998, 999,1000, &end # # 63 ALA QB 64 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 998, 999,1000, &end # # 64 THR H 64 THR QG2 4.83 &rst ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=1010,1011,1012, &end # # 64 THR H 66 ASP H 4.66 &rst ixpk= 0, nxpk= 0, iat=1004,1037, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 64 THR HA 64 THR QG2 3.34 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=1010,1011,1012, &end # # 64 THR HA 65 LEU H 3.21 &rst ixpk= 0, nxpk= 0, iat=1006,1018, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 64 THR HA 65 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1031,1032,1033, &end # # 64 THR HA 66 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1006,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 THR HB 65 LEU H 3.95 &rst ixpk= 0, nxpk= 0, iat=1008,1018, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 64 THR HB 65 LEU HG 4.67 &rst ixpk= 0, nxpk= 0, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 64 THR HB 65 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1031,1032,1033, &end # # 64 THR HB 66 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1008,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 THR HB 67 HIS HB2 5.50 &rst ixpk= 0, nxpk= 0, iat=1008,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 THR QG2 65 LEU H 5.23 &rst ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1=1010,1011,1012, &end # # 64 THR QG2 65 LEU QD1 3.64 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=1010,1011,1012, igr2=1027,1028,1029, &end # # 64 THR QG2 67 HIS HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1010,1011,1012, &end # # 64 THR QG2 67 HIS HE1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1010,1011,1012, &end # # 65 LEU H 65 LEU HB2 3.81 &rst ixpk= 0, nxpk= 0, iat=1018,1022, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 65 LEU H 65 LEU HB3 4.09 &rst ixpk= 0, nxpk= 0, iat=1018,1023, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 65 LEU H 65 LEU HG 3.63 &rst ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 65 LEU H 65 LEU QD1 4.62 &rst ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr2=1027,1028,1029, &end # # 65 LEU H 65 LEU QD2 4.71 &rst ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=1031,1032,1033, &end # # 65 LEU H 66 ASP H 4.33 &rst ixpk= 0, nxpk= 0, iat=1018,1037, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 65 LEU HA 65 LEU HG 3.96 &rst ixpk= 0, nxpk= 0, iat=1020,1025, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 65 LEU HA 65 LEU QD2 3.20 &rst ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2=1031,1032,1033, &end # # 65 LEU HA 66 ASP H 3.31 &rst ixpk= 0, nxpk= 0, iat=1020,1037, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 65 LEU HA 66 ASP HB3 5.27 &rst ixpk= 0, nxpk= 0, iat=1020,1042, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 65 LEU HB2 65 LEU QD2 3.38 &rst ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=1031,1032,1033, &end # # 65 LEU HB2 66 ASP H 4.58 &rst ixpk= 0, nxpk= 0, iat=1022,1037, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 65 LEU HB2 67 HIS HE1 5.27 &rst ixpk= 0, nxpk= 0, iat=1022,1058, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 65 LEU HB3 66 ASP H 4.58 &rst ixpk= 0, nxpk= 0, iat=1023,1037, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 65 LEU QD1 67 HIS HE1 5.03 &rst ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=1027,1028,1029, &end # # 65 LEU QD2 66 ASP H 5.37 &rst ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1=1031,1032,1033, &end # # 65 LEU QD2 67 HIS HE1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1031,1032,1033, &end # # 66 ASP H 66 ASP HB2 4.14 &rst ixpk= 0, nxpk= 0, iat=1037,1041, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 66 ASP H 66 ASP HB3 3.85 &rst ixpk= 0, nxpk= 0, iat=1037,1042, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 66 ASP H 67 HIS H 4.61 &rst ixpk= 0, nxpk= 0, iat=1037,1049, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 66 ASP HA 67 HIS H 3.53 &rst ixpk= 0, nxpk= 0, iat=1039,1049, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 66 ASP HA 67 HIS HA 4.47 &rst ixpk= 0, nxpk= 0, iat=1039,1051, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 67 HIS H 67 HIS HB3 3.74 &rst ixpk= 0, nxpk= 0, iat=1049,1054, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 67 HIS HA 67 HIS HD2 3.54 &rst ixpk= 0, nxpk= 0, iat=1051,1062, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 67 HIS HA 68 THR HA 4.84 &rst ixpk= 0, nxpk= 0, iat=1051,1068, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 67 HIS HA 68 THR HB 4.72 &rst ixpk= 0, nxpk= 0, iat=1051,1070, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 67 HIS HB3 68 THR H 4.07 &rst ixpk= 0, nxpk= 0, iat=1054,1066, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 67 HIS HB3 68 THR HA 4.93 &rst ixpk= 0, nxpk= 0, iat=1054,1068, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 68 THR H 68 THR HB 3.69 &rst ixpk= 0, nxpk= 0, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 68 THR H 68 THR QG2 4.91 &rst ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1072,1073,1074, &end # # 68 THR HA 68 THR QG2 3.22 &rst ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=1072,1073,1074, &end # # 68 THR HA 69 GLU H 3.09 &rst ixpk= 0, nxpk= 0, iat=1068,1080, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 68 THR HB 69 GLU H 4.57 &rst ixpk= 0, nxpk= 0, iat=1070,1080, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 68 THR QG2 69 GLU H 3.98 &rst ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1=1072,1073,1074, &end # # 68 THR QG2 69 GLU QG 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1072,1073,1074, igr2=1087,1088, &end # # 69 GLU H 69 GLU HB2 4.04 &rst ixpk= 0, nxpk= 0, iat=1080,1084, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 69 GLU H 69 GLU HB3 4.12 &rst ixpk= 0, nxpk= 0, iat=1080,1085, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 69 GLU H 69 GLU QG 4.10 &rst ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1087,1088, &end # # 69 GLU HB3 70 ILE H 5.04 &rst ixpk= 0, nxpk= 0, iat=1085,1095, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 70 ILE H 70 ILE HB 4.00 &rst ixpk= 0, nxpk= 0, iat=1095,1099, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 70 ILE H 70 ILE HG12 4.40 &rst ixpk= 0, nxpk= 0, iat=1095,1105, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 70 ILE H 70 ILE HG13 4.60 &rst ixpk= 0, nxpk= 0, iat=1095,1106, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 70 ILE H 70 ILE QD1 4.67 &rst ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1108,1109,1110, &end # # 70 ILE H 70 ILE QG2 4.56 &rst ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=1101,1102,1103, &end # # 70 ILE HA 70 ILE QD1 3.25 &rst ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=1108,1109,1110, &end # # 70 ILE HA 70 ILE QG2 3.43 &rst ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1101,1102,1103, &end # # 70 ILE HA 71 LYS H 3.24 &rst ixpk= 0, nxpk= 0, iat=1097,1114, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 70 ILE HA 71 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1097,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 ILE HB 70 ILE QD1 4.01 &rst ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=1108,1109,1110, &end # # 70 ILE HB 71 LYS H 5.04 &rst ixpk= 0, nxpk= 0, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 70 ILE HB 96 LEU QD1 5.03 &rst ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1469,1470,1471, &end # # 70 ILE QD1 96 LEU QD1 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1108,1109,1110, igr2=1469,1470,1471, &end # # 70 ILE QG2 70 ILE QD1 3.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=1101,1102,1103, igr2=1108,1109,1110, &end # # 70 ILE QG2 71 LYS H 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1101,1102,1103, &end # # 70 ILE QG2 71 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1101,1102,1103, &end # # 70 ILE QG2 72 ALA HA 5.04 &rst ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1101,1102,1103, &end # # 70 ILE QG2 96 LEU QD1 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=1101,1102,1103, igr2=1469,1470,1471, &end # # 71 LYS H 71 LYS HB2 3.84 &rst ixpk= 0, nxpk= 0, iat=1114,1118, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 71 LYS H 72 ALA HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1114,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 LYS HA 71 LYS HE3 5.23 &rst ixpk= 0, nxpk= 0, iat=1116,1128, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 71 LYS HA 72 ALA H 3.44 &rst ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 71 LYS HA 72 ALA HA 5.20 &rst ixpk= 0, nxpk= 0, iat=1116,1138, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 71 LYS HA 72 ALA QB 4.56 &rst ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=1140,1141,1142, &end # # 71 LYS HB2 71 LYS HE2 5.48 &rst ixpk= 0, nxpk= 0, iat=1118,1127, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 71 LYS HB2 71 LYS HE3 3.36 &rst ixpk= 0, nxpk= 0, iat=1118,1128, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 71 LYS HB2 72 ALA H 4.24 &rst ixpk= 0, nxpk= 0, iat=1118,1136, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 71 LYS HB3 71 LYS HE2 5.50 &rst ixpk= 0, nxpk= 0, iat=1119,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 LYS HB3 72 ALA H 4.63 &rst ixpk= 0, nxpk= 0, iat=1119,1136, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 72 ALA H 72 ALA QB 3.61 &rst ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1140,1141,1142, &end # # 72 ALA H 73 PRO HD3 5.50 &rst ixpk= 0, nxpk= 0, iat=1136,1148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 ALA HA 73 PRO HD2 3.42 &rst ixpk= 0, nxpk= 0, iat=1138,1147, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 72 ALA HA 73 PRO HD3 3.30 &rst ixpk= 0, nxpk= 0, iat=1138,1148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 72 ALA HA 73 PRO HG2 4.53 &rst ixpk= 0, nxpk= 0, iat=1138,1150, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 72 ALA HA 74 PHE H 4.55 &rst ixpk= 0, nxpk= 0, iat=1138,1160, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 72 ALA HA 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1226,1227,1228, &end # # 72 ALA HA 99 VAL QG1 3.87 &rst ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1525,1526,1527, &end # # 72 ALA QB 73 PRO HA 5.28 &rst ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1=1140,1141,1142, &end # # 72 ALA QB 73 PRO HD2 4.77 &rst ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1=1140,1141,1142, &end # # 72 ALA QB 73 PRO HD3 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=1140,1141,1142, &end # # 72 ALA QB 74 PHE H 4.15 &rst ixpk= 0, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=1140,1141,1142, &end # # 72 ALA QB 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1140,1141,1142, igr2=1226,1227,1228, &end # # 73 PRO HA 74 PHE HD 4.77 &rst ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2=1168,1176, &end # # 73 PRO HB2 74 PHE HD 4.53 &rst ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=1168,1176, &end # # 73 PRO HB3 74 PHE H 3.90 &rst ixpk= 0, nxpk= 0, iat=1154,1160, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 73 PRO HB3 74 PHE HD 3.67 &rst ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1168,1176, &end # # 73 PRO HB3 74 PHE HE 4.15 &rst ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1170,1174, &end # # 73 PRO HD2 74 PHE H 4.46 &rst ixpk= 0, nxpk= 0, iat=1147,1160, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 73 PRO HD2 74 PHE HD 5.50 &rst ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1168,1176, &end # # 73 PRO HD2 99 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1525,1526,1527, &end # # 73 PRO HD3 74 PHE H 4.66 &rst ixpk= 0, nxpk= 0, iat=1148,1160, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 73 PRO HD3 99 VAL QG1 4.55 &rst ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1525,1526,1527, &end # # 73 PRO HG2 74 PHE H 4.87 &rst ixpk= 0, nxpk= 0, iat=1150,1160, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 73 PRO HG3 74 PHE H 4.30 &rst ixpk= 0, nxpk= 0, iat=1151,1160, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 73 PRO HG3 74 PHE HD 3.61 &rst ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1168,1176, &end # # 73 PRO HG3 74 PHE HE 3.78 &rst ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1170,1174, &end # # 74 PHE H 74 PHE HB3 3.91 &rst ixpk= 0, nxpk= 0, iat=1160,1165, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 74 PHE H 74 PHE HD 4.20 &rst ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2=1168,1176, &end # # 74 PHE H 75 ASP H 4.69 &rst ixpk= 0, nxpk= 0, iat=1160,1180, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 74 PHE H 99 VAL QG1 4.79 &rst ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=1525,1526,1527, &end # # 74 PHE HA 74 PHE HD 3.90 &rst ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1168,1176, &end # # 74 PHE HA 75 ASP H 3.44 &rst ixpk= 0, nxpk= 0, iat=1162,1180, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 74 PHE HA 99 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1525,1526,1527, &end # # 74 PHE HB2 75 ASP H 3.85 &rst ixpk= 0, nxpk= 0, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 74 PHE HB3 75 ASP H 3.86 &rst ixpk= 0, nxpk= 0, iat=1165,1180, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 74 PHE HD 101 ASN HA 4.11 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=1168,1176, &end # # 74 PHE HD 101 ASN HB2 4.35 &rst ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=1168,1176, &end # # 74 PHE HD 101 ASN HB3 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=1168,1176, &end # # 74 PHE HD 75 ASP H 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1168,1176, &end # # 74 PHE HD 76 GLY H 4.99 &rst ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1168,1176, &end # # 74 PHE HD 76 GLY QA 4.56 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=1168,1176, igr2=1194,1195, &end # # 74 PHE HD 99 VAL QG1 3.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=1168,1176, igr2=1525,1526,1527, &end # # 74 PHE HE 100 THR QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1170,1174, igr2=1541,1542,1543, &end # # 74 PHE HE 101 ASN HA 3.62 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr1=1170,1174, &end # # 74 PHE HE 101 ASN HB2 4.73 &rst ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1=1170,1174, &end # # 74 PHE HE 101 ASN HB3 4.23 &rst ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1=1170,1174, &end # # 74 PHE HE 99 VAL QG1 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=1170,1174, igr2=1525,1526,1527, &end # # 75 ASP HA 76 GLY H 3.35 &rst ixpk= 0, nxpk= 0, iat=1182,1192, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 75 ASP HB3 76 GLY H 4.04 &rst ixpk= 0, nxpk= 0, iat=1185,1192, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 76 GLY QA 100 THR QG2 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, igr1=1194,1195, igr2=1541,1542,1543, &end # # 76 GLY QA 101 ASN HB3 5.22 &rst ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1194,1195, &end # # 76 GLY QA 101 ASN HND1 5.25 &rst ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1=1194,1195, &end # # 76 GLY QA 102 LEU QB 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=1194,1195, igr2=1567,1568, &end # # 76 GLY QA 102 LEU QD2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1194,1195, igr2=1576,1577,1578, &end # # 76 GLY QA 77 THR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1194,1195, &end # # 76 GLY QA 99 VAL QG1 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1194,1195, igr2=1525,1526,1527, &end # # 77 THR H 100 THR H 3.94 &rst ixpk= 0, nxpk= 0, iat=1199,1535, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 77 THR H 100 THR HA 4.60 &rst ixpk= 0, nxpk= 0, iat=1199,1537, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 77 THR H 100 THR QG2 4.82 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1541,1542,1543, &end # # 77 THR H 102 LEU QB 4.95 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=1567,1568, &end # # 77 THR H 102 LEU QD2 5.46 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=1576,1577,1578, &end # # 77 THR H 77 THR HB 3.56 &rst ixpk= 0, nxpk= 0, iat=1199,1203, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 77 THR H 77 THR QG2 4.77 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr2=1205,1206,1207, &end # # 77 THR H 99 VAL QG1 4.27 &rst ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=1525,1526,1527, &end # # 77 THR HA 77 THR QG2 3.38 &rst ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=1205,1206,1207, &end # # 77 THR HA 78 ILE H 3.22 &rst ixpk= 0, nxpk= 0, iat=1201,1213, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 77 THR HA 78 ILE HB 4.57 &rst ixpk= 0, nxpk= 0, iat=1201,1217, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 77 THR HA 78 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1226,1227,1228, &end # # 77 THR HB 100 THR QG2 4.03 &rst ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=1541,1542,1543, &end # # 77 THR HB 102 LEU HG 5.50 &rst ixpk= 0, nxpk= 0, iat=1203,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 THR HB 102 LEU QD1 5.50 &rst ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1572,1573,1574, &end # # 77 THR HB 102 LEU QD2 4.60 &rst ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=1576,1577,1578, &end # # 77 THR HB 78 ILE H 3.82 &rst ixpk= 0, nxpk= 0, iat=1203,1213, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 77 THR QG2 100 THR H 5.19 &rst ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=1205,1206,1207, &end # # 77 THR QG2 100 THR QG2 4.01 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1205,1206,1207, igr2=1541,1542,1543, &end # # 77 THR QG2 78 ILE H 4.09 &rst ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1=1205,1206,1207, &end # # 78 ILE H 78 ILE HB 3.92 &rst ixpk= 0, nxpk= 0, iat=1213,1217, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 78 ILE H 78 ILE HG12 4.90 &rst ixpk= 0, nxpk= 0, iat=1213,1223, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 78 ILE H 78 ILE HG13 4.90 &rst ixpk= 0, nxpk= 0, iat=1213,1224, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 78 ILE H 78 ILE QD1 5.12 &rst ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1226,1227,1228, &end # # 78 ILE H 78 ILE QG2 3.58 &rst ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=1219,1220,1221, &end # # 78 ILE H 79 GLY H 4.65 &rst ixpk= 0, nxpk= 0, iat=1213,1232, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 78 ILE HA 100 THR H 3.99 &rst ixpk= 0, nxpk= 0, iat=1215,1535, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 78 ILE HA 100 THR QG2 3.84 &rst ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=1541,1542,1543, &end # # 78 ILE HA 78 ILE HG12 3.31 &rst ixpk= 0, nxpk= 0, iat=1215,1223, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 78 ILE HA 78 ILE HG13 3.12 &rst ixpk= 0, nxpk= 0, iat=1215,1224, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 78 ILE HA 78 ILE QD1 4.19 &rst ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1226,1227,1228, &end # # 78 ILE HA 79 GLY H 3.45 &rst ixpk= 0, nxpk= 0, iat=1215,1232, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 78 ILE HA 99 VAL H 5.19 &rst ixpk= 0, nxpk= 0, iat=1215,1519, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 78 ILE HA 99 VAL QG1 3.83 &rst ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1525,1526,1527, &end # # 78 ILE HB 78 ILE QD1 3.55 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2=1226,1227,1228, &end # # 78 ILE HB 79 GLY H 4.78 &rst ixpk= 0, nxpk= 0, iat=1217,1232, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 78 ILE HB 99 VAL QG1 4.11 &rst ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1525,1526,1527, &end # # 78 ILE HG12 79 GLY H 3.94 &rst ixpk= 0, nxpk= 0, iat=1223,1232, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 78 ILE HG12 97 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1223,1483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 ILE HG12 99 VAL QG1 4.58 &rst ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1525,1526,1527, &end # # 78 ILE HG13 79 GLY H 3.87 &rst ixpk= 0, nxpk= 0, iat=1224,1232, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 78 ILE HG13 97 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1224,1483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 ILE HG13 97 VAL QG2 5.16 &rst ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2=1489,1490,1491, &end # # 78 ILE HG13 99 VAL HA 4.70 &rst ixpk= 0, nxpk= 0, iat=1224,1521, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 78 ILE QD1 79 GLY H 4.70 &rst ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=1226,1227,1228, &end # # 78 ILE QD1 79 GLY QA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1226,1227,1228, igr2=1234,1235, &end # # 78 ILE QD1 97 VAL HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1226,1227,1228, &end # # 78 ILE QD1 97 VAL HB 4.90 &rst ixpk= 0, nxpk= 0, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1226,1227,1228, &end # # 78 ILE QD1 97 VAL QG1 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1226,1227,1228, igr2=1485,1486,1487, &end # # 78 ILE QD1 97 VAL QG2 4.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1226,1227,1228, igr2=1489,1490,1491, &end # # 78 ILE QD1 99 VAL HA 4.84 &rst ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=1226,1227,1228, &end # # 78 ILE QD1 99 VAL HB 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=1226,1227,1228, &end # # 78 ILE QD1 99 VAL QG1 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1226,1227,1228, igr2=1525,1526,1527, &end # # 78 ILE QG2 78 ILE QD1 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=1219,1220,1221, igr2=1226,1227,1228, &end # # 79 GLY H 80 ASP H 4.73 &rst ixpk= 0, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 79 GLY H 97 VAL QG1 4.13 &rst ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=1485,1486,1487, &end # # 79 GLY H 99 VAL HA 4.33 &rst ixpk= 0, nxpk= 0, iat=1232,1521, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 79 GLY QA 80 ASP H 3.22 &rst ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr1=1234,1235, &end # # 79 GLY QA 98 ARG HG2 4.19 &rst ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=1234,1235, &end # # 79 GLY QA 98 ARG HG3 4.14 &rst ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=1234,1235, &end # # 80 ASP H 80 ASP HB2 3.63 &rst ixpk= 0, nxpk= 0, iat=1239,1243, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 80 ASP H 80 ASP HB3 3.29 &rst ixpk= 0, nxpk= 0, iat=1239,1244, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 80 ASP H 81 ALA H 4.89 &rst ixpk= 0, nxpk= 0, iat=1239,1251, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 80 ASP HA 81 ALA H 2.83 &rst ixpk= 0, nxpk= 0, iat=1241,1251, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end # # 80 ASP HB2 81 ALA H 3.88 &rst ixpk= 0, nxpk= 0, iat=1243,1251, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 80 ASP HB3 81 ALA H 4.17 &rst ixpk= 0, nxpk= 0, iat=1244,1251, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 80 ASP HB3 81 ALA QB 5.09 &rst ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=1255,1256,1257, &end # # 81 ALA H 81 ALA QB 3.61 &rst ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1255,1256,1257, &end # # 81 ALA H 97 VAL QG1 5.48 &rst ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=1485,1486,1487, &end # # 81 ALA HA 82 LEU H 3.55 &rst ixpk= 0, nxpk= 0, iat=1253,1261, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 81 ALA HA 83 VAL H 4.79 &rst ixpk= 0, nxpk= 0, iat=1253,1280, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 81 ALA HA 97 VAL HB 3.31 &rst ixpk= 0, nxpk= 0, iat=1253,1483, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 81 ALA HA 97 VAL QG1 3.58 &rst ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=1485,1486,1487, &end # # 81 ALA HA 97 VAL QG2 5.13 &rst ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1489,1490,1491, &end # # 81 ALA QB 82 LEU H 3.97 &rst ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=1255,1256,1257, &end # # 81 ALA QB 82 LEU HA 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=1255,1256,1257, &end # # 81 ALA QB 83 VAL H 3.67 &rst ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1255,1256,1257, &end # # 81 ALA QB 83 VAL QG2 4.45 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1=1255,1256,1257, igr2=1290,1291,1292, &end # # 81 ALA QB 97 VAL HB 4.53 &rst ixpk= 0, nxpk= 0, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1255,1256,1257, &end # # 82 LEU H 82 LEU HB2 3.44 &rst ixpk= 0, nxpk= 0, iat=1261,1265, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 82 LEU H 82 LEU HB3 4.14 &rst ixpk= 0, nxpk= 0, iat=1261,1266, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 82 LEU H 82 LEU QD1 4.07 &rst ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=1270,1271,1272, &end # # 82 LEU H 82 LEU QD2 3.99 &rst ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=1274,1275,1276, &end # # 82 LEU H 83 VAL H 3.54 &rst ixpk= 0, nxpk= 0, iat=1261,1280, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 82 LEU H 83 VAL HA 5.35 &rst ixpk= 0, nxpk= 0, iat=1261,1282, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 82 LEU H 97 VAL HA 4.25 &rst ixpk= 0, nxpk= 0, iat=1261,1481, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 82 LEU H 97 VAL HB 4.73 &rst ixpk= 0, nxpk= 0, iat=1261,1483, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 82 LEU H 97 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1489,1490,1491, &end # # 82 LEU HA 82 LEU HB2 2.86 &rst ixpk= 0, nxpk= 0, iat=1263,1265, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end # # 82 LEU HA 82 LEU QD2 3.03 &rst ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=1274,1275,1276, &end # # 82 LEU HB2 82 LEU QD1 2.93 &rst ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2=1270,1271,1272, &end # # 82 LEU HB2 82 LEU QD2 2.90 &rst ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=1274,1275,1276, &end # # 82 LEU HB2 83 VAL H 4.91 &rst ixpk= 0, nxpk= 0, iat=1265,1280, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 82 LEU HB2 83 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1290,1291,1292, &end # # 82 LEU HB2 97 VAL HA 3.52 &rst ixpk= 0, nxpk= 0, iat=1265,1481, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 82 LEU HB3 83 VAL H 4.89 &rst ixpk= 0, nxpk= 0, iat=1266,1280, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 82 LEU QD1 95 GLU H 4.95 &rst ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1270,1271,1272, &end # # 82 LEU QD1 95 GLU HA 5.19 &rst ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=1270,1271,1272, &end # # 82 LEU QD1 95 GLU HB2 3.98 &rst ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1=1270,1271,1272, &end # # 82 LEU QD1 95 GLU HG2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1270,1271,1272, &end # # 82 LEU QD1 97 VAL H 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=1270,1271,1272, &end # # 82 LEU QD1 97 VAL HA 3.54 &rst ixpk= 0, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1=1270,1271,1272, &end # # 82 LEU QD1 98 ARG H 4.81 &rst ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1270,1271,1272, &end # # 83 VAL H 83 VAL QG1 4.11 &rst ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=1286,1287,1288, &end # # 83 VAL H 83 VAL QG2 3.52 &rst ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=1290,1291,1292, &end # # 83 VAL H 84 ASN H 4.85 &rst ixpk= 0, nxpk= 0, iat=1280,1296, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 83 VAL HA 83 VAL QG1 3.16 &rst ixpk= 0, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=1286,1287,1288, &end # # 83 VAL HA 84 ASN H 3.10 &rst ixpk= 0, nxpk= 0, iat=1282,1296, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 83 VAL HA 84 ASN HA 4.50 &rst ixpk= 0, nxpk= 0, iat=1282,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 VAL HA 87 ASP H 5.28 &rst ixpk= 0, nxpk= 0, iat=1282,1336, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 83 VAL HB 84 ASN H 3.50 &rst ixpk= 0, nxpk= 0, iat=1284,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 83 VAL HB 84 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1284,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 VAL HB 84 ASN HND2 5.17 &rst ixpk= 0, nxpk= 0, iat=1284,1306, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 83 VAL HB 87 ASP H 4.71 &rst ixpk= 0, nxpk= 0, iat=1284,1336, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 83 VAL HB 87 ASP HB2 3.58 &rst ixpk= 0, nxpk= 0, iat=1284,1340, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 83 VAL HB 87 ASP HB3 4.48 &rst ixpk= 0, nxpk= 0, iat=1284,1341, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 83 VAL HB 89 VAL QG1 4.98 &rst ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=1375,1376,1377, &end # # 83 VAL QG1 84 ASN H 3.99 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=1286,1287,1288, &end # # 83 VAL QG1 87 ASP HB2 4.48 &rst ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=1286,1287,1288, &end # # 83 VAL QG1 87 ASP HB3 4.76 &rst ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=1286,1287,1288, &end # # 83 VAL QG1 89 VAL QG1 4.08 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1286,1287,1288, igr2=1375,1376,1377, &end # # 83 VAL QG1 94 THR HB 5.49 &rst ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1=1286,1287,1288, &end # # 83 VAL QG1 94 THR QG2 3.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=1286,1287,1288, igr2=1437,1438,1439, &end # # 83 VAL QG1 96 LEU QD2 3.75 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1=1286,1287,1288, igr2=1473,1474,1475, &end # # 83 VAL QG2 84 ASN H 4.64 &rst ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=1290,1291,1292, &end # # 83 VAL QG2 84 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1290,1291,1292, &end # # 83 VAL QG2 87 ASP HB2 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1290,1291,1292, &end # # 83 VAL QG2 96 LEU HA 3.71 &rst ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=1290,1291,1292, &end # # 83 VAL QG2 96 LEU HB3 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=1290,1291,1292, &end # # 83 VAL QG2 96 LEU QD2 3.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=1290,1291,1292, igr2=1473,1474,1475, &end # # 84 ASN H 84 ASN HB2 3.74 &rst ixpk= 0, nxpk= 0, iat=1296,1300, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 84 ASN H 84 ASN HB3 3.65 &rst ixpk= 0, nxpk= 0, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 84 ASN H 84 ASN HND2 5.01 &rst ixpk= 0, nxpk= 0, iat=1296,1306, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 84 ASN H 85 ILE H 5.05 &rst ixpk= 0, nxpk= 0, iat=1296,1310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 84 ASN H 87 ASP H 4.66 &rst ixpk= 0, nxpk= 0, iat=1296,1336, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 84 ASN H 87 ASP HB2 4.18 &rst ixpk= 0, nxpk= 0, iat=1296,1340, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 84 ASN H 87 ASP HB3 4.40 &rst ixpk= 0, nxpk= 0, iat=1296,1341, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 84 ASN HA 84 ASN HND1 5.50 &rst ixpk= 0, nxpk= 0, iat=1298,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ASN HA 84 ASN HND2 5.24 &rst ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 84 ASN HA 85 ILE H 3.13 &rst ixpk= 0, nxpk= 0, iat=1298,1310, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 84 ASN HA 85 ILE HA 5.23 &rst ixpk= 0, nxpk= 0, iat=1298,1312, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 84 ASN HA 86 GLY H 5.50 &rst ixpk= 0, nxpk= 0, iat=1298,1329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ASN HB2 85 ILE H 3.66 &rst ixpk= 0, nxpk= 0, iat=1300,1310, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 84 ASN HB2 85 ILE HB 4.62 &rst ixpk= 0, nxpk= 0, iat=1300,1314, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 84 ASN HB2 87 ASP H 3.92 &rst ixpk= 0, nxpk= 0, iat=1300,1336, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 84 ASN HB3 84 ASN HND1 3.98 &rst ixpk= 0, nxpk= 0, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 84 ASN HB3 85 ILE H 4.04 &rst ixpk= 0, nxpk= 0, iat=1301,1310, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 85 ILE H 85 ILE HB 3.30 &rst ixpk= 0, nxpk= 0, iat=1310,1314, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 85 ILE H 85 ILE HG12 3.61 &rst ixpk= 0, nxpk= 0, iat=1310,1320, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 85 ILE H 85 ILE HG13 3.58 &rst ixpk= 0, nxpk= 0, iat=1310,1321, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 85 ILE H 85 ILE QD1 3.55 &rst ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2=1323,1324,1325, &end # # 85 ILE H 85 ILE QG2 3.75 &rst ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=1316,1317,1318, &end # # 85 ILE H 86 GLY H 4.68 &rst ixpk= 0, nxpk= 0, iat=1310,1329, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 85 ILE HA 85 ILE HG12 3.79 &rst ixpk= 0, nxpk= 0, iat=1312,1320, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 85 ILE HA 85 ILE QD1 3.52 &rst ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=1323,1324,1325, &end # # 85 ILE HA 85 ILE QG2 2.97 &rst ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2=1316,1317,1318, &end # # 85 ILE HA 86 GLY H 3.22 &rst ixpk= 0, nxpk= 0, iat=1312,1329, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 85 ILE HB 86 GLY H 4.62 &rst ixpk= 0, nxpk= 0, iat=1314,1329, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 85 ILE HB 87 ASP H 5.50 &rst ixpk= 0, nxpk= 0, iat=1314,1336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 ILE HG13 86 GLY H 5.16 &rst ixpk= 0, nxpk= 0, iat=1321,1329, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 85 ILE QD1 86 GLY H 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1323,1324,1325, &end # # 86 GLY H 87 ASP H 3.71 &rst ixpk= 0, nxpk= 0, iat=1329,1336, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 86 GLY H 87 ASP HB3 5.50 &rst ixpk= 0, nxpk= 0, iat=1329,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 ASP H 87 ASP HB2 3.37 &rst ixpk= 0, nxpk= 0, iat=1336,1340, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 87 ASP H 87 ASP HB3 3.63 &rst ixpk= 0, nxpk= 0, iat=1336,1341, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 87 ASP H 88 TYR H 4.74 &rst ixpk= 0, nxpk= 0, iat=1336,1348, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 87 ASP H 89 VAL QG1 5.13 &rst ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=1375,1376,1377, &end # # 87 ASP HA 88 TYR H 3.12 &rst ixpk= 0, nxpk= 0, iat=1338,1348, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 87 ASP HB2 89 VAL QG1 5.48 &rst ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=1375,1376,1377, &end # # 87 ASP HB3 88 TYR H 3.80 &rst ixpk= 0, nxpk= 0, iat=1341,1348, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 87 ASP HB3 89 VAL QG1 5.05 &rst ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2=1375,1376,1377, &end # # 88 TYR H 88 TYR QB 3.13 &rst ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=1352,1353, &end # # 88 TYR H 88 TYR HD 4.48 &rst ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=1356,1365, &end # # 88 TYR H 89 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1375,1376,1377, &end # # 88 TYR HA 88 TYR HD 3.40 &rst ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1356,1365, &end # # 88 TYR HA 88 TYR HE 4.26 &rst ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1358,1363, &end # # 88 TYR HA 89 VAL H 3.25 &rst ixpk= 0, nxpk= 0, iat=1350,1369, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 88 TYR HA 89 VAL QG1 4.24 &rst ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2=1375,1376,1377, &end # # 88 TYR QB 89 VAL H 4.32 &rst ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1352,1353, &end # # 88 TYR HD 89 VAL H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1=1356,1365, &end # # 88 TYR HE 90 SER HB2 4.20 &rst ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=1358,1363, &end # # 88 TYR HE 90 SER HB3 4.60 &rst ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=1358,1363, &end # # 89 VAL H 89 VAL QG1 4.20 &rst ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=1375,1376,1377, &end # # 89 VAL H 89 VAL QG2 3.81 &rst ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1379,1380,1381, &end # # 89 VAL HA 89 VAL QG1 3.21 &rst ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=1375,1376,1377, &end # # 89 VAL HA 90 SER H 3.54 &rst ixpk= 0, nxpk= 0, iat=1371,1385, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 89 VAL HA 94 THR HB 4.22 &rst ixpk= 0, nxpk= 0, iat=1371,1435, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 89 VAL HA 94 THR QG2 3.45 &rst ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1437,1438,1439, &end # # 89 VAL HB 90 SER H 4.19 &rst ixpk= 0, nxpk= 0, iat=1373,1385, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 89 VAL HB 90 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat=1373,1389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 VAL HB 90 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat=1373,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 VAL HB 94 THR HA 5.36 &rst ixpk= 0, nxpk= 0, iat=1373,1433, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 89 VAL HB 94 THR HB 3.21 &rst ixpk= 0, nxpk= 0, iat=1373,1435, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 89 VAL HB 94 THR QG2 3.90 &rst ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1437,1438,1439, &end # # 89 VAL HB 96 LEU QD2 4.44 &rst ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=1473,1474,1475, &end # # 89 VAL QG1 90 SER H 4.75 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1375,1376,1377, &end # # 89 VAL QG1 90 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1375,1376,1377, &end # # 89 VAL QG1 94 THR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1375,1376,1377, &end # # 89 VAL QG1 94 THR HB 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=1375,1376,1377, &end # # 89 VAL QG1 94 THR QG2 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1375,1376,1377, igr2=1437,1438,1439, &end # # 89 VAL QG1 95 GLU H 4.80 &rst ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=1375,1376,1377, &end # # 89 VAL QG1 96 LEU QD2 3.67 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1=1375,1376,1377, igr2=1473,1474,1475, &end # # 89 VAL QG2 90 SER H 5.03 &rst ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=1379,1380,1381, &end # # 89 VAL QG2 90 SER HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1379,1380,1381, &end # # 89 VAL QG2 90 SER HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1379,1380,1381, &end # # 89 VAL QG2 94 THR HB 4.33 &rst ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=1379,1380,1381, &end # # 90 SER H 90 SER HB2 3.79 &rst ixpk= 0, nxpk= 0, iat=1385,1389, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 90 SER H 90 SER HB3 3.81 &rst ixpk= 0, nxpk= 0, iat=1385,1390, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 90 SER H 93 THR H 5.19 &rst ixpk= 0, nxpk= 0, iat=1385,1417, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 90 SER H 93 THR HB 4.91 &rst ixpk= 0, nxpk= 0, iat=1385,1421, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 90 SER H 94 THR H 4.41 &rst ixpk= 0, nxpk= 0, iat=1385,1431, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 90 SER H 94 THR HB 3.83 &rst ixpk= 0, nxpk= 0, iat=1385,1435, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 90 SER H 94 THR QG2 4.24 &rst ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr2=1437,1438,1439, &end # # 90 SER HB2 91 ALA H 4.47 &rst ixpk= 0, nxpk= 0, iat=1389,1396, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end # # 90 SER HB3 93 THR HB 3.66 &rst ixpk= 0, nxpk= 0, iat=1390,1421, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 90 SER HB3 93 THR QG2 4.21 &rst ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=1423,1424,1425, &end # # 91 ALA H 91 ALA QB 3.65 &rst ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=1400,1401,1402, &end # # 91 ALA H 93 THR H 4.86 &rst ixpk= 0, nxpk= 0, iat=1396,1417, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 91 ALA HA 92 SER H 3.36 &rst ixpk= 0, nxpk= 0, iat=1398,1406, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 91 ALA HA 92 SER HA 3.96 &rst ixpk= 0, nxpk= 0, iat=1398,1408, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 91 ALA HA 93 THR H 4.12 &rst ixpk= 0, nxpk= 0, iat=1398,1417, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 91 ALA QB 92 SER H 3.95 &rst ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=1400,1401,1402, &end # # 91 ALA QB 92 SER HA 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=1400,1401,1402, &end # # 91 ALA QB 92 SER HB3 4.99 &rst ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1400,1401,1402, &end # # 91 ALA QB 93 THR H 4.45 &rst ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1400,1401,1402, &end # # 92 SER H 92 SER HB3 4.06 &rst ixpk= 0, nxpk= 0, iat=1406,1411, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 92 SER H 93 THR H 4.35 &rst ixpk= 0, nxpk= 0, iat=1406,1417, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 92 SER H 93 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1406,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 SER HB2 93 THR H 4.92 &rst ixpk= 0, nxpk= 0, iat=1410,1417, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 93 THR H 93 THR HB 3.17 &rst ixpk= 0, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 93 THR H 93 THR QG2 4.33 &rst ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1423,1424,1425, &end # # 93 THR H 94 THR H 3.64 &rst ixpk= 0, nxpk= 0, iat=1417,1431, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 93 THR HA 93 THR QG2 3.45 &rst ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1423,1424,1425, &end # # 93 THR HB 94 THR H 3.39 &rst ixpk= 0, nxpk= 0, iat=1421,1431, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 93 THR QG2 94 THR H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1423,1424,1425, &end # # 94 THR H 94 THR HB 3.50 &rst ixpk= 0, nxpk= 0, iat=1431,1435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 94 THR H 94 THR QG2 3.93 &rst ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1437,1438,1439, &end # # 94 THR H 95 GLU H 4.59 &rst ixpk= 0, nxpk= 0, iat=1431,1445, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 94 THR H 95 GLU HB3 5.50 &rst ixpk= 0, nxpk= 0, iat=1431,1450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 THR H 96 LEU QD2 5.46 &rst ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=1473,1474,1475, &end # # 94 THR HA 94 THR QG2 3.01 &rst ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=1437,1438,1439, &end # # 94 THR HA 95 GLU H 3.57 &rst ixpk= 0, nxpk= 0, iat=1433,1445, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 94 THR HA 95 GLU HB2 4.80 &rst ixpk= 0, nxpk= 0, iat=1433,1449, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 94 THR HA 95 GLU HG2 4.38 &rst ixpk= 0, nxpk= 0, iat=1433,1452, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 94 THR HB 95 GLU H 5.01 &rst ixpk= 0, nxpk= 0, iat=1435,1445, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 94 THR HB 95 GLU HG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1435,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 THR HB 96 LEU QD2 4.07 &rst ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=1473,1474,1475, &end # # 94 THR QG2 95 GLU H 3.84 &rst ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=1437,1438,1439, &end # # 94 THR QG2 95 GLU HG2 5.39 &rst ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=1437,1438,1439, &end # # 94 THR QG2 96 LEU QD2 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=1437,1438,1439, igr2=1473,1474,1475, &end # # 95 GLU H 95 GLU HB2 4.04 &rst ixpk= 0, nxpk= 0, iat=1445,1449, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 95 GLU H 95 GLU HB3 4.11 &rst ixpk= 0, nxpk= 0, iat=1445,1450, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 95 GLU H 95 GLU HG2 3.95 &rst ixpk= 0, nxpk= 0, iat=1445,1452, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 95 GLU H 95 GLU HG3 4.23 &rst ixpk= 0, nxpk= 0, iat=1445,1453, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 95 GLU HA 95 GLU HG2 3.77 &rst ixpk= 0, nxpk= 0, iat=1447,1452, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 95 GLU HA 95 GLU HG3 3.68 &rst ixpk= 0, nxpk= 0, iat=1447,1453, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 95 GLU HA 96 LEU H 3.51 &rst ixpk= 0, nxpk= 0, iat=1447,1460, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 95 GLU HA 96 LEU QD2 5.02 &rst ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=1473,1474,1475, &end # # 95 GLU HA 97 VAL H 4.55 &rst ixpk= 0, nxpk= 0, iat=1447,1479, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 95 GLU HB3 96 LEU H 5.37 &rst ixpk= 0, nxpk= 0, iat=1450,1460, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 95 GLU HG2 96 LEU H 5.48 &rst ixpk= 0, nxpk= 0, iat=1452,1460, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 95 GLU HG3 96 LEU H 5.25 &rst ixpk= 0, nxpk= 0, iat=1453,1460, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 96 LEU H 96 LEU HB2 4.05 &rst ixpk= 0, nxpk= 0, iat=1460,1464, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 96 LEU H 96 LEU HG 4.06 &rst ixpk= 0, nxpk= 0, iat=1460,1467, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 96 LEU H 96 LEU QD1 4.27 &rst ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=1469,1470,1471, &end # # 96 LEU H 96 LEU QD2 4.30 &rst ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1473,1474,1475, &end # # 96 LEU H 97 VAL H 3.73 &rst ixpk= 0, nxpk= 0, iat=1460,1479, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 96 LEU HA 96 LEU QD2 3.30 &rst ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=1473,1474,1475, &end # # 96 LEU HA 97 VAL HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1462,1483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 LEU HB2 96 LEU QD1 3.70 &rst ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=1469,1470,1471, &end # # 96 LEU HB2 97 VAL H 3.69 &rst ixpk= 0, nxpk= 0, iat=1464,1479, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 96 LEU HB2 97 VAL HB 4.92 &rst ixpk= 0, nxpk= 0, iat=1464,1483, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 96 LEU HB2 97 VAL QG2 5.14 &rst ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1489,1490,1491, &end # # 96 LEU HB3 96 LEU QD1 3.60 &rst ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2=1469,1470,1471, &end # # 96 LEU HB3 96 LEU QD2 3.45 &rst ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=1473,1474,1475, &end # # 96 LEU HB3 97 VAL H 4.08 &rst ixpk= 0, nxpk= 0, iat=1465,1479, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 96 LEU HB3 97 VAL QG1 3.31 &rst ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=1485,1486,1487, &end # # 96 LEU QD1 97 VAL H 4.31 &rst ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=1469,1470,1471, &end # # 96 LEU QD2 97 VAL H 5.00 &rst ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=1473,1474,1475, &end # # 97 VAL H 97 VAL QG2 4.10 &rst ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1489,1490,1491, &end # # 97 VAL H 98 ARG HA 5.33 &rst ixpk= 0, nxpk= 0, iat=1479,1497, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end # # 97 VAL HA 97 VAL QG1 3.32 &rst ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=1485,1486,1487, &end # # 97 VAL HA 98 ARG H 3.38 &rst ixpk= 0, nxpk= 0, iat=1481,1495, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 97 VAL HA 98 ARG HA 5.39 &rst ixpk= 0, nxpk= 0, iat=1481,1497, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 97 VAL HB 98 ARG H 4.69 &rst ixpk= 0, nxpk= 0, iat=1483,1495, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 97 VAL QG1 98 ARG H 4.11 &rst ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1485,1486,1487, &end # # 97 VAL QG1 98 ARG HA 5.31 &rst ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=1485,1486,1487, &end # # 97 VAL QG1 98 ARG HG3 5.08 &rst ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1=1485,1486,1487, &end # # 97 VAL QG2 98 ARG HA 3.69 &rst ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=1489,1490,1491, &end # # 98 ARG H 98 ARG HB2 3.97 &rst ixpk= 0, nxpk= 0, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 98 ARG H 98 ARG HB3 3.77 &rst ixpk= 0, nxpk= 0, iat=1495,1500, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 98 ARG H 98 ARG HD2 4.95 &rst ixpk= 0, nxpk= 0, iat=1495,1505, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 98 ARG H 98 ARG HD3 5.09 &rst ixpk= 0, nxpk= 0, iat=1495,1506, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 98 ARG H 98 ARG HG2 5.23 &rst ixpk= 0, nxpk= 0, iat=1495,1502, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 98 ARG HA 98 ARG HD2 5.06 &rst ixpk= 0, nxpk= 0, iat=1497,1505, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 98 ARG HA 98 ARG HD3 4.94 &rst ixpk= 0, nxpk= 0, iat=1497,1506, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 98 ARG HA 98 ARG HG2 4.00 &rst ixpk= 0, nxpk= 0, iat=1497,1502, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 98 ARG HA 98 ARG HG3 3.79 &rst ixpk= 0, nxpk= 0, iat=1497,1503, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 98 ARG HA 99 VAL H 3.05 &rst ixpk= 0, nxpk= 0, iat=1497,1519, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 98 ARG HB2 98 ARG HD2 3.89 &rst ixpk= 0, nxpk= 0, iat=1499,1505, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 98 ARG HB3 98 ARG HD2 3.39 &rst ixpk= 0, nxpk= 0, iat=1500,1505, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 98 ARG HB3 98 ARG HD3 4.06 &rst ixpk= 0, nxpk= 0, iat=1500,1506, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 98 ARG HG2 100 THR HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1502,1539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 ARG HG2 99 VAL H 5.50 &rst ixpk= 0, nxpk= 0, iat=1502,1519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 99 VAL H 99 VAL HB 3.64 &rst ixpk= 0, nxpk= 0, iat=1519,1523, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 99 VAL H 99 VAL QG1 4.09 &rst ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1525,1526,1527, &end # # 99 VAL HA 100 THR H 3.16 &rst ixpk= 0, nxpk= 0, iat=1521,1535, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 99 VAL HA 99 VAL QG1 3.18 &rst ixpk= 0, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=1525,1526,1527, &end # # 99 VAL QG1 100 THR H 3.46 &rst ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=1525,1526,1527, &end # # 99 VAL QG1 100 THR HB 5.13 &rst ixpk= 0, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=1525,1526,1527, &end # # 99 VAL QG1 100 THR QG2 5.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1525,1526,1527, igr2=1541,1542,1543, &end # # 99 VAL QG1 101 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1525,1526,1527, &end # # 100 THR H 100 THR HB 3.53 &rst ixpk= 0, nxpk= 0, iat=1535,1539, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 100 THR H 100 THR QG2 3.96 &rst ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=1541,1542,1543, &end # # 100 THR HA 100 THR QG2 3.33 &rst ixpk= 0, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=1541,1542,1543, &end # # 100 THR HA 101 ASN HB3 5.43 &rst ixpk= 0, nxpk= 0, iat=1537,1554, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 100 THR QG2 101 ASN HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1541,1542,1543, &end # # 100 THR QG2 101 ASN HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1541,1542,1543, &end # # 101 ASN HA 102 LEU QB 4.90 &rst ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1567,1568, &end # # 101 ASN HA 102 LEU QD1 5.07 &rst ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2=1572,1573,1574, &end # # 101 ASN HND1 104 PRO HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1558,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 101 ASN HND2 104 PRO HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1559,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 LEU H 102 LEU HG 5.23 &rst ixpk= 0, nxpk= 0, iat=1563,1570, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 102 LEU H 102 LEU QB 3.66 &rst ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1567,1568, &end # # 102 LEU H 102 LEU QD1 5.04 &rst ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=1572,1573,1574, &end # # 102 LEU HA 102 LEU QB 3.00 &rst ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=1567,1568, &end # # 102 LEU HA 102 LEU QD2 3.09 &rst ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, igr2=1576,1577,1578, &end # # 102 LEU QB 102 LEU QD1 3.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1=1567,1568, igr2=1572,1573,1574, &end # # 102 LEU QB 103 ASN H 5.36 &rst ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1=1567,1568, &end # # 102 LEU QB 103 ASN HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1567,1568, &end # # 102 LEU QB 103 ASN HB3 5.22 &rst ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1567,1568, &end # # 102 LEU QB 106 TYR HD 5.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1567,1568, igr2=1637,1646, &end # # 102 LEU QD1 106 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1572,1573,1574, igr2=1637,1646, &end # # 102 LEU QD2 106 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1576,1577,1578, igr2=1637,1646, &end # # 102 LEU QD2 106 TYR HE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1576,1577,1578, igr2=1639,1644, &end # # 103 ASN HA 104 PRO HB3 4.87 &rst ixpk= 0, nxpk= 0, iat=1584,1604, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 103 ASN HA 104 PRO HD2 3.26 &rst ixpk= 0, nxpk= 0, iat=1584,1597, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 103 ASN HA 104 PRO HD3 3.22 &rst ixpk= 0, nxpk= 0, iat=1584,1598, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 103 ASN HA 104 PRO QG 4.37 &rst ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=1600,1601, &end # # 103 ASN HA 105 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat=1584,1620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 ASN HB2 104 PRO HD2 4.52 &rst ixpk= 0, nxpk= 0, iat=1586,1597, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 103 ASN HB2 104 PRO HD3 4.16 &rst ixpk= 0, nxpk= 0, iat=1586,1598, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 103 ASN HB2 104 PRO QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1600,1601, &end # # 103 ASN HB2 105 ILE HB 5.50 &rst ixpk= 0, nxpk= 0, iat=1586,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 ASN HB2 105 ILE HG13 4.99 &rst ixpk= 0, nxpk= 0, iat=1586,1621, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 103 ASN HB2 105 ILE QD1 5.50 &rst ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1623,1624,1625, &end # # 103 ASN HB2 106 TYR HE 4.72 &rst ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1639,1644, &end # # 103 ASN HB3 104 PRO HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1587,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 ASN HB3 104 PRO HD2 5.20 &rst ixpk= 0, nxpk= 0, iat=1587,1597, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 103 ASN HB3 104 PRO HD3 4.33 &rst ixpk= 0, nxpk= 0, iat=1587,1598, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 103 ASN HB3 104 PRO QG 5.50 &rst ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1600,1601, &end # # 104 PRO HA 105 ILE H 3.12 &rst ixpk= 0, nxpk= 0, iat=1606,1610, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 104 PRO HA 105 ILE HG12 5.50 &rst ixpk= 0, nxpk= 0, iat=1606,1620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 PRO HA 105 ILE HG13 5.50 &rst ixpk= 0, nxpk= 0, iat=1606,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 PRO HA 105 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1616,1617,1618, &end # # 104 PRO HB2 105 ILE H 4.37 &rst ixpk= 0, nxpk= 0, iat=1603,1610, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 104 PRO HB3 105 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1616,1617,1618, &end # # 104 PRO HD3 105 ILE H 5.27 &rst ixpk= 0, nxpk= 0, iat=1598,1610, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 104 PRO QG 105 ILE H 4.96 &rst ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=1600,1601, &end # # 104 PRO QG 105 ILE QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1600,1601, igr2=1616,1617,1618, &end # # 105 ILE H 105 ILE HG12 4.42 &rst ixpk= 0, nxpk= 0, iat=1610,1620, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 105 ILE H 105 ILE HG13 4.36 &rst ixpk= 0, nxpk= 0, iat=1610,1621, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 105 ILE H 105 ILE QD1 5.46 &rst ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=1623,1624,1625, &end # # 105 ILE H 105 ILE QG2 4.42 &rst ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=1616,1617,1618, &end # # 105 ILE HA 105 ILE HG13 4.12 &rst ixpk= 0, nxpk= 0, iat=1612,1621, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 105 ILE HA 105 ILE QD1 4.51 &rst ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=1623,1624,1625, &end # # 105 ILE HA 105 ILE QG2 3.61 &rst ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=1616,1617,1618, &end # # 105 ILE HA 106 TYR H 3.41 &rst ixpk= 0, nxpk= 0, iat=1612,1629, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 105 ILE HA 106 TYR HB2 5.49 &rst ixpk= 0, nxpk= 0, iat=1612,1633, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 105 ILE HA 106 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1637,1646, &end # # 105 ILE HB 105 ILE QD1 4.25 &rst ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=1623,1624,1625, &end # # 105 ILE HB 106 TYR HA 5.50 &rst ixpk= 0, nxpk= 0, iat=1614,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 ILE HB 106 TYR HD 4.88 &rst ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=1637,1646, &end # # 105 ILE HG13 106 TYR HD 3.99 &rst ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=1637,1646, &end # # 105 ILE HG13 106 TYR HE 4.67 &rst ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1639,1644, &end # # 105 ILE QD1 106 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1623,1624,1625, igr2=1637,1646, &end # # 105 ILE QD1 106 TYR HE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1623,1624,1625, igr2=1639,1644, &end # # 105 ILE QG2 106 TYR H 5.16 &rst ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1=1616,1617,1618, &end # # 105 ILE QG2 106 TYR HD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1616,1617,1618, igr2=1637,1646, &end # # 106 TYR H 106 TYR HB2 3.98 &rst ixpk= 0, nxpk= 0, iat=1629,1633, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 106 TYR H 106 TYR HB3 3.88 &rst ixpk= 0, nxpk= 0, iat=1629,1634, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 106 TYR H 106 TYR HD 4.92 &rst ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=1637,1646, &end # # 106 TYR HA 106 TYR HD 3.49 &rst ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=1637,1646, &end # # 106 TYR HA 107 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1654,1655,1656, &end # # 106 TYR HB3 107 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1654,1655,1656, &end # # 107 ALA HA 108 ASP HA 4.40 &rst ixpk= 0, nxpk= 0, iat=1652,1662, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 107 ALA HA 108 ASP HB2 4.78 &rst ixpk= 0, nxpk= 0, iat=1652,1664, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 107 ALA QB 108 ASP H 5.41 &rst ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=1654,1655,1656, &end # # 2 VAL H 99 VAL O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 16,1533, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, rk2=50, rk3=50, ir6=1, ialtd=0, &end # # 99 VAL H 2 VAL O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1519, 30, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 4 ILE H 97 VAL O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 51,1493, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 10 GLY H 89 VAL O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 150,1383, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 89 VAL H 10 GLY O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1369, 155, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 12 ILE H 87 ASP O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 173,1346, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 11 VAL H 33 GLU O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 157, 544, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 33 GLU H 11 VAL O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 531, 171, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 13 VAL H 31 ILE O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 192, 510, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 31 ILE H 14 ASN O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 493, 220, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 16 LEU H 29 LEU O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 244, 471, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 78 ILE H 21 ASP O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1213, 332, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 23 VAL H 76 GLY O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 356,1197, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 76 GLY H 23 VAL O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1192, 370, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 72 ALA H 27 GLN O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1136, 438, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 30 PHE H 70 ILE O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 473,1112, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 70 ILE H 30 PHE O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1095, 491, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 32 ILE H 68 THR O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat= 512,1078, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 68 THR H 32 ILE O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1066, 529, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 100 THR H 77 THR O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1535,1211, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 77 THR H 100 THR O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1199,1547, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 79 GLY H 98 ARG O 1.7 2.3 &rst ixpk= 0, nxpk= 0, iat=1232,1517, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, &end # # 2 VAL N 99 VAL O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 15,1533, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 99 VAL N 2 VAL O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1518, 30, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 4 ILE N 97 VAL O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 50,1493, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 10 GLY N 89 VAL O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 149,1383, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 89 VAL N 10 GLY O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1368, 155, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 12 ILE N 87 ASP O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 172,1346, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 11 VAL N 33 GLU O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 156, 544, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 33 GLU N 11 VAL O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 530, 171, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 13 VAL N 31 ILE O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 191, 510, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 31 ILE N 14 ASN O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 492, 220, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 16 LEU N 29 LEU O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 243, 471, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 78 ILE N 21 ASP O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1212, 332, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 23 VAL N 76 GLY O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 355,1197, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 76 GLY N 23 VAL O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1191, 370, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 72 ALA N 27 GLN O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1135, 438, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 30 PHE N 70 ILE O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 472,1112, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 70 ILE N 30 PHE O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1094, 491, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 32 ILE N 68 THR O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat= 511,1078, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 68 THR N 32 ILE O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1065, 529, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 100 THR N 77 THR O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1534,1211, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 77 THR N 100 THR O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1198,1547, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # # 79 GLY N 98 ARG O 2.6 3.2 &rst ixpk= 0, nxpk= 0, iat=1231,1517, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70, &end # 1791 atoms read from pdb file amber_cycle001.pdb.
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