Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
653356 | 6hpj RC | 34317 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# Restraints file 2: RST
#
# 72 TYR HA 74 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1091,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 74 TYR H 78 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1122,1188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TYR H 77 TYR H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1122,1162, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 74 TYR H 74 TYR QD 4.04
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1130,1139,
&end
#
# 17 ASN HD21 74 TYR H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 249,1122, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 74 TYR H 78 ARG HA 3.48
&rst
ixpk= 0, nxpk= 0, iat=1122,1185, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 73 ASP HA 74 TYR H 2.62
&rst
ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 74 TYR H 74 TYR HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat=1122,1126, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 74 TYR H 77 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1122,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TYR H 77 TYR HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1122,1166, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 74 TYR H 78 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 74 TYR H 74 TYR HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat=1122,1127, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 74 TYR H 78 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1122,1187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TYR H 79 LEU QQD 3.61
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 17 ASN HB2 79 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 243,1207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 TYR HB3 79 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1167,1207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 TYR H 79 LEU H 4.08
&rst
ixpk= 0, nxpk= 0, iat=1122,1207, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 72 TYR QD 79 LEU H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1097,1106,
&end
#
# 74 TYR QD 79 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1130,1139,
&end
#
# 17 ASN HD21 79 LEU H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 249,1207, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 78 ARG HA 79 LEU H 2.91
&rst
ixpk= 0, nxpk= 0, iat=1185,1207, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 72 TYR HA 79 LEU H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1091,1207, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 74 TYR HB2 79 LEU H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1126,1207, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 72 TYR HB2 79 LEU H 5.34
&rst
ixpk= 0, nxpk= 0, iat=1093,1207, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 78 ARG HB3 79 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1188,1207, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 79 LEU H 79 LEU HG 4.01
&rst
ixpk= 0, nxpk= 0, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 79 LEU H 79 LEU QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1211,1212,
&end
#
# 71 GLY H 79 LEU H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1082,1207, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 72 TYR HB3 79 LEU H 5.34
&rst
ixpk= 0, nxpk= 0, iat=1094,1207, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 43 LYS H 51 PHE QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 795, 803,
&end
#
# 43 LYS H 53 PHE H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 661, 817, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 43 LYS H 51 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 797, 801,
&end
#
# 42 LEU HA 43 LYS H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 644, 661, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 42 LEU QB 43 LYS H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 646, 647,
&end
#
# 43 LYS H 43 LYS HB3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 661, 666, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 43 LYS H 52 ALA QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 811, 812, 813,
&end
#
# 41 ASP H 53 PHE H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 630, 817, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 40 ILE H 41 ASP H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 611, 630, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 40 ILE HA 41 ASP H 2.75
&rst
ixpk= 0, nxpk= 0, iat= 613, 630, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 41 ASP H 41 ASP HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 41 ASP H 53 PHE QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 821, 822,
&end
#
# 41 ASP H 41 ASP HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 40 ILE HB 41 ASP H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 615, 630, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 ASP H 52 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 811, 812, 813,
&end
#
# 40 ILE QG2 41 ASP H 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 617, 618, 619,
&end
#
# 41 ASP H 54 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 847, 848, 849,
&end
#
# 41 ASP H 54 VAL QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 843, 844, 845,
&end
#
# 38 ARG H 55 GLU H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 575, 853, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 38 ARG H 57 GLU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 575, 888, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 38 ARG H 56 PHE HA 3.33
&rst
ixpk= 0, nxpk= 0, iat= 575, 870, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 37 ILE HA 38 ARG H 2.90
&rst
ixpk= 0, nxpk= 0, iat= 558, 575, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 37 ILE QG2 38 ARG H 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 562, 563, 564,
&end
#
# 38 ARG H 56 PHE QD 5.28
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 876, 884,
&end
#
# 38 ARG H 38 ARG QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 579, 580,
&end
#
# 36 ALA QB 38 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 550, 551, 552,
&end
#
# 39 ASP H 55 GLU H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 599, 853, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 ASP HA 55 GLU H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 601, 853, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 54 VAL HA 55 GLU H 2.69
&rst
ixpk= 0, nxpk= 0, iat= 839, 853, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 39 ASP HB3 55 GLU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 604, 853, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 39 ASP HB2 55 GLU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 603, 853, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 55 GLU H 55 GLU HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= 853, 858, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 55 GLU H 55 GLU HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 853, 857, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 54 VAL HB 55 GLU H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 841, 853, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 37 ILE QG2 55 GLU H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 562, 563, 564,
&end
#
# 54 VAL QG2 55 GLU H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 847, 848, 849,
&end
#
# 54 VAL QG1 55 GLU H 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 843, 844, 845,
&end
#
# 11 CYS HA 56 PHE H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 143, 868, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 80 ARG H 81 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1226,1250, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 80 ARG HA 81 VAL H 2.83
&rst
ixpk= 0, nxpk= 0, iat=1228,1250, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 81 VAL H 82 GLU HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1250,1268, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 70 ASP HA 81 VAL H 3.35
&rst
ixpk= 0, nxpk= 0, iat=1072,1250, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 81 VAL H 81 VAL HB 3.47
&rst
ixpk= 0, nxpk= 0, iat=1250,1254, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 81 VAL H 81 VAL QQG 3.42
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 71 GLY HA2 81 VAL H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1084,1250, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 13 ILE H 56 PHE H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 176, 868, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 PHE H 56 PHE QE 4.72
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 878, 882,
&end
#
# 12 ARG HA 56 PHE H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 154, 868, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 55 GLU HA 56 PHE H 2.86
&rst
ixpk= 0, nxpk= 0, iat= 855, 868, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 11 CYS HB3 56 PHE H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 146, 868, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 56 PHE H 56 PHE HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 12 ARG QG 56 PHE H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 159, 160,
&end
#
# 56 PHE H 56 PHE QD 3.12
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 876, 884,
&end
#
# 56 PHE H 56 PHE HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 868, 873, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 11 CYS HB2 56 PHE H 3.80
&rst
ixpk= 0, nxpk= 0, iat= 145, 868, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 73 ASP H 74 TYR H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 72 TYR QD 73 ASP H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1097,1106,
&end
#
# 72 TYR QE 73 ASP H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1099,1104,
&end
#
# 73 ASP H 78 ARG HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1110,1185, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 72 TYR HA 73 ASP H 2.52
&rst
ixpk= 0, nxpk= 0, iat=1091,1110, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 72 TYR HB3 73 ASP H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1094,1110, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 73 ASP H 78 ARG QD 5.30
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1193,1194,
&end
#
# 72 TYR HB2 73 ASP H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1093,1110, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 73 ASP H 73 ASP HB3 2.87
&rst
ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 73 ASP H 73 ASP HB2 2.87
&rst
ixpk= 0, nxpk= 0, iat=1110,1114, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 73 ASP H 79 LEU QQD 4.86
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 14 TYR QE 15 VAL H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 205, 210,
&end
#
# 14 TYR QD 15 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 203, 212,
&end
#
# 14 TYR HB3 15 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 200, 216, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 15 VAL H 15 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 216, 220, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 15 VAL H 81 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 14 TYR H 15 VAL H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 195, 216, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 40 ILE HB 42 LEU H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 615, 642, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 3 ARG H 3 ARG HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 39, 43, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 2 ILE QG2 3 ARG H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 26, 27, 28,
&end
#
# 41 ASP HA 42 LEU H 2.75
&rst
ixpk= 0, nxpk= 0, iat= 632, 642, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 41 ASP HB3 42 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 635, 642, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 41 ASP HB2 42 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 634, 642, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 42 LEU H 42 LEU QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 646, 647,
&end
#
# 40 ILE QG1 42 LEU H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 621, 622,
&end
#
# 42 LEU H 42 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 642, 649, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 3 ARG H 3 ARG HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 39, 44, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 ARG H 3 ARG QG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 46, 47,
&end
#
# 2 ILE H 2 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 20, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 33, 34, 35,
&end
#
# 2 ILE H 2 ILE HB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 20, 24, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 2 ILE H 2 ILE HG13 4.08
&rst
ixpk= 0, nxpk= 0, iat= 20, 31, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 2 ILE H 2 ILE HG12 4.08
&rst
ixpk= 0, nxpk= 0, iat= 20, 30, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 14 TYR HA 54 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 197, 837, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 54 VAL H 55 GLU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 837, 853, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 53 PHE QD 54 VAL H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 825, 833,
&end
#
# 53 PHE HA 54 VAL H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 819, 837, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 12 ARG HA 54 VAL H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 154, 837, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 13 ILE HB 54 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 VAL H 54 VAL HB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 837, 841, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 13 ILE QG1 54 VAL H 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 186, 187,
&end
#
# 15 VAL QG2 54 VAL H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 226, 227, 228,
&end
#
# 54 VAL H 54 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 847, 848, 849,
&end
#
# 54 VAL H 54 VAL QG1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 843, 844, 845,
&end
#
# 74 TYR H 75 ASP H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1122,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ASP H 77 TYR H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1143,1162, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 74 TYR QD 75 ASP H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1130,1139,
&end
#
# 74 TYR QE 75 ASP H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1132,1137,
&end
#
# 75 ASP H 75 ASP HA 2.74
&rst
ixpk= 0, nxpk= 0, iat=1143,1145, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 74 TYR HB2 75 ASP H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1126,1143, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 75 ASP H 75 ASP HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1143,1148, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 74 TYR HB3 75 ASP H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1127,1143, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 75 ASP H 75 ASP HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 75 ASP H 79 LEU QQD 4.74
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 65 ALA H 68 GLY H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1002,1039, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 64 ASP H 65 ALA H 2.84
&rst
ixpk= 0, nxpk= 0, iat= 990,1002, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 65 ALA H 66 VAL H 2.91
&rst
ixpk= 0, nxpk= 0, iat=1002,1012, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 34 TYR QD 65 ALA H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 526, 535,
&end
#
# 56 PHE QE 65 ALA H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 878, 882,
&end
#
# 34 TYR QE 65 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 528, 533,
&end
#
# 63 GLU HA 65 ALA H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 977,1002, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 65 ALA H 66 VAL HA 5.10
&rst
ixpk= 0, nxpk= 0, iat=1002,1014, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 34 TYR HB3 65 ALA H 3.80
&rst
ixpk= 0, nxpk= 0, iat= 523,1002, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 62 ALA HA 65 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 967,1002, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 ASP HB2 65 ALA H 3.09
&rst
ixpk= 0, nxpk= 0, iat= 994,1002, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 64 ASP HB3 65 ALA H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 995,1002, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 63 GLU QB 65 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 979, 980,
&end
#
# 65 ALA H 66 VAL HB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1002,1016, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 62 ALA QB 65 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 969, 970, 971,
&end
#
# 65 ALA H 65 ALA QB 2.58
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2=1006,1007,1008,
&end
#
# 13 ILE QG2 14 TYR H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 182, 183, 184,
&end
#
# 14 TYR H 82 GLU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 195,1266, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 14 TYR H 83 PHE H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 195,1281, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 13 ILE HA 14 TYR H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 178, 195, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 14 TYR H 82 GLU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 195,1268, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 14 TYR H 84 PRO QG 5.15
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1305,1306,
&end
#
# 13 ILE QG1 14 TYR H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 186, 187,
&end
#
# 14 TYR H 83 PHE QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1289,1297,
&end
#
# 14 TYR H 14 TYR QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 203, 212,
&end
#
# 14 TYR H 81 VAL HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 195,1252, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 TYR H 83 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 TYR H 83 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 TYR H 14 TYR HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 13 ILE HB 14 TYR H 3.15
&rst
ixpk= 0, nxpk= 0, iat= 180, 195, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 13 ILE QD1 14 TYR H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 189, 190, 191,
&end
#
# 37 ILE H 38 ARG H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 556, 575, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 ILE H 57 GLU H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 556, 888, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 37 ILE H 56 PHE QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 878, 882,
&end
#
# 32 SER HA 37 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 487, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 ALA HA 37 ILE H 2.95
&rst
ixpk= 0, nxpk= 0, iat= 548, 556, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 32 SER QB 37 ILE H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 489, 490,
&end
#
# 37 ILE H 37 ILE HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 ILE H 38 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 582, 583,
&end
#
# 37 ILE H 37 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 569, 570, 571,
&end
#
# 14 TYR QE 80 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 205, 210,
&end
#
# 14 TYR H 54 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLY H 80 ARG H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 232,1226, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 79 LEU HA 80 ARG H 2.73
&rst
ixpk= 0, nxpk= 0, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 17 ASN HB2 80 ARG H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 243,1226, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 17 ASN HB3 80 ARG H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 244,1226, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 79 LEU QB 80 ARG H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1211,1212,
&end
#
# 22 ILE HA 23 ARG H 2.71
&rst
ixpk= 0, nxpk= 0, iat= 314, 331, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 23 ARG H 26 ASP HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 331, 396, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 23 ARG H 26 ASP HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 331, 395, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 5 PRO QG 6 ALA H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 74, 75,
&end
#
# 22 ILE QD1 23 ARG H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 325, 326, 327,
&end
#
# 77 TYR H 78 ARG H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1162,1183, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 77 TYR H 77 TYR HB2 2.93
&rst
ixpk= 0, nxpk= 0, iat=1162,1166, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 17 ASN HD21 80 ARG H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 249,1226, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 23 ARG H 26 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 331, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLY H 77 TYR H 2.97
&rst
ixpk= 0, nxpk= 0, iat=1155,1162, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 77 TYR H 77 TYR QD 3.04
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1170,1179,
&end
#
# 74 TYR HB3 77 TYR H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1127,1162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 74 TYR HB2 78 ARG H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1126,1183, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 78 ARG H 79 LEU H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1183,1207, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 77 TYR QD 78 ARG H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1170,1179,
&end
#
# 17 ASN HD21 78 ARG H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 249,1183, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 77 TYR HA 78 ARG H 2.71
&rst
ixpk= 0, nxpk= 0, iat=1164,1183, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 17 ASN HB2 78 ARG H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 243,1183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 77 TYR HB3 78 ARG H 3.60
&rst
ixpk= 0, nxpk= 0, iat=1167,1183, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 77 TYR HB2 78 ARG H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1166,1183, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 17 ASN HB3 78 ARG H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 244,1183, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 78 ARG H 78 ARG HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1183,1188, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 78 ARG H 78 ARG HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1183,1187, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 78 ARG H 78 ARG HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1183,1190, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 72 TYR H 79 LEU H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1089,1207, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 71 GLY H 72 TYR H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 72 TYR H 73 ASP H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1089,1110, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 17 ASN HD21 72 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 249,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 TYR H 80 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1089,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 TYR H 78 ARG HA 4.04
&rst
ixpk= 0, nxpk= 0, iat=1089,1185, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 72 TYR H 72 TYR HB3 3.23
&rst
ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 72 TYR H 72 TYR HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 72 TYR H 79 LEU QQD 3.49
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 71 GLY HA2 72 TYR H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 72 TYR H 79 LEU QB 3.90
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1211,1212,
&end
#
# 39 ASP HB3 40 ILE H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 604, 611, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 40 ILE H 40 ILE HB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 40 ILE H 41 ASP HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 611, 632, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 39 ASP HA 40 ILE H 2.71
&rst
ixpk= 0, nxpk= 0, iat= 601, 611, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 39 ASP HB2 40 ILE H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 603, 611, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 40 ILE H 40 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 624, 625, 626,
&end
#
# 40 ILE H 40 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 617, 618, 619,
&end
#
# 12 ARG H 13 ILE H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 152, 176, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 12 ARG H 56 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 152, 868, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 11 CYS H 12 ARG H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 141, 152, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 12 ARG H 55 GLU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 152, 855, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 10 ASP HA 12 ARG H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 11 CYS HB2 12 ARG H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 11 CYS HB3 12 ARG H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 12 ARG H 12 ARG QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 162, 163,
&end
#
# 12 ARG H 12 ARG HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 12 ARG H 12 ARG HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 12 ARG H 12 ARG QG 3.86
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 159, 160,
&end
#
# 12 ARG H 13 ILE QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 182, 183, 184,
&end
#
# 81 VAL H 82 GLU H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1250,1266, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 14 TYR QD 82 GLU H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 203, 212,
&end
#
# 14 TYR QE 82 GLU H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 205, 210,
&end
#
# 81 VAL HA 82 GLU H 2.93
&rst
ixpk= 0, nxpk= 0, iat=1252,1266, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 80 ARG HA 82 GLU H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1228,1266, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 TYR HA 82 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 197,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 TYR HB3 82 GLU H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 200,1266, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 82 GLU H 82 GLU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1266,1271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 GLU H 82 GLU HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 82 GLU H 82 GLU HG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 82 GLU H 82 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1266,1270, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 VAL QG1 82 GLU H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 222, 223, 224,
&end
#
# 66 VAL QG1 82 GLU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1018,1019,1020,
&end
#
# 15 VAL QG2 82 GLU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 226, 227, 228,
&end
#
# 13 ILE QD1 82 GLU H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 189, 190, 191,
&end
#
# 28 GLU H 40 ILE QG1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 621, 622,
&end
#
# 28 GLU H 29 ASP HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 422, 441, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 25 LYS QG 28 GLU H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 376, 377,
&end
#
# 28 GLU H 32 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLU H 29 ASP H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 422, 437, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 27 ILE H 28 GLU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 403, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 ASP HA 28 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 393, 422, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 25 LYS HA 28 GLU H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 371, 422, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 26 ASP HB3 28 GLU H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 396, 422, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 25 LYS QE 28 GLU H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 382, 383,
&end
#
# 28 GLU H 28 GLU QG 2.72
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 429, 430,
&end
#
# 25 LYS HB3 28 GLU H 5.44
&rst
ixpk= 0, nxpk= 0, iat= 374, 422, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 87 RCYT H6 87 RCYT H2' 2.00
&rst
ixpk= 0, nxpk= 0, iat=1393,1406, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 87 RCYT H6 87 RCYT H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1393,1404, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 RCYT H6 87 RCYT H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1393,1387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 RCYT H6 87 RCYT H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1393,1390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 RCYT H5 87 RCYT H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1395,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 RADE H8 88 RADE H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1424,1421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 RCYT H6 14 TYR QE 3.00
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 205, 210,
&end
#
# 87 RCYT H6 14 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 203, 212,
&end
#
# 87 RCYT H5 14 TYR QE 3.00
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 205, 210,
&end
#
# 87 RCYT H5 14 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 203, 212,
&end
#
# 87 RCYT H5 82 GLU HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1395,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 RCYT H2' 14 TYR QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 205, 210,
&end
#
# 87 RCYT H3' 14 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 205, 210,
&end
#
# 87 RCYT H4' 14 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 205, 210,
&end
#
# 87 RCYT Q5' 14 TYR QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1384,1385,
igr2= 205, 210,
&end
#
# 87 RCYT H1' 51 PHE QE 3.00
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 797, 801,
&end
#
# 87 RCYT H1' 51 PHE QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 795, 803,
&end
#
# 88 RADE H1' 43 LYS QE 2.50
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 674, 675,
&end
#
# 88 RADE H1' 43 LYS QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 671, 672,
&end
#
# 88 RADE H1' 4 GLY HA2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1421, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 RADE H1' 4 GLY HA3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1421, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 RADE H8 51 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 797, 801,
&end
#
# 88 RADE H8 51 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=1424, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 RADE H2 3 ARG QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 49, 50,
&end
#
# 88 RADE H2 3 ARG QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 46, 47,
&end
#
# 88 RADE H2 4 GLY HA2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1433, 65, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 RADE H2 4 GLY HA3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1433, 66, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 RADE H2 12 ARG QD 3.50
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 162, 163,
&end
#
# 88 RADE H2 41 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1433, 634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 RADE H2 41 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1433, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 RADE H2 53 PHE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 825, 833,
&end
#
# 88 RADE H2 53 PHE HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1433, 821, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 RADE H2 53 PHE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1433, 822, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 RADE Q5' 51 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1415,1416,
&end
#
# 88 RADE Q5' 51 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1415,1416,
igr2= 797, 801,
&end
#
# 88 RADE H4' 51 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=1418, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 RADE H4' 51 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 797, 801,
&end
#
# 88 RADE H2' 51 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1439, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 RADE H3' 51 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1437, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE QD 51 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 825, 833,
igr2= 797, 801,
&end
#
# 14 TYR HB2 53 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 825, 833,
&end
#
# 14 TYR QD 51 PHE QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 203, 212,
igr2= 795, 803,
&end
#
# 82 GLU HG3 83 PHE H 4.2
&rst
ixpk= 0, nxpk= 0, iat=1274,1281, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 82 GLU HG3 14 TYR QD 4.2
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 203, 212,
&end
#