NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
574681 |
2mb0   |
19382 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 37 VAL H 38 LEU H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 561, 577, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 38 LEU H 54 VAL HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 577, 849, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 37 VAL HA 38 LEU H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 563, 577, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 38 LEU H 53 PHE HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 577, 831, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 37 VAL HB 38 LEU H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 565, 577, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 37 VAL QG2 38 LEU H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 571, 572, 573,
&end
#
# 75 ASP H 76 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1149,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HB3 75 ASP H 5.36
&rst
ixpk= 0, nxpk= 0, iat=1135,1149, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 74 LEU HG 75 ASP H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1137,1149, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 74 LEU HB2 75 ASP H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1134,1149, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 39 LEU H 39 LEU HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 39 LEU H 40 MET H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 596, 615, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 38 LEU HB2 39 LEU H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 581, 596, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 33 ARG H 34 ILE H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 487, 511, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 34 ILE H 56 PHE QR 5.50
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 885, 893, 887, 891,
&end
#
# 34 ILE H 56 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 511, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLY HA3 34 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG QB 34 ILE H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 491, 492,
&end
#
# 33 ARG HG3 34 ILE H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 495, 511, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 34 ILE H 34 ILE HB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 34 ILE H 34 ILE HG13 3.72
&rst
ixpk= 0, nxpk= 0, iat= 511, 522, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 34 ILE H 34 ILE QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 517, 518, 519,
&end
#
# 34 ILE H 34 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 524, 525, 526,
&end
#
# 34 ILE H 34 ILE HG12 4.36
&rst
ixpk= 0, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 56 PHE H 57 GLU H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 877, 897, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 8 GLY HA3 56 PHE H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 115, 877, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 34 ILE HA 56 PHE H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 513, 877, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 8 GLY HA2 56 PHE H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 114, 877, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 56 PHE H 56 PHE HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 56 PHE H 62 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 877, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE H 56 PHE HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 877, 881, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 10 LEU HG 56 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 VAL QG2 56 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 540, 541, 542,
&end
#
# 54 VAL QG2 56 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 857, 858, 859,
&end
#
# 74 LEU H 77 LYS HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=1130,1170, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 74 LEU H 77 LYS HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat=1130,1173, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 74 LEU H 74 LEU HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1130,1135, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 74 LEU H 77 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1130,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU H 74 LEU HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1130,1134, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 74 LEU H 75 ASP H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1130,1149, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 12 ILE H 51 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ILE H 81 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180,1243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU H 84 ALA H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 141,1289, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 10 LEU H 56 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 141, 877, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 10 LEU H 54 VAL H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 141, 847, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 10 LEU H 56 PHE QR 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 885, 893, 887, 891,
&end
#
# 9 LYS HA 10 LEU H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 121, 141, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 10 LEU H 53 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LYS HE2 10 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU H 10 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 141, 148, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 10 LEU H 10 LEU HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 141, 146, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 9 LYS QD 10 LEU H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 129, 130,
&end
#
# 9 LYS HG2 10 LEU H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 43 ARG H 43 ARG QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 673, 674,
&end
#
# 42 ASP H 43 ARG H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 654, 666, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 43 ARG H 45 THR H 5.44
&rst
ixpk= 0, nxpk= 0, iat= 666, 705, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 42 ASP HA 43 ARG H 3.17
&rst
ixpk= 0, nxpk= 0, iat= 656, 666, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 43 ARG H 43 ARG QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 676, 677,
&end
#
# 43 ARG H 43 ARG QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 670, 671,
&end
#
# 20 ASN H 20 ASN HD21 5.49
&rst
ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 20 ASN H 21 GLU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 289, 303, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 20 ASN H 20 ASN HD22 4.83
&rst
ixpk= 0, nxpk= 0, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 19 THR H 20 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 275, 289, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 20 ASN H 23 ALA HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 289, 342, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 19 THR HA 20 ASN H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 19 THR HB 20 ASN H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 279, 289, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 ASN H 20 ASN HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 20 ASN H 20 ASN HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 19 THR QG2 20 ASN H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 281, 282, 283,
&end
#
# 20 ASN H 39 LEU QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 605, 606, 607,
&end
#
# 20 ASN H 39 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 609, 610, 611,
&end
#
# 37 VAL H 54 VAL HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 561, 849, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 36 GLU HG3 37 VAL H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 554, 561, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 37 VAL H 37 VAL HB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 37 VAL H 38 LEU HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 561, 579, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 40 MET H 53 PHE QD 5.37
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 835, 843,
&end
#
# 39 LEU HB3 40 MET H 5.44
&rst
ixpk= 0, nxpk= 0, iat= 601, 615, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 40 MET H 40 MET HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 615, 620, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 MET H 40 MET HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 615, 619, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 74 LEU H 78 ALA H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1130,1190, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 73 SER HA 78 ALA H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1121,1190, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 77 LYS HA 78 ALA H 2.85
&rst
ixpk= 0, nxpk= 0, iat=1170,1190, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 77 LYS HB3 78 ALA H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1173,1190, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 78 ALA H 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1206,1207,1208,
&end
#
# 38 LEU H 54 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 577, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 VAL H 55 THR H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 847, 863, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 12 ILE H 54 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LYS HA 54 VAL H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 121, 847, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 11 PHE HA 54 VAL H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 162, 847, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 53 PHE HB3 54 VAL H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 832, 847, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 53 PHE HB2 54 VAL H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 831, 847, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 10 LEU HG 54 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU HB3 54 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 146, 847, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 9 LYS HG2 54 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 126, 847, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 12 ILE HG12 54 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 190, 847, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 11 PHE H 54 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 GLU H 4 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 37, 52, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 3 GLU HB3 4 ALA H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 42, 52, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 4 ALA H 86 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 52,1321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 VAL QQG 4 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 1 MET HA 3 GLU H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 6, 37, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 3 GLU H 3 GLU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 37, 42, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 2 VAL QQG 3 GLU H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 3 GLU H 3 GLU HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 37, 41, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 49 ARG H 50 GLY H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 766, 790, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 49 ARG H 51 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 807, 811,
&end
#
# 41 LYS HA 49 ARG H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 634, 766, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 48 SER HA 49 ARG H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 757, 766, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 48 SER HB3 49 ARG H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 760, 766, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 49 ARG H 49 ARG HD3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 766, 777, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 49 ARG H 49 ARG HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 766, 776, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 49 ARG H 49 ARG HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 766, 771, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 49 ARG H 49 ARG HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 766, 774, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 41 LYS HB3 49 ARG H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 637, 766, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 40 MET HB3 49 ARG H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 620, 766, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 49 ARG H 49 ARG HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 39 LEU QD1 49 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 605, 606, 607,
&end
#
# 39 LEU QD2 49 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 609, 610, 611,
&end
#
# 42 ASP H 45 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 711, 712, 713,
&end
#
# 42 ASP H 49 ARG H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 654, 766, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 42 ASP H 46 ASN H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 654, 719, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 42 ASP H 48 SER HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= 654, 757, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 42 ASP H 49 ARG HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 654, 774, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 41 LYS HB3 42 ASP H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 637, 654, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 42 ASP H 49 ARG HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 654, 770, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 80 LYS H 81 VAL H 5.47
&rst
ixpk= 0, nxpk= 0, iat=1219,1241, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 70 ASN H 81 VAL H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1076,1241, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 66 ALA HA 81 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1015,1241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN HB3 81 VAL H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1081,1241, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 81 VAL H 82 GLU HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat=1241,1262, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 81 VAL H 81 VAL HB 3.84
&rst
ixpk= 0, nxpk= 0, iat=1241,1245, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 80 LYS QD 81 VAL H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1229,1230,
&end
#
# 80 LYS HB3 81 VAL H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1224,1241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LYS HB2 81 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1223,1241, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 80 LYS HG3 81 VAL H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1227,1241, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 80 LYS HG2 81 VAL H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1226,1241, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 13 GLY H 80 LYS H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 199,1219, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 70 ASN HA 80 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1078,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLY HA3 80 LYS H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 209,1219, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 14 GLY HA2 80 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 208,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLY HA2 80 LYS H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 201,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 79 ILE HB 80 LYS H 3.41
&rst
ixpk= 0, nxpk= 0, iat=1204,1219, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 80 LYS H 80 LYS HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1219,1223, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 79 ILE QG1 80 LYS H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1210,1211,
&end
#
# 80 LYS H 80 LYS HG2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1219,1226, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 80 LYS H 81 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1251,1252,1253,
&end
#
# 79 ILE QD1 80 LYS H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1213,1214,1215,
&end
#
# 15 LEU HG 80 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 220,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP H 47 LYS HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 654, 737, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 13 GLY H 82 GLU H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 199,1257, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 81 VAL H 82 GLU H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1241,1257, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 10 LEU HA 82 GLU H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 143,1257, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 11 PHE QB 82 GLU H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 164, 165,
&end
#
# 82 GLU H 82 GLU QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1264,1265,
&end
#
# 82 GLU H 82 GLU HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1257,1262, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 10 LEU HB2 82 GLU H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 145,1257, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 81 VAL QG2 82 GLU H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1251,1252,1253,
&end
#
# 21 GLU H 23 ALA H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 303, 340, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 23 ALA H 25 GLU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 340, 369, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 20 ASN H 23 ALA H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 289, 340, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 20 ASN HD21 23 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLU HA 23 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 305, 340, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 20 ASN HB2 23 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 293, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HB3 23 ALA H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 323, 340, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 11 PHE H 53 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 835, 843,
&end
#
# 11 PHE H 82 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE H 84 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1293,1294,1295,
&end
#
# 11 PHE H 82 GLU H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 160,1257, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 PHE H 12 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE H 81 VAL HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 160,1243, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 10 LEU HA 11 PHE H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 143, 160, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 11 PHE H 83 GLN HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 160,1274, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 11 PHE H 11 PHE QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 164, 165,
&end
#
# 10 LEU HG 11 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU HB2 11 PHE H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 145, 160, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 11 PHE H 81 VAL QG1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1247,1248,1249,
&end
#
# 36 GLU HA 55 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU H 55 THR H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 577, 863, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 55 THR H 56 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 VAL HA 55 THR H 3.09
&rst
ixpk= 0, nxpk= 0, iat= 849, 863, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 37 VAL HA 55 THR H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 563, 863, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 55 THR H 55 THR HB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 863, 867, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 36 GLU HG3 55 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 554, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 GLU HB3 55 THR H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 551, 863, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 55 THR H 55 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 869, 870, 871,
&end
#
# 37 VAL QG2 55 THR H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 571, 572, 573,
&end
#
# 35 VAL QG2 55 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 540, 541, 542,
&end
#
# 34 ILE QG2 55 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 517, 518, 519,
&end
#
# 93 ARG QB 94 ARG H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1417,1418,
&end
#
# 20 ASN HA 23 ALA H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 291, 340, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 20 ASN HB3 23 ALA H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 294, 340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 17 THR H 48 SER HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 246, 759, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 16 ASN H 17 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HB3 17 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 237, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HB2 17 THR H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 236, 246, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 17 THR H 18 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 246, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR H 17 THR QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 252, 253, 254,
&end
#
# 35 VAL H 55 THR H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 530, 863, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 35 VAL H 56 PHE HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= 530, 879, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 35 VAL H 55 THR HB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 530, 867, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 35 VAL H 57 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 904, 905,
&end
#
# 35 VAL H 36 GLU HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 530, 551, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 34 ILE HB 35 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 515, 530, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 34 ILE HG13 35 VAL H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 522, 530, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 35 VAL H 55 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 869, 870, 871,
&end
#
# 35 VAL H 54 VAL QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 857, 858, 859,
&end
#
# 34 ILE HG12 35 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 521, 530, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 40 MET H 41 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 632, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 LYS H 48 SER HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 632, 757, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 41 LYS H 41 LYS QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 645, 646,
&end
#
# 40 MET HG2 41 LYS H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 622, 632, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 41 LYS H 41 LYS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 632, 637, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 41 LYS H 41 LYS HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 632, 640, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 41 LYS H 41 LYS HG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 632, 639, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 65 ALA H 66 ALA H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1003,1013, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 63 LYS H 65 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 969,1003, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 64 ASP H 65 ALA H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 991,1003, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 31 TYR QE 65 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 469, 474,
&end
#
# 63 LYS HA 65 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 971,1003, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 65 ALA H 66 ALA HA 5.40
&rst
ixpk= 0, nxpk= 0, iat=1003,1015, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 62 ALA HA 65 ALA H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 961,1003, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 64 ASP HB3 65 ALA H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 996,1003, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 64 ASP HB2 65 ALA H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 995,1003, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 63 LYS QB 65 ALA H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 973, 974,
&end
#
# 62 ALA QB 65 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 963, 964, 965,
&end
#
# 65 ALA H 66 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1017,1018,1019,
&end
#
# 10 LEU QD1 65 ALA H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 150, 151, 152,
&end
#
# 83 GLN H 84 ALA H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1272,1289, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 10 LEU HA 83 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 143,1272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU HA 83 GLN H 3.36
&rst
ixpk= 0, nxpk= 0, iat=1259,1272, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 83 GLN H 83 GLN HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat=1272,1280, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 82 GLU HB3 83 GLN H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1262,1272, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 83 GLN H 83 GLN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1272,1277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 GLN H 83 GLN HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1272,1276, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 81 VAL QG1 83 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1247,1248,1249,
&end
#
# 1 MET Q 2 VAL H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 2, 3, 4,
&end
#
# 1 MET Q 2 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2, 3, 4,
&end
#
# 1 MET Q 1 MET HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 2, 3, 4,
&end
#
# 1 MET Q 1 MET HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 8, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 2, 3, 4,
&end
#
# 1 MET Q 2 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 2, 3, 4,
igr2= 27, 28, 29, 31, 32, 33,
&end
#
# 34 ILE HG12 57 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 521, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU H 58 SER H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 897, 912, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 35 VAL H 57 GLU H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 530, 897, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 56 PHE HA 57 GLU H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 879, 897, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 33 ARG HA 57 GLU H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 489, 897, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 34 ILE HA 57 GLU H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 513, 897, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 56 PHE HB3 57 GLU H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 882, 897, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 33 ARG QD 57 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 497, 498,
&end
#
# 56 PHE HB2 57 GLU H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 881, 897, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 57 GLU H 57 GLU HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 897, 902, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 57 GLU H 57 GLU HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 897, 901, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 55 THR QG2 57 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 869, 870, 871,
&end
#
# 90 GLU H 90 GLU QG 5.25
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1387,1388,
&end
#
# 9 LYS H 10 LEU H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 119, 141, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 9 LYS H 84 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 119,1289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLY H 9 LYS H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 112, 119, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 9 LYS H 83 GLN HE22 4.67
&rst
ixpk= 0, nxpk= 0, iat= 119,1284, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 9 LYS H 83 GLN HE21 4.50
&rst
ixpk= 0, nxpk= 0, iat= 119,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 PRO HA 9 LYS H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 108, 119, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 9 LYS H 83 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 119,1279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LYS H 9 LYS HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 9 LYS H 10 LEU HG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 119, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 9 LYS H 9 LYS HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 119, 123, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 9 LYS H 9 LYS HG3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 9 LYS H 9 LYS HG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 119, 126, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 9 LYS H 10 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 154, 155, 156,
&end
#
# 41 LYS H 49 ARG HG3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 632, 774, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 89 PHE QB 90 GLU H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1364,1365,
&end
#
# 13 GLY H 52 ALA H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 199, 817, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 52 ALA H 53 PHE H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 817, 827, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 13 GLY HA2 52 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 201, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ILE H 52 ALA H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 180, 817, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 40 MET H 52 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 615, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE QE 52 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 170, 174,
&end
#
# 13 GLY HA3 52 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 PHE HB3 52 ALA H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 802, 817, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 25 GLU H 26 ALA H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 369, 384, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 23 ALA HA 26 ALA H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 342, 384, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 GLU QB 26 ALA H 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 373, 374,
&end
#
# 26 ALA H 34 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 524, 525, 526,
&end
#
# 60 ALA H 62 ALA H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 937, 959, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 60 ALA H 61 ASP HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 937, 952, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 71 GLY H 72 LYS H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1090,1097, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 70 ASN H 72 LYS H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1076,1097, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 60 ALA H 61 ASP H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 937, 947, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 58 SER HA 60 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 914, 937, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 LYS H 72 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1110,1111,
&end
#
# 59 PRO HG3 60 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 928, 937, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 72 LYS H 72 LYS HB3 3.15
&rst
ixpk= 0, nxpk= 0, iat=1097,1102, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 72 LYS H 72 LYS HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 72 LYS H 72 LYS HG3 3.77
&rst
ixpk= 0, nxpk= 0, iat=1097,1105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 60 ALA H 60 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 941, 942, 943,
&end
#
# 72 LYS H 72 LYS HG2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1097,1104, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 72 LYS H 78 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1194,1195,1196,
&end
#
# 62 ALA H 64 ASP H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 959, 991, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 62 ALA HA 64 ASP H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 961, 991, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 64 ASP H 64 ASP HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat= 991, 996, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 64 ASP H 65 ALA HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 991,1005, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 63 LYS QB 64 ASP H 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 973, 974,
&end
#
# 63 LYS QD 64 ASP H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 979, 980,
&end
#
# 63 LYS HG3 64 ASP H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 977, 991, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 62 ALA QB 64 ASP H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 963, 964, 965,
&end
#
# 64 ASP H 65 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1007,1008,1009,
&end
#
# 10 LEU QD1 64 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 150, 151, 152,
&end
#
# 16 ASN H 75 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN H 75 ASP HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 232,1153, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 16 ASN H 19 THR H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 232, 275, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 16 ASN H 16 ASN HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 16 ASN H 16 ASN HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 16 ASN H 77 LYS HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 232,1173, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 16 ASN H 77 LYS HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 232,1172, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 15 LEU HB3 16 ASN H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 218, 232, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 15 LEU HB2 16 ASN H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 217, 232, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 5 ASP H 86 LYS H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 62,1313, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 85 THR HB 86 LYS H 3.36
&rst
ixpk= 0, nxpk= 0, iat=1303,1313, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 86 LYS H 87 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1313,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 LYS H 86 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1326,1327,
&end
#
# 5 ASP HB3 86 LYS H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 67,1313, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 5 ASP HB2 86 LYS H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 66,1313, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 86 LYS H 86 LYS HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat=1313,1318, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 86 LYS H 86 LYS HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 4 ALA QB 86 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 56, 57, 58,
&end
#
# 86 LYS H 86 LYS HG3 4.07
&rst
ixpk= 0, nxpk= 0, iat=1313,1321, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 2 VAL H 3 GLU H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 21, 37, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 2 VAL H 2 VAL HB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 21, 25, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 2 VAL H 2 VAL QQG 3.58
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 27, 28, 29, 31, 32, 33,
&end
#
# 2 VAL H 3 GLU HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 21, 39, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 1 MET HG2 2 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 11, 21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 SER H 60 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 912, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 SER QB 93 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1399,1400,
&end
#
# 93 ARG H 93 ARG QG 4.84
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1420,1421,
&end
#
# 87 PRO QG 89 PHE H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1339,1340,
&end
#
# 58 SER H 61 ASP H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 912, 947, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 61 ASP H 64 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASP H 62 ALA H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 947, 959, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 58 SER HA 61 ASP H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 914, 947, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 32 GLY HA3 61 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 SER QB 61 ASP H 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 916, 917,
&end
#
# 56 PHE HB3 61 ASP H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 882, 947, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 61 ASP H 62 ALA HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 947, 961, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 61 ASP H 61 ASP HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 947, 952, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 61 ASP H 61 ASP HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 947, 951, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 61 ASP H 63 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 973, 974,
&end
#
# 61 ASP H 62 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 963, 964, 965,
&end
#
# 60 ALA QB 61 ASP H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 941, 942, 943,
&end
#
# 74 LEU H 77 LYS H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1130,1168, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 77 LYS H 78 ALA H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1168,1190, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 74 LEU HA 77 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1132,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ASP HA 77 LYS H 5.45
&rst
ixpk= 0, nxpk= 0, iat=1151,1168, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 16 ASN HB3 77 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 237,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LYS H 77 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1181,1182,
&end
#
# 75 ASP HB3 77 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HB2 77 LYS H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 236,1168, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 75 ASP HB2 77 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LYS H 77 LYS HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat=1168,1173, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 77 LYS H 77 LYS HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 77 LYS H 77 LYS HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1168,1175, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 77 LYS H 79 ILE QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1206,1207,1208,
&end
#
# 75 ASP H 77 LYS H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1149,1168, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 74 LEU HB2 77 LYS H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1134,1168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 22 LYS HA 25 GLU H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 320, 369, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 25 GLU H 25 GLU QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 373, 374,
&end
#
# 24 LEU HB3 25 GLU H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 24 LEU HG 25 GLU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 357, 369, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 25 GLU H 26 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 388, 389, 390,
&end
#
# 24 LEU HB2 25 GLU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 354, 369, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 25 GLU H 37 VAL QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 571, 572, 573,
&end
#
# 25 GLU H 37 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 567, 568, 569,
&end
#
# 24 LEU QD1 25 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 359, 360, 361,
&end
#
# 25 GLU H 34 ILE QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 524, 525, 526,
&end
#
# 4 ALA H 5 ASP H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 52, 62, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 5 ASP H 83 GLN HE22 4.59
&rst
ixpk= 0, nxpk= 0, iat= 62,1284, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 5 ASP H 83 GLN HE21 4.91
&rst
ixpk= 0, nxpk= 0, iat= 62,1285, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 3 GLU HA 5 ASP H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 39, 62, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 4 ALA HA 5 ASP H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 54, 62, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 5 ASP H 5 ASP HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 62, 67, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 5 ASP H 5 ASP HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 62, 66, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 4 ALA QB 5 ASP H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 56, 57, 58,
&end
#
# 5 ASP H 86 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 62,1321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU H 79 ILE H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1130,1200, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 79 ILE H 80 LYS H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1200,1219, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 72 LYS H 79 ILE H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1097,1200, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 71 GLY HA2 79 ILE H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1092,1200, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 72 LYS HB3 79 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1102,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE H 79 ILE QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1210,1211,
&end
#
# 78 ALA QB 79 ILE H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1194,1195,1196,
&end
#
# 79 ILE H 81 VAL QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1251,1252,1253,
&end
#
# 79 ILE H 79 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1213,1214,1215,
&end
#
# 58 SER H 62 ALA H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 912, 959, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 62 ALA H 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1007,1008,1009,
&end
#
# 59 PRO HA 62 ALA H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 933, 959, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 62 ALA H 63 LYS HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 959, 971, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 8 GLY HA2 62 ALA H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 114, 959, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 56 PHE HB3 62 ALA H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 882, 959, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 61 ASP HB3 62 ALA H 3.71
&rst
ixpk= 0, nxpk= 0, iat= 952, 959, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 61 ASP HB2 62 ALA H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 62 ALA H 63 LYS QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 973, 974,
&end
#
# 62 ALA H 63 LYS HG3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 959, 977, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 10 LEU QD1 62 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 150, 151, 152,
&end
#
# 10 LEU QD2 62 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
&end
#
# 17 THR H 19 THR H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 246, 275, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 18 GLU H 19 THR H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 260, 275, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 16 ASN HA 19 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 234, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR HB 19 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 THR H 19 THR HB 3.09
&rst
ixpk= 0, nxpk= 0, iat= 275, 279, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 17 THR HA 19 THR H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 248, 275, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 16 ASN HB3 19 THR H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 237, 275, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 19 THR H 75 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HB2 19 THR H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 236, 275, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 18 GLU HG3 19 THR H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 268, 275, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 18 GLU HB2 19 THR H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 264, 275, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 15 LEU HB3 19 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 THR H 19 THR QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 281, 282, 283,
&end
#
# 15 LEU QD2 19 THR H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 226, 227, 228,
&end
#
# 63 LYS H 66 ALA H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 969,1013, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 64 ASP H 66 ALA H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 991,1013, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 21 GLU H 22 LYS H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 303, 318, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 22 LYS H 25 GLU H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 318, 369, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 20 ASN H 22 LYS H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 289, 318, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 ASN HD21 22 LYS H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 299, 318, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 20 ASN HA 22 LYS H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 291, 318, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 22 LYS H 23 ALA HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 318, 342, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 21 GLU HG3 22 LYS H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 311, 318, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 22 LYS H 22 LYS HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 22 LYS H 22 LYS QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 328, 329,
&end
#
# 22 LYS H 37 VAL QG1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 567, 568, 569,
&end
#
# 22 LYS H 24 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 359, 360, 361,
&end
#
# 36 GLU H 55 THR H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 546, 863, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 35 VAL H 36 GLU H 3.09
&rst
ixpk= 0, nxpk= 0, iat= 530, 546, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 36 GLU H 37 VAL H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 546, 561, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 36 GLU H 55 THR HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 546, 865, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 36 GLU H 56 PHE HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 546, 879, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 36 GLU H 55 THR HB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 546, 867, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 36 GLU H 36 GLU HG3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 546, 554, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 36 GLU H 36 GLU HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 36 GLU H 36 GLU HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 546, 550, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 36 GLU H 37 VAL QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 571, 572, 573,
&end
#
# 36 GLU H 54 VAL QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 857, 858, 859,
&end
#
# 34 ILE HG12 36 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 521, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ALA H 67 ARG H 3.06
&rst
ixpk= 0, nxpk= 0, iat=1013,1023, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 66 ALA H 67 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS HA 66 ALA H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 971,1013, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 64 ASP HB3 66 ALA H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 996,1013, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 10 LEU QD1 66 ALA H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 150, 151, 152,
&end
#
# 21 GLU H 24 LEU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 303, 350, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 20 ASN HD21 21 GLU H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 21 GLU H 22 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HB3 21 GLU H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 GLU H 21 GLU HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 16 ASN HB2 18 GLU H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 236, 260, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 GLU H 19 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 281, 282, 283,
&end
#
# 16 ASN H 18 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR H 18 GLU H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 246, 260, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 16 ASN HD22 18 GLU H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 241, 260, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 16 ASN HD21 18 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 ASN HA 18 GLU H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 234, 260, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 17 THR HB 18 GLU H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 250, 260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 18 GLU H 19 THR HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 260, 277, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 18 GLU H 19 THR HB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 260, 279, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 16 ASN HB3 18 GLU H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 237, 260, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 18 GLU H 18 GLU HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 260, 268, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 GLU H 18 GLU HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 260, 264, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 17 THR QG2 18 GLU H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 252, 253, 254,
&end
#
# 42 ASP H 47 LYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 654, 733, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 41 LYS HA 47 LYS H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 634, 733, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 46 ASN HB3 47 LYS H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 724, 733, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 42 ASP HB3 47 LYS H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 659, 733, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 46 ASN HB2 47 LYS H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 723, 733, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 42 ASP HB2 47 LYS H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 658, 733, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 47 LYS H 47 LYS HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 733, 738, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 47 LYS H 47 LYS HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 733, 737, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 47 LYS H 47 LYS HG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 733, 740, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 45 THR QG2 47 LYS H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 711, 712, 713,
&end
#
# 43 ARG QD 44 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 676, 677,
&end
#
# 43 ARG H 44 GLU H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 666, 690, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 44 GLU H 45 THR H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 690, 705, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 44 GLU H 47 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, 733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP HA 44 GLU H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 656, 690, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 42 ASP HB3 44 GLU H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 659, 690, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 42 ASP HB2 44 GLU H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 658, 690, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 44 GLU H 44 GLU QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 697, 698,
&end
#
# 44 GLU H 44 GLU QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 694, 695,
&end
#
# 43 ARG QG 44 GLU H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 673, 674,
&end
#
# 44 GLU H 45 THR QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 711, 712, 713,
&end
#
# 44 GLU H 46 ASN H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 690, 719, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 45 THR H 46 ASN H 3.10
&rst
ixpk= 0, nxpk= 0, iat= 705, 719, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 46 ASN H 47 LYS H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 719, 733, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 42 ASP HA 46 ASN H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 656, 719, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 46 ASN H 46 ASN HA 2.89
&rst
ixpk= 0, nxpk= 0, iat= 719, 721, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 43 ARG HA 46 ASN H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 668, 719, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 46 ASN H 46 ASN HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 719, 724, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 42 ASP HB3 46 ASN H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 659, 719, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 46 ASN H 46 ASN HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 719, 723, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 42 ASP HB2 46 ASN H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 658, 719, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 44 GLU QB 46 ASN H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 694, 695,
&end
#
# 46 ASN H 47 LYS HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 719, 737, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 46 ASN H 47 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 719, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 THR QG2 46 ASN H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 711, 712, 713,
&end
#
# 56 PHE QR 63 LYS H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 885, 893, 887, 891,
&end
#
# 61 ASP HA 63 LYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 949, 969, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 LYS H 64 ASP HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 969, 996, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 60 ALA QB 63 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 941, 942, 943,
&end
#
# 63 LYS H 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1007,1008,1009,
&end
#
# 29 GLY H 30 LYS H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 430, 437, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 30 LYS H 31 TYR H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 437, 459, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 30 LYS H 31 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 474,
&end
#
# 30 LYS H 31 TYR HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 437, 461, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 27 VAL HA 30 LYS H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 396, 437, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 30 LYS H 31 TYR HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 437, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 LYS H 30 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 450, 451,
&end
#
# 30 LYS H 30 LYS HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 30 LYS H 30 LYS HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 437, 445, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 30 LYS H 30 LYS HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 437, 444, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 88 SER H 89 PHE H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1349,1360, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 63 LYS H 64 ASP H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 969, 991, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 61 ASP H 63 LYS H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 947, 969, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 62 ALA H 63 LYS H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 959, 969, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 60 ALA HA 63 LYS H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 939, 969, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 63 LYS H 63 LYS QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 973, 974,
&end
#
# 63 LYS H 63 LYS HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 969, 977, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 10 LEU QD1 63 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 150, 151, 152,
&end
#
# 10 LEU QD2 63 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
&end
#
# 71 GLY H 81 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1090,1241, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 71 GLY H 79 ILE H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1090,1200, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 70 ASN HB3 71 GLY H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1081,1090, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 71 GLY H 81 VAL HB 5.42
&rst
ixpk= 0, nxpk= 0, iat=1090,1245, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 71 GLY H 79 ILE QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1210,1211,
&end
#
# 71 GLY H 78 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1194,1195,1196,
&end
#
# 71 GLY H 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 33 ARG H 58 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG H 56 PHE QR 4.89
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 885, 893, 887, 891,
&end
#
# 32 GLY HA3 33 ARG H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 32 GLY HA2 33 ARG H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 482, 487, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 33 ARG H 61 ASP HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 487, 952, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 ARG H 61 ASP HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 487, 951, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 33 ARG H 57 GLU HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 487, 902, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 33 ARG H 33 ARG QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 491, 492,
&end
#
# 33 ARG H 33 ARG HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 33 ARG H 33 ARG HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 90 GLU QG 91 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1387,1388,
&end
#
# 90 GLU HB3 91 SER H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1385,1395, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 90 GLU HB2 91 SER H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1384,1395, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 94 ARG H 95 GLY H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1437,1461, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 64 ASP H 67 ARG H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 991,1023, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 31 TYR QE 68 ASP H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 469, 474,
&end
#
# 68 ASP H 68 ASP HB3 3.10
&rst
ixpk= 0, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 68 ASP H 69 MET QG 5.13
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1066,1067,
&end
#
# 65 ALA HA 68 ASP H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1005,1047, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 68 ASP H 69 MET HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat=1047,1064, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 67 ARG H 67 ARG QB 2.69
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2=1027,1028,
&end
#
# 67 ARG H 67 ARG HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1023,1031, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 67 ARG H 67 ARG HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1023,1030, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 65 ALA QB 67 ARG H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1007,1008,1009,
&end
#
# 10 LEU QD2 67 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
&end
#
# 68 ASP H 69 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN H 71 GLY H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1076,1090, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 70 ASN H 70 ASN HD21 5.10
&rst
ixpk= 0, nxpk= 0, iat=1076,1086, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 68 ASP HA 70 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HA 70 ASN H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1025,1076, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 66 ALA HA 70 ASN H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1015,1076, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 68 ASP HB3 70 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ASP HB2 70 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1051,1076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 MET QG 70 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1066,1067,
&end
#
# 69 MET HB3 70 ASN H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1064,1076, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 70 ASN H 81 VAL HB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1076,1245, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 69 MET QE 70 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1070,1071,1072,
&end
#
# 66 ALA QB 70 ASN H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1017,1018,1019,
&end
#
# 70 ASN H 81 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1251,1252,1253,
&end
#
# 70 ASN H 81 VAL QG1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1247,1248,1249,
&end
#
# 70 ASN H 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 39 LEU QD1 48 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 605, 606, 607,
&end
#
# 48 SER H 49 ARG H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 755, 766, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 47 LYS H 48 SER H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 733, 755, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 41 LYS HA 48 SER H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 634, 755, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 47 LYS HA 48 SER H 3.15
&rst
ixpk= 0, nxpk= 0, iat= 735, 755, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 48 SER H 48 SER HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 48 SER H 48 SER HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 17 THR HA 48 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 248, 755, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 47 LYS HB3 48 SER H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 738, 755, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 47 LYS QD 48 SER H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 743, 744,
&end
#
# 41 LYS HD3 48 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 643, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LYS HG2 48 SER H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 740, 755, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 41 LYS HG2 48 SER H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 639, 755, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 24 LEU H 25 GLU H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 350, 369, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 23 ALA H 24 LEU H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 340, 350, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 20 ASN HA 24 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 291, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU H 25 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 350, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU H 25 GLU QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 373, 374,
&end
#
# 24 LEU H 24 LEU HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= 350, 355, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 24 LEU H 24 LEU HG 3.29
&rst
ixpk= 0, nxpk= 0, iat= 350, 357, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 24 LEU H 24 LEU HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 350, 354, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 24 LEU H 24 LEU QD2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 363, 364, 365,
&end
#
# 27 VAL H 28 PHE H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 394, 410, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 27 VAL H 29 GLY H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ALA H 27 VAL H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 384, 394, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 27 VAL H 28 PHE QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 418, 426,
&end
#
# 27 VAL H 30 LYS H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 394, 437, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 23 ALA HA 27 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 342, 394, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 27 VAL H 28 PHE HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 394, 414, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 25 GLU QB 27 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 373, 374,
&end
#
# 27 VAL H 74 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1143,1144,1145,
&end
#
# 27 VAL H 74 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1139,1140,1141,
&end
#
# 27 VAL H 34 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 524, 525, 526,
&end
#
# 27 VAL H 28 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 TYR H 32 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HA 31 TYR H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 412, 459, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 31 TYR H 32 GLY HA2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 459, 482, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 31 TYR H 31 TYR HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 LYS HB3 31 TYR H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 30 LYS HB2 31 TYR H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 441, 459, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 31 TYR H 65 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1007,1008,1009,
&end
#
# 30 LYS HG2 31 TYR H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 444, 459, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 31 TYR H 34 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= 524, 525, 526,
&end
#
# 4 ALA HA 83 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 54,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 GLN HE22 84 ALA H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1284,1289, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 5 ASP HA 83 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 64,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 GLN HB2 83 GLN HE22 5.26
&rst
ixpk= 0, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 31 TYR H 31 TYR QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 469, 474,
&end
#
# 29 GLY HA3 31 TYR H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 433, 459, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 83 GLN HE21 84 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1285,1289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 PRO HA 83 GLN HE21 5.47
&rst
ixpk= 0, nxpk= 0, iat= 108,1285, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 83 GLN HB2 83 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE H 29 GLY H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 410, 430, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 26 ALA H 28 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 384, 410, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 PHE H 31 TYR QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 467, 476,
&end
#
# 28 PHE H 30 LYS H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 410, 437, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 28 PHE H 31 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 474,
&end
#
# 28 PHE H 29 GLY HA3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 410, 433, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 24 LEU HA 28 PHE H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 352, 410, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 25 GLU HA 28 PHE H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 371, 410, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 28 PHE H 28 PHE HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 28 PHE H 28 PHE HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 27 VAL HB 28 PHE H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 398, 410, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 26 ALA QB 28 PHE H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 388, 389, 390,
&end
#
# 28 PHE H 34 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 524, 525, 526,
&end
#
# 15 LEU H 16 ASN H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 213, 232, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 15 LEU H 51 PHE HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 213, 799, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 15 LEU H 79 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLY HA2 15 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 15 LEU H 50 GLY HA2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 213, 792, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 15 LEU H 15 LEU HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 15 LEU H 15 LEU HG 3.41
&rst
ixpk= 0, nxpk= 0, iat= 213, 220, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 15 LEU H 15 LEU HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 15 LEU H 79 ILE QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1206,1207,1208,
&end
#
# 15 LEU H 15 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 226, 227, 228,
&end
#
# 12 ILE QG2 15 LEU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 186, 187, 188,
&end
#
# 15 LEU H 15 LEU QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 222, 223, 224,
&end
#
# 70 ASN HD22 81 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1085,1241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN HA 70 ASN HD22 5.47
&rst
ixpk= 0, nxpk= 0, iat=1078,1085, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 70 ASN HB2 70 ASN HD22 3.77
&rst
ixpk= 0, nxpk= 0, iat=1080,1085, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 70 ASN HD22 81 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1085,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN HD21 81 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1086,1241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN HA 70 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1078,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN HB2 70 ASN HD21 4.06
&rst
ixpk= 0, nxpk= 0, iat=1080,1086, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 70 ASN HD21 81 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1086,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU H 53 PHE H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 577, 827, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 40 MET H 53 PHE H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 615, 827, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 39 LEU HA 53 PHE H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 598, 827, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 53 PHE H 53 PHE HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 40 MET HG2 53 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 622, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU HB2 53 PHE H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 581, 827, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 39 LEU QD2 53 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 609, 610, 611,
&end
#
# 53 PHE H 54 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 853, 854, 855,
&end
#
# 16 ASN H 16 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HD22 77 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 241,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HA 16 ASN HD22 5.07
&rst
ixpk= 0, nxpk= 0, iat= 234, 241, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 16 ASN HD22 75 ASP HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 241,1151, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 16 ASN HD22 77 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1181,1182,
&end
#
# 16 ASN HD22 75 ASP HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 241,1154, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 16 ASN HB2 16 ASN HD22 3.91
&rst
ixpk= 0, nxpk= 0, iat= 236, 241, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 16 ASN HD22 75 ASP HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 241,1153, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 ASN HD22 18 GLU HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 241, 264, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 16 ASN HD22 77 LYS HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 241,1175, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 16 ASN HA 16 ASN HD21 5.31
&rst
ixpk= 0, nxpk= 0, iat= 234, 242, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 16 ASN HD21 75 ASP HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 242,1154, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 16 ASN HD21 75 ASP HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 242,1153, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 16 ASN HD21 18 GLU HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 242, 264, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 16 ASN HD21 77 LYS HG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 242,1175, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 73 SER H 74 LEU H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1119,1130, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 73 SER H 79 ILE H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1119,1200, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 72 LYS H 73 SER H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1097,1119, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 73 SER H 78 ALA HA 4.53
&rst
ixpk= 0, nxpk= 0, iat=1119,1192, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 73 SER H 73 SER QB 3.22
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1123,1124,
&end
#
# 72 LYS HB2 73 SER H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1101,1119, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 73 SER H 79 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 72 LYS HG2 73 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1104,1119, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 35 VAL QG2 58 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 540, 541, 542,
&end
#
# 56 PHE QR 58 SER H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 885, 893, 887, 891,
&end
#
# 56 PHE HA 58 SER H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 879, 912, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 58 SER H 58 SER QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 916, 917,
&end
#
# 56 PHE HB3 58 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 882, 912, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 SER H 61 ASP HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 912, 952, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 58 SER H 61 ASP HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 912, 951, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 57 GLU HB3 58 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 902, 912, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 57 GLU HB2 58 SER H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 901, 912, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 58 SER H 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 963, 964, 965,
&end
#
# 46 ASN HA 46 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 721, 728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLY H 51 PHE H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 790, 797, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 49 ARG H 51 PHE H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 766, 797, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 51 PHE H 52 ALA H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 797, 817, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 40 MET H 51 PHE H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 615, 797, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 51 PHE H 51 PHE QE 5.38
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 807, 811,
&end
#
# 51 PHE H 52 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 797, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ARG HB3 51 PHE H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 771, 797, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 40 MET HB3 51 PHE H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 620, 797, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 49 ARG HB2 51 PHE H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 770, 797, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 51 PHE H 52 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 821, 822, 823,
&end
#
# 39 LEU QD2 51 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 609, 610, 611,
&end
#
# 15 LEU QD1 51 PHE H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 222, 223, 224,
&end
#
# 68 ASP H 69 MET H 3.20
&rst
ixpk= 0, nxpk= 0, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 69 MET H 70 ASN H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1059,1076, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 69 MET H 70 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HA 69 MET H 5.24
&rst
ixpk= 0, nxpk= 0, iat=1025,1059, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 66 ALA HA 69 MET H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1015,1059, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 69 MET H 70 ASN HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1059,1081, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 69 MET H 70 ASN HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1059,1080, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 68 ASP HB3 69 MET H 3.95
&rst
ixpk= 0, nxpk= 0, iat=1052,1059, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 68 ASP HB2 69 MET H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1051,1059, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 69 MET H 69 MET QG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1066,1067,
&end
#
# 65 ALA HA 69 MET H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1005,1059, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 69 MET H 69 MET HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat=1059,1064, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 69 MET H 69 MET HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1059,1063, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 66 ALA QB 69 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1017,1018,1019,
&end
#
# 69 MET H 81 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1251,1252,1253,
&end
#
# 69 MET H 81 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1247,1248,1249,
&end
#
# 69 MET H 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 20 ASN HD22 21 GLU H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 298, 303, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 20 ASN HD22 23 ALA H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 298, 340, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 20 ASN HA 20 ASN HD22 5.09
&rst
ixpk= 0, nxpk= 0, iat= 291, 298, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 20 ASN HB2 20 ASN HD22 4.06
&rst
ixpk= 0, nxpk= 0, iat= 293, 298, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 20 ASN HD22 22 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HA 20 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HD21 22 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HD21 22 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLY H 80 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199,1221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ILE HA 13 GLY H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 182, 199, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 13 GLY H 79 ILE HB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 199,1204, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 13 GLY H 80 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1229,1230,
&end
#
# 12 ILE HB 13 GLY H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 13 GLY H 81 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1251,1252,1253,
&end
#
# 13 GLY H 14 GLY H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 199, 206, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 12 ILE H 13 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE QD 13 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 176,
&end
#
# 13 GLY H 81 VAL HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 199,1243, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 13 GLY H 80 LYS HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 199,1223, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 13 GLY H 79 ILE QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1206,1207,1208,
&end
#
# 92 GLY H 93 ARG H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1406,1413, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 91 SER QB 92 GLY H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1399,1400,
&end
#
# 8 GLY H 83 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 112,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLY H 83 GLN HE21 5.46
&rst
ixpk= 0, nxpk= 0, iat= 112,1285, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 8 GLY H 9 LYS HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 112, 124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 GLY H 10 LEU HG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 112, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 8 GLY H 9 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 112, 123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLY H 62 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 963, 964, 965,
&end
#
# 26 ALA H 29 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 384, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLY H 31 TYR H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 430, 459, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 PHE QD 29 GLY H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 418, 426,
&end
#
# 29 GLY H 31 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 467, 476,
&end
#
# 27 VAL HA 29 GLY H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 396, 430, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 25 GLU HA 29 GLY H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 371, 430, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 28 PHE HB3 29 GLY H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 415, 430, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 28 PHE HB2 29 GLY H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 27 VAL HB 29 GLY H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 398, 430, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 29 GLY H 34 ILE HG13 4.45
&rst
ixpk= 0, nxpk= 0, iat= 430, 522, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 29 GLY H 30 LYS HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 430, 441, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 27 VAL QG1 29 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 400, 401, 402,
&end
#
# 27 VAL QG2 29 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 404, 405, 406,
&end
#
# 29 GLY H 34 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 524, 525, 526,
&end
#
# 29 GLY H 34 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 430, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG HA 45 THR H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 668, 705, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 42 ASP HB3 45 THR H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 659, 705, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 45 THR H 46 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP HB2 45 THR H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 658, 705, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 44 GLU QB 45 THR H 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 694, 695,
&end
#
# 43 ARG QB 45 THR H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 670, 671,
&end
#
# 14 GLY H 15 LEU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLY H 51 PHE HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 206, 799, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 GLY H 51 PHE HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 206, 802, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 14 GLY H 51 PHE HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 206, 801, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 14 GLY H 15 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLY H 15 LEU HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 206, 217, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 14 GLY H 15 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 226, 227, 228,
&end
#
# 11 PHE HZ 14 GLY H 5.47
&rst
ixpk= 0, nxpk= 0, iat= 172, 206, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 11 PHE QE 14 GLY H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 170, 174,
&end
#
# 14 GLY H 15 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 222, 223, 224,
&end
#
# 50 GLY H 51 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 805, 813,
&end
#
# 41 LYS HA 50 GLY H 5.47
&rst
ixpk= 0, nxpk= 0, iat= 634, 790, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 48 SER HA 50 GLY H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 757, 790, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 17 THR HA 50 GLY H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 248, 790, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 39 LEU QD2 50 GLY H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 609, 610, 611,
&end
#
# 49 ARG HG3 50 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LEU H 50 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 SER HB2 50 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 759, 790, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 49 ARG HB3 50 GLY H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 771, 790, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 41 LYS HB3 50 GLY H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 637, 790, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 17 THR QG2 50 GLY H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 252, 253, 254,
&end
#
# 49 ARG HB2 50 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 770, 790, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 15 LEU QD1 50 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 29 GLY H 32 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 430, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLY H 33 ARG H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 31 TYR H 32 GLY H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 459, 480, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 31 TYR QD 32 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 467, 476,
&end
#
# 32 GLY H 56 PHE QR 4.03
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 885, 893, 887, 891,
&end
#
# 30 LYS H 32 GLY H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 437, 480, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 29 GLY HA3 32 GLY H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 433, 480, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 30 LYS HA 32 GLY H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 439, 480, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 31 TYR HB3 32 GLY H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 464, 480, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 31 TYR HB2 32 GLY H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 463, 480, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 GLY H 61 ASP HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 480, 951, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 30 LYS HB2 32 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLY H 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1007,1008,1009,
&end
#
# 32 GLY H 34 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 524, 525, 526,
&end
#
# 75 ASP H 76 GLY H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1149,1161, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 74 LEU H 76 GLY H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1130,1161, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 76 GLY H 77 LYS H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1161,1168, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 73 SER HA 76 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1121,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLY H 77 LYS HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1161,1170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 74 LEU HA 76 GLY H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1132,1161, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 75 ASP HA 76 GLY H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 ASP HB3 76 GLY H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1154,1161, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 75 ASP HB2 76 GLY H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1153,1161, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 76 GLY H 77 LYS HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1161,1172, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 74 LEU QD2 76 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1143,1144,1145,
&end
#
# 45 THR HB 46 ASN H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 709, 719, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 45 THR HB 47 LYS H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 709, 733, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 45 THR HB 47 LYS HG3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 709, 741, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 45 THR HB 47 LYS HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 709, 740, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 5 ASP H 85 THR HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 62,1303, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 36 GLU HG3 55 THR HB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 554, 867, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 36 GLU HB3 55 THR HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 551, 867, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 35 VAL QG1 55 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 536, 537, 538,
&end
#
# 35 VAL QG2 55 THR HB 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 540, 541, 542,
&end
#
# 17 THR HB 47 LYS QD 5.40
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 743, 744,
&end
#
# 15 LEU HB3 19 THR HB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 218, 279, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 17 THR HB 48 SER HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 250, 759, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 17 THR HB 47 LYS HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 250, 740, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 15 LEU QD2 19 THR HB 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 226, 227, 228,
&end
#
# 15 LEU QD1 19 THR HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 222, 223, 224,
&end
#
# 16 ASN HA 17 THR HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 234, 248, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 17 THR HA 48 SER HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 248, 760, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 17 THR HA 17 THR QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 252, 253, 254,
&end
#
# 7 PRO HA 59 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 933, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA H 27 VAL HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 384, 396, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 27 VAL HA 30 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 450, 451,
&end
#
# 26 ALA QB 27 VAL HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 388, 389, 390,
&end
#
# 27 VAL HA 28 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 418, 426,
&end
#
# 17 THR HA 50 GLY HA2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 248, 792, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 8 GLY H 59 PRO HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 112, 933, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 59 PRO HA 63 LYS H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 933, 969, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 8 GLY HA2 59 PRO HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= 114, 933, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 27 VAL HA 74 LEU QD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1143,1144,1145,
&end
#
# 27 VAL HA 74 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1139,1140,1141,
&end
#
# 39 LEU QD2 48 SER HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 609, 610, 611,
&end
#
# 19 THR HA 23 ALA H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 277, 340, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 39 LEU QD1 48 SER HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 605, 606, 607,
&end
#
# 57 GLU H 58 SER QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 916, 917,
&end
#
# 57 GLU HB3 58 SER QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 916, 917,
&end
#
# 57 GLU HB2 58 SER QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 916, 917,
&end
#
# 58 SER QB 60 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 916, 917,
igr2= 941, 942, 943,
&end
#
# 56 PHE HB3 58 SER QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 916, 917,
&end
#
# 48 SER HB2 49 ARG H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 47 LYS HB3 48 SER HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 738, 759, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 17 THR QG2 48 SER HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 252, 253, 254,
&end
#
# 39 LEU QD1 48 SER HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 605, 606, 607,
&end
#
# 73 SER HB3 77 LYS H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1124,1168, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 73 SER HB2 78 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1123,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 SER HB2 77 LYS H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1123,1168, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 73 SER HB2 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1206,1207,1208,
&end
#
# 56 PHE QR 58 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 885, 893, 887, 891,
igr2= 916, 917,
&end
#
# 58 SER QB 62 ALA H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 916, 917,
&end
#
# 58 SER QB 61 ASP HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 916, 917,
&end
#
# 41 LYS HA 48 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 634, 759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LYS QD 48 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 743, 744,
&end
#
# 73 SER HB3 74 LEU H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1124,1130, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 73 SER H 73 SER HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat=1119,1124, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 73 SER HB3 78 ALA HA 4.45
&rst
ixpk= 0, nxpk= 0, iat=1124,1192, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 72 LYS HA 73 SER HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat=1099,1124, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 73 SER HB3 78 ALA QB 5.01
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1194,1195,1196,
&end
#
# 73 SER HB2 77 LYS HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1123,1170, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 73 SER HB2 74 LEU H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1123,1130, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 73 SER HB2 76 GLY H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1123,1161, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 73 SER H 73 SER HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 72 LYS HA 73 SER HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1099,1123, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 7 PRO HA 8 GLY H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 108, 112, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 90 GLU QG 91 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1387,1388,
&end
#
# 90 GLU HA 91 SER HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1382,1399, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 87 PRO HA 88 SER H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1345,1349, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 28 PHE HA 31 TYR QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 469, 474,
&end
#
# 28 PHE HA 30 LYS H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 412, 437, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 87 PRO HA 88 SER HA 4.32
&rst
ixpk= 0, nxpk= 0, iat=1345,1351, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 28 PHE HA 65 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1007,1008,1009,
&end
#
# 37 VAL HA 54 VAL HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= 563, 849, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 36 GLU HA 37 VAL HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 35 VAL HA 55 THR QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 869, 870, 871,
&end
#
# 35 VAL HA 35 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 536, 537, 538,
&end
#
# 34 ILE QG2 35 VAL HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 517, 518, 519,
&end
#
# 10 LEU H 55 THR HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 141, 865, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 54 VAL HA 55 THR HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 849, 865, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 55 THR HA 56 PHE HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 865, 881, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 54 VAL QG2 55 THR HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 857, 858, 859,
&end
#
# 55 THR HA 56 PHE H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 865, 877, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 54 VAL H 55 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 847, 865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HA 56 PHE QR 4.69
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 885, 893, 887, 891,
&end
#
# 35 VAL QG2 55 THR HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 540, 541, 542,
&end
#
# 44 GLU QB 45 THR HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 694, 695,
&end
#
# 45 THR HA 47 LYS HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 707, 740, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 45 THR HA 45 THR QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 711, 712, 713,
&end
#
# 45 THR HA 46 ASN HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 707, 723, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 2 VAL HA 3 GLU H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 23, 37, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 1 MET HA 2 VAL HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 6, 23, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 2 VAL HA 2 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 27, 28, 29,
&end
#
# 21 GLU HA 25 GLU H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 305, 369, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 21 GLU HA 24 LEU H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 305, 350, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 20 ASN HA 21 GLU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 291, 305, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 21 GLU HA 21 GLU HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 305, 311, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 21 GLU HA 24 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 359, 360, 361,
&end
#
# 20 ASN HB2 21 GLU HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 293, 305, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 81 VAL HA 82 GLU H 3.09
&rst
ixpk= 0, nxpk= 0, iat=1243,1257, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 12 ILE HA 81 VAL HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 182,1243, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 81 VAL HA 82 GLU HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1243,1262, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 81 VAL HA 81 VAL QG1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1247,1248,1249,
&end
#
# 12 ILE QG2 81 VAL HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 186, 187, 188,
&end
#
# 78 ALA QB 79 ILE HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1194,1195,1196,
&end
#
# 79 ILE HA 79 ILE QG1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1210,1211,
&end
#
# 79 ILE HA 80 LYS H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1202,1219, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 79 ILE HA 80 LYS HA 4.48
&rst
ixpk= 0, nxpk= 0, iat=1202,1221, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 79 ILE HA 79 ILE QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1206,1207,1208,
&end
#
# 34 ILE HA 35 VAL H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 513, 530, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 34 ILE HA 36 GLU H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 513, 546, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 34 ILE HA 35 VAL HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 513, 532, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 34 ILE HA 34 ILE HG13 3.87
&rst
ixpk= 0, nxpk= 0, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 34 ILE HA 35 VAL QG1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 536, 537, 538,
&end
#
# 34 ILE HA 35 VAL QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 540, 541, 542,
&end
#
# 34 ILE HA 34 ILE HG12 3.84
&rst
ixpk= 0, nxpk= 0, iat= 513, 521, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 34 ILE HA 55 THR HB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 513, 867, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 34 ILE HA 34 ILE QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 517, 518, 519,
&end
#
# 34 ILE HA 34 ILE QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 524, 525, 526,
&end
#
# 25 GLU HA 28 PHE QD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 418, 426,
&end
#
# 24 LEU HA 25 GLU HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 352, 371, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 25 GLU HA 28 PHE HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 371, 414, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 25 GLU HA 25 GLU HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 371, 377, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 25 GLU HA 25 GLU QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 373, 374,
&end
#
# 25 GLU HA 26 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 388, 389, 390,
&end
#
# 25 GLU HA 34 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 524, 525, 526,
&end
#
# 24 LEU H 25 GLU HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 350, 371, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 25 GLU HA 29 GLY HA3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 371, 433, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 30 LYS HA 31 TYR HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 439, 461, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 63 LYS HA 67 ARG H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 971,1023, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 63 LYS HA 63 LYS QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 973, 974,
&end
#
# 63 LYS HA 66 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1017,1018,1019,
&end
#
# 55 THR QG2 57 GLU HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 869, 870, 871,
&end
#
# 35 VAL H 57 GLU HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 530, 899, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 56 PHE HA 57 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 879, 899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 PHE HB3 57 GLU HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 882, 899, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 57 GLU HA 57 GLU HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 899, 902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 VAL QG1 57 GLU HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 536, 537, 538,
&end
#
# 88 SER HA 90 GLU HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat=1351,1385, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 87 PRO QG 88 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1339,1340,
&end
#
# 67 ARG HA 67 ARG QB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1027,1028,
&end
#
# 67 ARG HA 67 ARG HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1025,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ARG HA 67 ARG HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 44 GLU HA 44 GLU QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 694, 695,
&end
#
# 22 LYS HA 25 GLU HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 320, 377, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 22 LYS HA 25 GLU QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 373, 374,
&end
#
# 22 LYS HA 22 LYS HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 320, 326, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 43 ARG HA 43 ARG QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 676, 677,
&end
#
# 43 ARG HA 43 ARG QB 2.65
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 670, 671,
&end
#
# 22 LYS HA 22 LYS QD 3.26
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 328, 329,
&end
#
# 67 ARG HA 67 ARG HD2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1025,1033, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 34 ILE HA 56 PHE HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= 513, 879, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 56 PHE HA 62 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 963, 964, 965,
&end
#
# 41 LYS HA 48 SER HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= 634, 757, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 41 LYS HG2 48 SER HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= 639, 757, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 21 GLU HA 22 LYS HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 305, 320, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 41 LYS HB3 48 SER HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 637, 757, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 41 LYS HG3 48 SER HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 640, 757, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 29 GLY HA3 30 LYS HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 433, 439, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 33 ARG HA 34 ILE H 2.81
&rst
ixpk= 0, nxpk= 0, iat= 489, 511, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 29 GLY HA2 33 ARG HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 432, 489, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 33 ARG HA 33 ARG QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 497, 498,
&end
#
# 33 ARG HA 33 ARG HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 489, 495, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 33 ARG HA 34 ILE HG12 5.00
&rst
ixpk= 0, nxpk= 0, iat= 489, 521, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 LYS HA 30 LYS HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 439, 445, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 SER HA 74 LEU H 3.04
&rst
ixpk= 0, nxpk= 0, iat=1121,1130, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 73 SER HA 79 ILE H 3.70
&rst
ixpk= 0, nxpk= 0, iat=1121,1200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 73 SER HA 77 LYS H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1121,1168, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 73 SER HA 79 ILE HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1121,1202, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 73 SER HA 79 ILE QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1210,1211,
&end
#
# 73 SER HA 78 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1194,1195,1196,
&end
#
# 73 SER HA 79 ILE QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1206,1207,1208,
&end
#
# 64 ASP HA 66 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 993,1013, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 33 ARG HA 33 ARG HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 30 LYS HA 30 LYS HG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 439, 444, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 89 PHE HA 89 PHE QB 2.82
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2=1364,1365,
&end
#
# 64 ASP HA 67 ARG H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 993,1023, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 64 ASP HA 67 ARG QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1027,1028,
&end
#
# 83 GLN HA 83 GLN HE22 4.83
&rst
ixpk= 0, nxpk= 0, iat=1274,1284, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 83 GLN HA 84 ALA H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1274,1289, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 83 GLN HA 83 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1274,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU QD2 83 GLN HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 154, 155, 156,
&end
#
# 11 PHE HA 12 ILE H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 162, 180, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 10 LEU HA 83 GLN HA 3.64
&rst
ixpk= 0, nxpk= 0, iat= 143,1274, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 36 GLU HA 55 THR HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 548, 867, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 70 ASN HA 71 GLY H 3.15
&rst
ixpk= 0, nxpk= 0, iat=1078,1090, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 70 ASN HA 81 VAL H 3.59
&rst
ixpk= 0, nxpk= 0, iat=1078,1241, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 70 ASN HA 81 VAL HB 3.67
&rst
ixpk= 0, nxpk= 0, iat=1078,1245, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 70 ASN HA 81 VAL QG1 4.71
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1247,1248,1249,
&end
#
# 66 ALA HA 70 ASN HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=1015,1078, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 61 ASP HA 65 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 949,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASP HA 64 ASP H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 949, 991, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 61 ASP HA 64 ASP HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 949, 996, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 36 GLU HA 37 VAL H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 548, 561, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 36 GLU HA 36 GLU HG3 3.47
&rst
ixpk= 0, nxpk= 0, iat= 548, 554, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 34 ILE QG2 36 GLU HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 517, 518, 519,
&end
#
# 70 ASN HA 81 VAL QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1251,1252,1253,
&end
#
# 90 GLU HA 90 GLU QG 3.55
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1387,1388,
&end
#
# 18 GLU HA 18 GLU HG3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 262, 268, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 10 LEU H 53 PHE HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 141, 829, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 38 LEU H 53 PHE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 577, 829, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 12 ILE H 53 PHE HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 180, 829, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 11 PHE HA 53 PHE HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= 162, 829, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 38 LEU HB3 53 PHE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 582, 829, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 12 ILE HG12 53 PHE HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 190, 829, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 53 PHE HA 54 VAL H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 829, 847, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 53 PHE HA 53 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 837, 841,
&end
#
# 93 ARG HA 93 ARG QG 4.21
&rst
ixpk= 0, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1420,1421,
&end
#
# 53 PHE HA 54 VAL QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 853, 854, 855,
&end
#
# 9 LYS HA 56 PHE H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 121, 877, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 9 LYS HA 9 LYS HE2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 121, 132, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 9 LYS HA 55 THR QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 869, 870, 871,
&end
#
# 3 GLU HA 4 ALA H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 52, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 GLU HA 3 GLU QG 3.63
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 44, 45,
&end
#
# 74 LEU QD2 75 ASP HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1143,1144,1145,
&end
#
# 1 MET HA 2 VAL H 2.89
&rst
ixpk= 0, nxpk= 0, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 1 MET HA 2 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 31, 32, 33,
&end
#
# 47 LYS HA 47 LYS HG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 72 LYS HA 72 LYS HB2 2.99
&rst
ixpk= 0, nxpk= 0, iat=1099,1101, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 47 LYS HA 47 LYS QD 3.22
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 743, 744,
&end
#
# 72 LYS HA 73 SER H 2.76
&rst
ixpk= 0, nxpk= 0, iat=1099,1119, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 2 VAL QG2 3 GLU HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 31, 32, 33,
&end
#
# 60 ALA HA 64 ASP H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 939, 991, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 60 ALA HA 63 LYS QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 973, 974,
&end
#
# 66 ALA HA 70 ASN HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat=1015,1081, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 66 ALA HA 81 VAL HB 3.56
&rst
ixpk= 0, nxpk= 0, iat=1015,1245, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 66 ALA HA 81 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1251,1252,1253,
&end
#
# 66 ALA HA 81 VAL QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1247,1248,1249,
&end
#
# 10 LEU QD2 66 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 154, 155, 156,
&end
#
# 51 PHE HA 52 ALA H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 799, 817, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 51 PHE HA 51 PHE QD 4.30
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 805, 813,
&end
#
# 11 PHE QE 51 PHE HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 170, 174,
&end
#
# 15 LEU HG 51 PHE HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 220, 799, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 51 PHE HA 52 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 821, 822, 823,
&end
#
# 15 LEU QD1 51 PHE HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 222, 223, 224,
&end
#
# 44 GLU H 46 ASN HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 690, 721, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 45 THR H 46 ASN HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 705, 721, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 26 ALA HA 29 GLY H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 386, 430, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 25 GLU QB 26 ALA HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 373, 374,
&end
#
# 22 LYS QD 26 ALA HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 328, 329,
&end
#
# 60 ALA HA 62 ALA H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 939, 959, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 60 ALA HA 63 LYS QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 979, 980,
&end
#
# 66 ALA HA 81 VAL HA 5.26
&rst
ixpk= 0, nxpk= 0, iat=1015,1243, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 66 ALA HA 67 ARG HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=1015,1025, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 66 ALA HA 69 MET HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat=1015,1064, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 ILE HA 51 PHE HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 182, 799, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 13 GLY H 51 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HA 75 ASP H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1132,1149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ARG HA 46 ASN HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 668, 721, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 41 LYS HB2 46 ASN HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= 636, 721, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 41 LYS HA 46 ASN HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 634, 721, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 23 ALA HA 25 GLU H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 342, 369, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 23 ALA HA 27 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 400, 401, 402,
&end
#
# 26 ALA HA 27 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 386, 396, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 41 LYS HA 42 ASP H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 634, 654, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 41 LYS HA 41 LYS HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 634, 639, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 40 MET HA 41 LYS H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 617, 632, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 74 LEU HA 75 ASP HA 4.49
&rst
ixpk= 0, nxpk= 0, iat=1132,1151, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 74 LEU HA 74 LEU HG 4.02
&rst
ixpk= 0, nxpk= 0, iat=1132,1137, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 74 LEU HA 74 LEU QD2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1143,1144,1145,
&end
#
# 15 LEU HA 16 ASN H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 215, 232, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 14 GLY HA3 15 LEU HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 209, 215, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 15 LEU HA 16 ASN HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 215, 237, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 15 LEU HA 77 LYS HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 215,1172, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 15 LEU HA 15 LEU HG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 215, 220, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 15 LEU HA 16 ASN HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 215, 234, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 12 ILE QG2 15 LEU HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 186, 187, 188,
&end
#
# 15 LEU HA 15 LEU QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 222, 223, 224,
&end
#
# 80 LYS HA 81 VAL H 3.03
&rst
ixpk= 0, nxpk= 0, iat=1221,1241, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 70 ASN HA 80 LYS HA 4.05
&rst
ixpk= 0, nxpk= 0, iat=1078,1221, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 40 MET HA 40 MET QE 4.27
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 626, 627, 628,
&end
#
# 62 ALA HA 66 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 961,1013, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 56 PHE QR 62 ALA HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 885, 893, 887, 891,
&end
#
# 56 PHE HB2 62 ALA HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 881, 961, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 62 ALA HA 66 ALA QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1017,1018,1019,
&end
#
# 62 ALA HA 65 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1007,1008,1009,
&end
#
# 10 LEU QD1 62 ALA HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 150, 151, 152,
&end
#
# 10 LEU QD2 62 ALA HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 154, 155, 156,
&end
#
# 65 ALA HA 68 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1005,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 TYR QE 65 ALA HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 469, 474,
&end
#
# 64 ASP HA 65 ALA HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 993,1005, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 31 TYR HB3 65 ALA HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 464,1005, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 31 TYR HB2 65 ALA HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 463,1005, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 65 ALA HA 68 ASP HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat=1005,1052, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 65 ALA HA 68 ASP HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1005,1051, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 65 ALA HA 69 MET QG 3.95
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1066,1067,
&end
#
# 65 ALA HA 67 ARG QB 5.41
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1027,1028,
&end
#
# 65 ALA HA 66 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1017,1018,1019,
&end
#
# 10 LEU QD1 65 ALA HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 150, 151, 152,
&end
#
# 28 PHE QE 65 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 420, 424,
&end
#
# 71 GLY H 80 LYS HA 3.99
&rst
ixpk= 0, nxpk= 0, iat=1090,1221, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 80 LYS HA 80 LYS HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat=1221,1227, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 80 LYS HA 81 VAL QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1251,1252,1253,
&end
#
# 40 MET HA 41 LYS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 617, 634, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 39 LEU HA 40 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 626, 627, 628,
&end
#
# 62 ALA HA 64 ASP HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 961, 996, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 39 LEU HA 40 MET H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 598, 615, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 39 LEU HA 40 MET HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 598, 622, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 39 LEU HA 52 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 821, 822, 823,
&end
#
# 69 MET HA 72 LYS HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1061,1105, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 69 MET HA 72 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1061,1097, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 3 GLU HA 4 ALA HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 39, 54, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 4 ALA HA 84 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1293,1294,1295,
&end
#
# 10 LEU HA 81 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1247,1248,1249,
&end
#
# 38 LEU HA 39 LEU H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 579, 596, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 38 LEU HA 38 LEU QD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 590, 591, 592,
&end
#
# 4 ALA HA 5 ASP HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 54, 66, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 58 SER HA 59 PRO HD3 3.12
&rst
ixpk= 0, nxpk= 0, iat= 914, 925, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 58 SER HA 59 PRO HD2 2.95
&rst
ixpk= 0, nxpk= 0, iat= 914, 924, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 58 SER HA 59 PRO HG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 914, 927, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 74 LEU H 78 ALA HA 3.73
&rst
ixpk= 0, nxpk= 0, iat=1130,1192, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 78 ALA HA 79 ILE H 2.92
&rst
ixpk= 0, nxpk= 0, iat=1192,1200, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 73 SER HA 78 ALA HA 3.14
&rst
ixpk= 0, nxpk= 0, iat=1121,1192, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 73 SER HB2 78 ALA HA 3.84
&rst
ixpk= 0, nxpk= 0, iat=1123,1192, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 78 ALA HA 79 ILE QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1210,1211,
&end
#
# 78 ALA HA 79 ILE QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1206,1207,1208,
&end
#
# 59 PRO HD3 60 ALA H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 925, 937, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 59 PRO HD2 60 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 924, 937, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 59 PRO HD2 60 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 941, 942, 943,
&end
#
# 20 ASN HA 39 LEU QD2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 609, 610, 611,
&end
#
# 7 PRO HD2 8 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HA 21 GLU H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 291, 303, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 20 ASN HA 39 LEU QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 605, 606, 607,
&end
#
# 86 LYS H 87 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1313,1336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 LYS HA 87 PRO HD3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1315,1337, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 86 LYS HA 87 PRO HD2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1315,1336, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 52 ALA HA 53 PHE H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 819, 827, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 40 MET H 52 ALA HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 615, 819, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 51 PHE QE 52 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 807, 811,
&end
#
# 39 LEU HA 52 ALA HA 3.46
&rst
ixpk= 0, nxpk= 0, iat= 598, 819, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 28 PHE H 29 GLY HA2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 410, 432, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 29 GLY HA3 34 ILE HG13 4.38
&rst
ixpk= 0, nxpk= 0, iat= 433, 522, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 29 GLY HA3 34 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 524, 525, 526,
&end
#
# 29 GLY HA2 32 GLY H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 432, 480, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 29 GLY HA2 34 ILE HG13 4.44
&rst
ixpk= 0, nxpk= 0, iat= 432, 522, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 GLY HA2 34 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 524, 525, 526,
&end
#
# 29 GLY HA2 34 ILE HG12 5.11
&rst
ixpk= 0, nxpk= 0, iat= 432, 521, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 13 GLY HA3 14 GLY HA2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 50 GLY HA3 51 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 805, 813,
&end
#
# 17 THR QG2 50 GLY HA3 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 252, 253, 254,
&end
#
# 15 LEU HB2 50 GLY HA3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 217, 793, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 LEU QD1 50 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 14 GLY HA3 79 ILE HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 209,1202, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 14 GLY HA3 79 ILE QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1206,1207,1208,
&end
#
# 74 LEU H 76 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1130,1164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLY HA2 79 ILE HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 208,1202, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 14 GLY HA2 79 ILE QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1206,1207,1208,
&end
#
# 75 ASP HA 76 GLY HA2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1151,1163, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 15 LEU HB3 50 GLY HA2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 218, 792, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 15 LEU HB2 50 GLY HA2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 217, 792, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 15 LEU QD1 50 GLY HA2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 222, 223, 224,
&end
#
# 15 LEU HG 50 GLY HA2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 220, 792, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 76 GLY HA3 77 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1164,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLY HA2 10 LEU HG 4.96
&rst
ixpk= 0, nxpk= 0, iat= 114, 148, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 48 SER HB2 50 GLY HA2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 759, 792, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 8 GLY HA3 59 PRO HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 115, 931, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 8 GLY HA3 62 ALA QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 963, 964, 965,
&end
#
# 7 PRO HA 8 GLY HA2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 108, 114, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 8 GLY HA2 59 PRO HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 114, 931, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 8 GLY HA2 62 ALA QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 963, 964, 965,
&end
#
# 32 GLY HA2 34 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 482, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 SER HA 74 LEU HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat=1121,1135, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 69 MET QE 74 LEU HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1070,1071,1072,
&end
#
# 27 VAL QG1 74 LEU HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 400, 401, 402,
&end
#
# 74 LEU HB3 79 ILE QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1206,1207,1208,
&end
#
# 15 LEU QD1 74 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 74 LEU HB2 79 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1213,1214,1215,
&end
#
# 31 TYR HB3 32 GLY HA3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 32 GLY HA3 61 ASP HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 483, 952, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 32 GLY HA2 33 ARG QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 491, 492,
&end
#
# 32 GLY HA2 56 PHE QR 4.56
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 885, 893, 887, 891,
&end
#
# 32 GLY HA2 61 ASP HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 482, 951, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 ASP HA 49 ARG HD3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 656, 777, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 42 ASP HB2 49 ARG HD3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 658, 777, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 42 ASP H 49 ARG HD3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 654, 777, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 41 LYS H 49 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 632, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ARG HA 49 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 MET HB3 49 ARG HD3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 620, 777, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 42 ASP H 49 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP HA 49 ARG HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 656, 776, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 41 LYS HA 49 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 634, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU HB3 53 PHE HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 582, 831, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 38 LEU HB3 53 PHE H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 582, 827, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 38 LEU HB3 53 PHE HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 582, 832, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 39 LEU HB3 41 LYS HG2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 601, 639, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 10 LEU HB3 53 PHE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 146, 829, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 10 LEU HB3 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1007,1008,1009,
&end
#
# 10 LEU HB3 10 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 154, 155, 156,
&end
#
# 10 LEU HB3 11 PHE H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 146, 160, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 10 LEU HB3 82 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 146,1257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU H 38 LEU HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 38 LEU HB2 39 LEU HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 581, 598, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 38 LEU HB2 38 LEU QD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 590, 591, 592,
&end
#
# 10 LEU HB2 54 VAL H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 145, 847, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 10 LEU H 10 LEU HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 15 LEU HB3 74 LEU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 218,1134, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 10 LEU HB2 83 GLN HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 145,1274, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 21 GLU HA 39 LEU HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 305, 601, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 39 LEU HB3 41 LYS QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 645, 646,
&end
#
# 21 GLU HG2 39 LEU HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 310, 601, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 39 LEU HB3 39 LEU QD2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 609, 610, 611,
&end
#
# 39 LEU H 39 LEU HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 37 VAL QG1 38 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 567, 568, 569,
&end
#
# 39 LEU HB2 40 MET H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 600, 615, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 21 GLU HA 39 LEU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 305, 600, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 39 LEU HB2 41 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 645, 646,
&end
#
# 21 GLU HG3 39 LEU HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 311, 600, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 21 GLU HG2 39 LEU HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 310, 600, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 39 LEU HB2 39 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 609, 610, 611,
&end
#
# 38 LEU HA 39 LEU HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 579, 600, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 13 GLY HA3 51 PHE HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 202, 799, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 13 GLY HA2 51 PHE HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 201, 799, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 13 GLY HA3 51 PHE HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 202, 801, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 13 GLY HA3 15 LEU H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 202, 213, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 67 ARG H 67 ARG HD3 4.96
&rst
ixpk= 0, nxpk= 0, iat=1023,1034, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 64 ASP HA 67 ARG HD3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 993,1034, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 67 ARG QB 67 ARG HD3 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1027,1028,
&end
#
# 67 ARG HA 67 ARG HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1025,1034, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 63 LYS HA 67 ARG HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 971,1034, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 33 ARG H 33 ARG QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 497, 498,
&end
#
# 67 ARG H 67 ARG HD2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1023,1033, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 64 ASP HA 67 ARG HD2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 993,1033, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 33 ARG QD 34 ILE H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 497, 498,
&end
#
# 43 ARG QB 43 ARG QD 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 670, 671,
igr2= 676, 677,
&end
#
# 43 ARG QG 43 ARG QD 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 673, 674,
igr2= 676, 677,
&end
#
# 15 LEU HB2 51 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP HB3 43 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 659, 666, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 42 ASP H 42 ASP HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 654, 659, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 42 ASP HB3 45 THR HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 659, 707, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 41 LYS HA 42 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 634, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP HB2 43 ARG H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 658, 666, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 ASP H 42 ASP HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 654, 658, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 41 LYS HA 42 ASP HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 634, 658, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 41 LYS HB3 42 ASP HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 637, 658, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 72 LYS HA 72 LYS HE3 5.21
&rst
ixpk= 0, nxpk= 0, iat=1099,1111, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 72 LYS HG3 72 LYS HE3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1105,1111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LYS H 72 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1097,1111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LYS HG2 72 LYS HE2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1104,1110, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 67 ARG QB 68 ASP HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1027,1028,
&end
#
# 9 LYS QD 53 PHE HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 129, 130,
&end
#
# 38 LEU HB2 53 PHE HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 581, 832, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 38 LEU H 53 PHE HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 577, 832, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 38 LEU HB2 53 PHE HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 581, 831, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 38 LEU QD1 53 PHE HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 586, 587, 588,
&end
#
# 68 ASP H 68 ASP HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 31 TYR QE 68 ASP HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 469, 474,
&end
#
# 68 ASP HB2 69 MET QG 4.52
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1066,1067,
&end
#
# 68 ASP HB2 69 MET HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat=1051,1064, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 67 ARG QB 68 ASP HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1027,1028,
&end
#
# 5 ASP HB2 83 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 66,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HD21 77 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1181,1182,
&end
#
# 16 ASN HA 77 LYS QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1181,1182,
&end
#
# 39 LEU H 41 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 645, 646,
&end
#
# 41 LYS QE 46 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 645, 646,
&end
#
# 41 LYS QE 48 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 645, 646,
&end
#
# 41 LYS HA 41 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 645, 646,
&end
#
# 11 PHE HA 53 PHE HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 162, 832, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 9 LYS HG2 53 PHE HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 126, 832, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 24 LEU HB3 28 PHE QD 5.46
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 418, 426,
&end
#
# 23 ALA H 24 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 340, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 GLU HA 24 LEU HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 305, 355, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 21 GLU HG3 24 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 311, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HB2 28 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 420, 424,
&end
#
# 21 GLU HA 24 LEU HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 305, 354, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 24 LEU HB2 24 LEU QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 359, 360, 361,
&end
#
# 11 PHE QD 80 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 168, 176,
igr2=1232,1233,
&end
#
# 80 LYS QE 82 GLU QG 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1232,1233,
igr2=1264,1265,
&end
#
# 80 LYS QE 82 GLU HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1232,1233,
&end
#
# 80 LYS HG2 80 LYS QE 4.18
&rst
ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1232,1233,
&end
#
# 45 THR HB 47 LYS QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 746, 747,
&end
#
# 63 LYS HG2 63 LYS QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 982, 983,
&end
#
# 76 GLY HA3 77 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1181,1182,
&end
#
# 60 ALA HA 63 LYS QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 982, 983,
&end
#
# 76 GLY HA2 77 LYS QE 4.65
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1181,1182,
&end
#
# 63 LYS QE 67 ARG HD3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 982, 983,
&end
#
# 77 LYS HB3 77 LYS QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1181,1182,
&end
#
# 63 LYS QB 63 LYS QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 973, 974,
igr2= 982, 983,
&end
#
# 5 ASP H 86 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1326,1327,
&end
#
# 5 ASP HB3 86 LYS QE 3.83
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1326,1327,
&end
#
# 3 GLU QG 86 LYS QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 44, 45,
igr2=1326,1327,
&end
#
# 3 GLU HB3 86 LYS QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1326,1327,
&end
#
# 86 LYS QD 86 LYS QE 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1323,1324,
igr2=1326,1327,
&end
#
# 86 LYS HG3 86 LYS QE 3.58
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1326,1327,
&end
#
# 3 GLU HB2 86 LYS QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1326,1327,
&end
#
# 30 LYS QE 31 TYR QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 450, 451,
igr2= 469, 474,
&end
#
# 30 LYS QE 31 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 450, 451,
igr2= 467, 476,
&end
#
# 9 LYS HA 9 LYS HE3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 121, 133, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 9 LYS HB3 9 LYS HE3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 124, 133, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 51 PHE HB2 52 ALA H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 801, 817, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 51 PHE HB2 52 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 801, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 PHE HB2 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 821, 822, 823,
&end
#
# 9 LYS HG3 9 LYS HE2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 127, 132, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 9 LYS HG2 9 LYS HE2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 126, 132, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 13 GLY HA3 51 PHE HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 202, 802, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 13 GLY H 51 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE QB 12 ILE H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 164, 165,
&end
#
# 11 PHE QB 53 PHE QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 164, 165,
igr2= 837, 841,
&end
#
# 11 PHE QB 53 PHE HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 164, 165,
&end
#
# 10 LEU HA 11 PHE QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 164, 165,
&end
#
# 11 PHE QB 82 GLU HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 164, 165,
&end
#
# 11 PHE QB 53 PHE QD 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 164, 165,
igr2= 835, 843,
&end
#
# 56 PHE HB3 62 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 882, 961, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 56 PHE HB3 62 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 963, 964, 965,
&end
#
# 35 VAL QG2 56 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 540, 541, 542,
&end
#
# 31 TYR QE 64 ASP HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 469, 474,
&end
#
# 64 ASP HB3 65 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 996,1005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS QB 64 ASP HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 973, 974,
&end
#
# 64 ASP HB3 65 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1007,1008,1009,
&end
#
# 19 THR HA 20 ASN HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 277, 293, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 19 THR QG2 20 ASN HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 281, 282, 283,
&end
#
# 20 ASN HB2 39 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 609, 610, 611,
&end
#
# 20 ASN HB2 39 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 605, 606, 607,
&end
#
# 56 PHE HB2 58 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 881, 912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 SER QB 61 ASP HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 916, 917,
&end
#
# 63 LYS H 64 ASP HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 969, 995, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 64 ASP H 64 ASP HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 991, 995, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 63 LYS QB 64 ASP HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 973, 974,
&end
#
# 15 LEU QD1 79 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 79 ILE HB 81 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1251,1252,1253,
&end
#
# 79 ILE HB 80 LYS HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1204,1221, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 79 ILE HB 80 LYS HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1204,1223, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB3 39 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 609, 610, 611,
&end
#
# 20 ASN HB3 22 LYS H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 294, 318, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 20 ASN HB2 21 GLU H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 20 ASN HB2 22 LYS H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 293, 318, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 20 ASN HB2 21 GLU HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 293, 308, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 32 GLY HA3 61 ASP HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 483, 951, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 58 SER QB 61 ASP HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 916, 917,
&end
#
# 56 PHE HB3 61 ASP HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 882, 951, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 61 ASP HB2 62 ALA HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 951, 961, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 34 ILE HB 36 GLU H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 515, 546, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 25 GLU HG2 34 ILE HB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 376, 515, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 16 ASN HB3 75 ASP HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 237,1154, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 16 ASN HB2 75 ASP HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 236,1154, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 18 GLU HG3 75 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 268,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HG 75 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1137,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HB2 75 ASP HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat=1134,1154, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 16 ASN HB3 75 ASP HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 237,1153, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 74 LEU HG 75 ASP HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1137,1153, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 74 LEU HB2 75 ASP HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1134,1153, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 16 ASN HA 75 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 234,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASN HB2 75 ASP HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 236,1153, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 74 LEU QD1 75 ASP HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1139,1140,1141,
&end
#
# 89 PHE H 89 PHE QB 4.14
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1364,1365,
&end
#
# 70 ASN H 70 ASN HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1076,1081, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 67 ARG HA 70 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1025,1081, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASN HB3 81 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1247,1248,1249,
&end
#
# 66 ALA QB 70 ASN HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1017,1018,1019,
&end
#
# 16 ASN HB3 18 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 264, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 ASN HB3 77 LYS HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 237,1175, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 31 TYR HB3 61 ASP HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 464, 951, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 10 LEU QD1 31 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 150, 151, 152,
&end
#
# 31 TYR HB2 56 PHE QR 4.69
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 885, 893, 887, 891,
&end
#
# 70 ASN H 70 ASN HB2 3.09
&rst
ixpk= 0, nxpk= 0, iat=1076,1080, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 66 ALA QB 70 ASN HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1017,1018,1019,
&end
#
# 70 ASN HB2 71 GLY H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1080,1090, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 70 ASN HB2 81 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1080,1241, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 70 ASN HB2 81 VAL HB 4.03
&rst
ixpk= 0, nxpk= 0, iat=1080,1245, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 70 ASN HB2 81 VAL QG1 5.04
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1247,1248,1249,
&end
#
# 16 ASN HB2 77 LYS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 236,1170, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 16 ASN HB2 77 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1181,1182,
&end
#
# 15 LEU HA 16 ASN HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 215, 236, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 16 ASN HB2 77 LYS HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 236,1175, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 12 ILE H 12 ILE HB 3.95
&rst
ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 12 ILE HB 28 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 420, 424,
&end
#
# 12 ILE HB 51 PHE HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 184, 799, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 11 PHE HA 12 ILE HB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 162, 184, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 12 ILE HB 15 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 222, 223, 224,
&end
#
# 12 ILE HB 12 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 193, 194, 195,
&end
#
# 12 ILE HB 52 ALA H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 184, 817, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 12 ILE HB 15 LEU HG 4.86
&rst
ixpk= 0, nxpk= 0, iat= 184, 220, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 41 LYS HB2 46 ASN HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 636, 724, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 16 ASN HB2 77 LYS HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 236,1172, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 28 PHE HB3 65 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1007,1008,1009,
&end
#
# 28 PHE HB3 34 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 524, 525, 526,
&end
#
# 28 PHE HB2 34 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 524, 525, 526,
&end
#
# 21 GLU H 21 GLU HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 303, 311, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 21 GLU HG3 39 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 605, 606, 607,
&end
#
# 21 GLU HG2 22 LYS H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 310, 318, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 21 GLU HA 21 GLU HG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 305, 310, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 20 ASN HB3 21 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, 310, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLU HG2 39 LEU QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 605, 606, 607,
&end
#
# 21 GLU HG2 24 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 359, 360, 361,
&end
#
# 21 GLU H 21 GLU HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 303, 310, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 GLU HG2 39 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 310, 596, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 21 GLU HG3 39 LEU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 311, 596, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 ASN HA 21 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 291, 310, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 GLU HG3 37 VAL HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 554, 563, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 36 GLU HG2 37 VAL H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 553, 561, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 36 GLU H 36 GLU HG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 546, 553, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 36 GLU HA 36 GLU HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 548, 553, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 36 GLU HG2 38 LEU HG 4.88
&rst
ixpk= 0, nxpk= 0, iat= 553, 584, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 36 GLU HG2 38 LEU QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 586, 587, 588,
&end
#
# 36 GLU HG2 37 VAL HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 553, 563, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 36 GLU HG2 55 THR HB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 553, 867, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 36 GLU HG3 38 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 554, 584, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ILE QG2 36 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 517, 518, 519,
&end
#
# 44 GLU QG 45 THR H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 697, 698,
&end
#
# 44 GLU HA 44 GLU QG 3.51
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 697, 698,
&end
#
# 43 ARG QB 44 GLU QG 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 670, 671,
igr2= 697, 698,
&end
#
# 44 GLU QG 45 THR QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 697, 698,
igr2= 711, 712, 713,
&end
#
# 25 GLU H 25 GLU HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 369, 377, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 25 GLU HG3 26 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 377, 384, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 25 GLU HG3 37 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 571, 572, 573,
&end
#
# 35 VAL QG2 57 GLU QG 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 540, 541, 542,
igr2= 904, 905,
&end
#
# 18 GLU HG2 19 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 267, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLU H 25 GLU HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 369, 376, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 25 GLU HG2 26 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 376, 384, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 GLU HA 25 GLU HG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 371, 376, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 25 GLU HG2 37 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 571, 572, 573,
&end
#
# 25 GLU HG2 34 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 524, 525, 526,
&end
#
# 16 ASN HD21 18 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 242, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU QG 58 SER H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 904, 905,
&end
#
# 57 GLU H 57 GLU QG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 904, 905,
&end
#
# 2 VAL HA 3 GLU QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 44, 45,
&end
#
# 57 GLU QG 58 SER QB 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 904, 905,
igr2= 916, 917,
&end
#
# 57 GLU HA 57 GLU QG 3.71
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 904, 905,
&end
#
# 33 ARG QD 57 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 497, 498,
igr2= 904, 905,
&end
#
# 1 MET QG 3 GLU QG 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 11, 12,
igr2= 44, 45,
&end
#
# 3 GLU HB2 3 GLU QG 2.96
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 44, 45,
&end
#
# 3 GLU QG 86 LYS QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 44, 45,
igr2=1323,1324,
&end
#
# 55 THR QG2 57 GLU QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 869, 870, 871,
igr2= 904, 905,
&end
#
# 35 VAL QG1 57 GLU QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 536, 537, 538,
igr2= 904, 905,
&end
#
# 16 ASN HB2 18 GLU HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 236, 267, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 18 GLU H 18 GLU HG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 260, 267, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 41 LYS HB3 41 LYS QE 4.90
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 645, 646,
&end
#
# 41 LYS HB2 42 ASP H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 636, 654, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 41 LYS HB2 48 SER HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 636, 757, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 41 LYS HB2 41 LYS QE 4.80
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 645, 646,
&end
#
# 3 GLU QG 4 ALA H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 44, 45,
&end
#
# 3 GLU H 3 GLU QG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 44, 45,
&end
#
# 89 PHE QE 90 GLU QG 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1370,1374,
igr2=1387,1388,
&end
#
# 89 PHE QD 90 GLU QG 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1368,1376,
igr2=1387,1388,
&end
#
# 90 GLU QG 91 SER HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1387,1388,
&end
#
# 89 PHE QB 90 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1364,1365,
igr2=1387,1388,
&end
#
# 90 GLU HB3 90 GLU QG 2.72
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2=1387,1388,
&end
#
# 82 GLU QG 83 GLN H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1264,1265,
&end
#
# 11 PHE QB 82 GLU QG 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 164, 165,
igr2=1264,1265,
&end
#
# 82 GLU HB3 82 GLU QG 2.71
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1264,1265,
&end
#
# 80 LYS HG2 82 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1264,1265,
&end
#
# 37 VAL HA 54 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 563, 851, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 10 LEU H 54 VAL HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 141, 851, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 54 VAL HB 55 THR H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 851, 863, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 54 VAL H 54 VAL HB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 28 PHE QE 54 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 420, 424,
&end
#
# 53 PHE HA 54 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 829, 851, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 10 LEU HB3 54 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 146, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU QD1 54 VAL HB 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 150, 151, 152,
&end
#
# 81 VAL QG1 82 GLU HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1247,1248,1249,
&end
#
# 9 LYS HB3 10 LEU H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 9 LYS HB3 9 LYS HE2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 124, 132, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 9 LYS HB3 55 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 869, 870, 871,
&end
#
# 11 PHE QD 82 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 176,
&end
#
# 16 ASN HB3 77 LYS HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 237,1172, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 11 PHE QE 80 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 170, 174,
&end
#
# 9 LYS HB2 56 PHE H 5.47
&rst
ixpk= 0, nxpk= 0, iat= 123, 877, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 9 LYS HB2 9 LYS HE3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 123, 133, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 9 LYS HB2 10 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 123, 141, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 9 LYS HB2 9 LYS HE2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 123, 132, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 11 PHE H 82 GLU HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 160,1261, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 82 GLU HB2 83 GLN H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1261,1272, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 81 VAL HA 82 GLU HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1243,1261, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 11 PHE QB 82 GLU HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 164, 165,
&end
#
# 15 LEU HA 77 LYS HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 215,1173, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 77 LYS HB2 78 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1172,1190, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 79 ILE HA 80 LYS HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1202,1224, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 77 LYS HB2 79 ILE QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1206,1207,1208,
&end
#
# 74 LEU H 77 LYS HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1130,1172, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 80 LYS H 80 LYS HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=1219,1224, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 80 LYS HB3 80 LYS QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1232,1233,
&end
#
# 13 GLY H 80 LYS HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 199,1224, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 80 LYS HB2 80 LYS QE 5.24
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1232,1233,
&end
#
# 11 PHE QE 80 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 170, 174,
&end
#
# 81 VAL HB 82 GLU H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1245,1257, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 69 MET H 81 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat=1059,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 80 LYS HA 81 VAL HB 4.97
&rst
ixpk= 0, nxpk= 0, iat=1221,1245, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 70 ASN HB3 81 VAL HB 3.91
&rst
ixpk= 0, nxpk= 0, iat=1081,1245, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 36 GLU HB3 55 THR QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 869, 870, 871,
&end
#
# 36 GLU HB2 37 VAL H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 550, 561, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 36 GLU HB2 55 THR HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 550, 867, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 36 GLU HB2 55 THR QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 869, 870, 871,
&end
#
# 35 VAL QG2 36 GLU HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 540, 541, 542,
&end
#
# 42 ASP HB2 47 LYS HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 658, 738, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 47 LYS HB2 48 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 737, 755, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 47 LYS HB2 47 LYS QE 4.80
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 746, 747,
&end
#
# 21 GLU HA 37 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 305, 565, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 42 ASP HB2 47 LYS HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 658, 737, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 LEU QD2 83 GLN HG3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 154, 155, 156,
&end
#
# 83 GLN HG3 84 ALA H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1280,1289, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 9 LYS H 83 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 119,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ALA QB 83 GLN HG3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 56, 57, 58,
&end
#
# 10 LEU QD2 83 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
&end
#
# 83 GLN HG2 84 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1279,1289, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 83 GLN H 83 GLN HG2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1272,1279, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 2 VAL HB 3 GLU H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 25, 37, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 72 LYS HB3 73 SER H 3.53
&rst
ixpk= 0, nxpk= 0, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 69 MET HA 72 LYS HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat=1061,1102, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 35 VAL H 35 VAL HB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 530, 534, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 35 VAL HB 36 GLU H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 534, 546, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 35 VAL HB 55 THR HB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 534, 867, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 35 VAL HB 55 THR QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 869, 870, 871,
&end
#
# 34 ILE QG2 35 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 517, 518, 519,
&end
#
# 69 MET HA 72 LYS HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1061,1101, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 72 LYS HB2 72 LYS HE2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1101,1110, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 72 LYS HB2 73 SER HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1101,1123, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 38 LEU QD2 40 MET HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 590, 591, 592,
&end
#
# 27 VAL H 27 VAL HB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 40 MET HG3 41 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 623, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 MET HG3 52 ALA HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 623, 819, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 40 MET HG2 51 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 807, 811,
&end
#
# 40 MET H 40 MET HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 615, 622, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 58 SER HA 59 PRO HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 914, 930, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 59 PRO HB2 60 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 941, 942, 943,
&end
#
# 27 VAL HB 28 PHE QE 5.39
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 420, 424,
&end
#
# 24 LEU HA 27 VAL HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 352, 398, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 40 MET H 40 MET HG3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 615, 623, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 58 SER HA 59 PRO HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 914, 931, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 7 PRO HB3 59 PRO HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 106, 931, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 8 GLY H 59 PRO HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 112, 931, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 59 PRO HB2 63 LYS HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 930, 977, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 40 MET HG2 52 ALA HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 622, 819, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 85 THR HB 86 LYS HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat=1303,1318, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 86 LYS HB3 86 LYS QE 5.04
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1326,1327,
&end
#
# 86 LYS HB3 87 PRO HD3 4.48
&rst
ixpk= 0, nxpk= 0, iat=1318,1337, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 86 LYS HB3 87 PRO HD2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1318,1336, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 86 LYS HB2 87 PRO HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat=1317,1337, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 86 LYS HB2 87 PRO HD2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1317,1336, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 86 LYS HB2 86 LYS QE 5.12
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1326,1327,
&end
#
# 3 GLU HB3 86 LYS HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 42,1317, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 1 MET QG 2 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 69 MET QG 81 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1066,1067,
igr2=1247,1248,1249,
&end
#
# 66 ALA HA 69 MET QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1066,1067,
&end
#
# 69 MET HB3 69 MET QG 3.00
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1066,1067,
&end
#
# 68 ASP HB3 69 MET QG 4.31
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1066,1067,
&end
#
# 69 MET HB3 81 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1247,1248,1249,
&end
#
# 31 TYR QE 69 MET HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 469, 474,
&end
#
# 68 ASP HB3 69 MET HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1052,1064, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 66 ALA HA 69 MET HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1015,1063, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 69 MET HB2 69 MET QE 3.31
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1070,1071,1072,
&end
#
# 87 PRO HB3 89 PHE H 5.47
&rst
ixpk= 0, nxpk= 0, iat=1343,1360, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 5 ASP HB2 86 LYS HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 66,1317, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 30 LYS HB3 31 TYR QD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 467, 476,
&end
#
# 30 LYS H 30 LYS HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 27 VAL HA 30 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 396, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LYS HB2 30 LYS QE 5.19
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 450, 451,
&end
#
# 7 PRO HB3 8 GLY H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 106, 112, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 49 ARG HB3 51 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 805, 813,
&end
#
# 49 ARG HB3 51 PHE QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 807, 811,
&end
#
# 21 GLU H 22 LYS HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 303, 323, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 30 LYS HB3 30 LYS QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 450, 451,
&end
#
# 41 LYS HA 49 ARG HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 634, 770, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 3 GLU HB3 86 LYS QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1323,1324,
&end
#
# 3 GLU HB2 4 ALA H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 41, 52, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 22 LYS H 22 LYS HB2 3.09
&rst
ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 22 LYS HB2 24 LEU H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 322, 350, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 1 MET HA 3 GLU HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 6, 42, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 93 ARG H 94 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1441,1442,
&end
#
# 33 ARG QB 33 ARG HG3 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 491, 492,
&end
#
# 93 ARG QD 94 ARG QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1423,1424,
igr2=1441,1442,
&end
#
# 33 ARG QD 57 GLU HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 497, 498,
&end
#
# 35 VAL QG1 57 GLU HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 536, 537, 538,
&end
#
# 35 VAL QG2 57 GLU HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 540, 541, 542,
&end
#
# 57 GLU HB2 58 SER HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 901, 914, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 9 LYS QD 53 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 129, 130,
igr2= 837, 841,
&end
#
# 9 LYS H 9 LYS QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 129, 130,
&end
#
# 9 LYS HA 9 LYS QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 129, 130,
&end
#
# 9 LYS HB3 9 LYS QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 129, 130,
&end
#
# 87 PRO QG 90 GLU HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1339,1340,
&end
#
# 67 ARG QB 68 ASP HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1027,1028,
&end
#
# 43 ARG QB 44 GLU H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 670, 671,
&end
#
# 42 ASP HA 43 ARG QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 670, 671,
&end
#
# 43 ARG QB 43 ARG QG 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 670, 671,
igr2= 673, 674,
&end
#
# 44 GLU QB 44 GLU QG 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1= 694, 695,
igr2= 697, 698,
&end
#
# 18 GLU HB3 19 THR H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 265, 275, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 66 ALA H 67 ARG QB 4.66
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1027,1028,
&end
#
# 67 ARG QB 67 ARG HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1027,1028,
&end
#
# 66 ALA QB 67 ARG QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1017,1018,1019,
igr2=1027,1028,
&end
#
# 63 LYS HA 67 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1027,1028,
&end
#
# 18 GLU H 18 GLU HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 260, 265, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 16 ASN HD21 18 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 242, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLU QB 37 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 373, 374,
igr2= 571, 572, 573,
&end
#
# 5 ASP HB3 86 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1323,1324,
&end
#
# 40 MET HB3 41 LYS H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 620, 632, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 40 MET HB3 49 ARG HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 620, 776, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 40 MET HB2 51 PHE H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 619, 797, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 40 MET HB2 41 LYS H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 619, 632, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 39 LEU HA 40 MET HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 598, 619, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 40 MET HB2 49 ARG HD2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 619, 776, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 39 LEU QD2 40 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 609, 610, 611,
&end
#
# 40 MET HB2 51 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 807, 811,
&end
#
# 63 LYS H 63 LYS QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 979, 980,
&end
#
# 63 LYS HA 63 LYS QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 979, 980,
&end
#
# 40 MET HB3 49 ARG HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 620, 773, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 80 LYS HA 80 LYS QD 4.77
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1229,1230,
&end
#
# 80 LYS QD 82 GLU HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1229,1230,
&end
#
# 41 LYS HA 41 LYS HD3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 634, 643, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 41 LYS HD3 48 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 643, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU QD1 41 LYS HD3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 605, 606, 607,
&end
#
# 41 LYS HD3 47 LYS HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 643, 735, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 41 LYS HD3 46 ASN HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 643, 724, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 39 LEU QD1 41 LYS HD2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 605, 606, 607,
&end
#
# 41 LYS HD2 46 ASN HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 642, 721, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 LYS HD2 48 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 642, 757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU HA 83 GLN HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat=1259,1277, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 83 GLN HB3 84 ALA H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1277,1289, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 83 GLN HB3 83 GLN HE22 5.32
&rst
ixpk= 0, nxpk= 0, iat=1277,1284, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 83 GLN HB3 83 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1277,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU QD2 83 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
&end
#
# 83 GLN HB2 84 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1276,1289, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 82 GLU HA 83 GLN HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1259,1276, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 63 LYS QB 63 LYS QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 973, 974,
igr2= 979, 980,
&end
#
# 47 LYS HG2 47 LYS QD 2.79
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 743, 744,
&end
#
# 41 LYS HA 41 LYS HD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 634, 642, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 41 LYS HD2 46 ASN HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 642, 724, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 41 LYS H 41 LYS HD2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 632, 642, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 30 LYS HA 30 LYS QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 447, 448,
&end
#
# 27 VAL HA 30 LYS QD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 447, 448,
&end
#
# 30 LYS H 30 LYS QD 5.11
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 447, 448,
&end
#
# 30 LYS QD 31 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 447, 448,
igr2= 469, 474,
&end
#
# 21 GLU HB3 22 LYS HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 308, 320, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 21 GLU HB3 37 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 567, 568, 569,
&end
#
# 21 GLU HB3 22 LYS H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 308, 318, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 10 LEU HA 83 GLN HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 143,1276, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 21 GLU H 21 GLU HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 21 GLU HB2 22 LYS H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 307, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 20 ASN HB3 21 GLU HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 294, 307, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 21 GLU HB2 37 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 567, 568, 569,
&end
#
# 21 GLU HB2 22 LYS HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 307, 320, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 22 LYS QD 23 ALA H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 328, 329,
&end
#
# 47 LYS HB3 47 LYS QD 2.68
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 743, 744,
&end
#
# 22 LYS HG3 22 LYS QD 2.68
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 328, 329,
&end
#
# 69 MET HA 72 LYS QD 4.52
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1107,1108,
&end
#
# 72 LYS HA 72 LYS QD 3.88
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1107,1108,
&end
#
# 72 LYS QD 73 SER H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1107,1108,
&end
#
# 72 LYS H 72 LYS QD 4.79
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1107,1108,
&end
#
# 72 LYS HB3 72 LYS QD 4.10
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1107,1108,
&end
#
# 17 THR QG2 47 LYS QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 252, 253, 254,
igr2= 743, 744,
&end
#
# 11 PHE HA 12 ILE HG13 5.37
&rst
ixpk= 0, nxpk= 0, iat= 162, 191, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 12 ILE QG2 12 ILE HG13 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 186, 187, 188,
&end
#
# 12 ILE HG13 54 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 191, 847, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 12 ILE H 12 ILE HG13 4.78
&rst
ixpk= 0, nxpk= 0, iat= 180, 191, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 12 ILE HG13 28 PHE HZ 4.85
&rst
ixpk= 0, nxpk= 0, iat= 191, 422, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 ILE HG13 54 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 853, 854, 855,
&end
#
# 12 ILE H 12 ILE HG12 4.80
&rst
ixpk= 0, nxpk= 0, iat= 180, 190, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 12 ILE HG12 28 PHE HZ 4.89
&rst
ixpk= 0, nxpk= 0, iat= 190, 422, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 ILE HG12 81 VAL HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 190,1243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 11 PHE HA 12 ILE HG12 5.43
&rst
ixpk= 0, nxpk= 0, iat= 162, 190, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 12 ILE QG2 12 ILE HG12 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 186, 187, 188,
&end
#
# 12 ILE HG12 54 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 853, 854, 855,
&end
#
# 59 PRO HG3 63 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 979, 980,
&end
#
# 58 SER HA 59 PRO HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 914, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 PRO HG3 60 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 941, 942, 943,
&end
#
# 77 LYS HA 77 LYS HD3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1170,1179, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 77 LYS HD2 78 ALA H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1178,1190, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 77 LYS HA 77 LYS HD2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1170,1178, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 77 LYS H 77 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1168,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 PRO QG 8 GLY H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 102, 103,
&end
#
# 7 PRO QG 59 PRO HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 102, 103,
&end
#
# 7 PRO HB3 59 PRO HG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 106, 927, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 34 ILE HG13 56 PHE QR 4.67
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 885, 893, 887, 891,
&end
#
# 33 ARG QB 33 ARG HG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 491, 492,
&end
#
# 34 ILE HG12 56 PHE HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 521, 879, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 29 GLY HA3 34 ILE HG12 5.16
&rst
ixpk= 0, nxpk= 0, iat= 433, 521, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 34 ILE HG12 54 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 521, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU HG 53 PHE QD 5.10
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 835, 843,
&end
#
# 41 LYS HA 49 ARG HG3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 634, 774, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 49 ARG HA 49 ARG HG3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 768, 774, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 67 ARG QB 67 ARG HG3 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1027,1028,
&end
#
# 43 ARG HA 43 ARG QG 3.89
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 673, 674,
&end
#
# 43 ARG QG 44 GLU HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 673, 674,
&end
#
# 64 ASP HA 67 ARG HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 993,1030, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 49 ARG H 49 ARG HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 766, 773, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 41 LYS HA 49 ARG HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 634, 773, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 49 ARG HA 49 ARG HG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 768, 773, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 42 ASP HB2 49 ARG HG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 658, 773, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 39 LEU H 39 LEU HG 5.01
&rst
ixpk= 0, nxpk= 0, iat= 596, 603, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 39 LEU HG 40 MET H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 603, 615, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 39 LEU HG 41 LYS QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 645, 646,
&end
#
# 39 LEU HG 41 LYS HG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 603, 639, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 24 LEU QD1 39 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 359, 360, 361,
&end
#
# 15 LEU QD1 39 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 87 PRO QG 90 GLU H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1339,1340,
&end
#
# 15 LEU HG 16 ASN H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 220, 232, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 15 LEU HG 79 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 10 LEU HB3 10 LEU HG 2.97
&rst
ixpk= 0, nxpk= 0, iat= 146, 148, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 23 ALA H 24 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 340, 357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LEU QD1 24 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 10 LEU QD1 62 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 150, 151, 152,
igr2= 963, 964, 965,
&end
#
# 9 LYS HA 10 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 150, 151, 152,
&end
#
# 39 LEU QD1 40 MET H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 605, 606, 607,
&end
#
# 39 LEU QD1 48 SER HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 605, 606, 607,
&end
#
# 21 GLU HA 39 LEU QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 605, 606, 607,
&end
#
# 19 THR QG2 24 LEU HG 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 281, 282, 283,
&end
#
# 10 LEU H 10 LEU QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 150, 151, 152,
&end
#
# 10 LEU QD1 11 PHE H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 150, 151, 152,
&end
#
# 10 LEU QD1 56 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 150, 151, 152,
&end
#
# 10 LEU QD1 54 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 150, 151, 152,
&end
#
# 10 LEU QD1 28 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 150, 151, 152,
igr2= 420, 424,
&end
#
# 10 LEU HA 10 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 150, 151, 152,
&end
#
# 10 LEU QD1 66 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 150, 151, 152,
&end
#
# 10 LEU HB3 10 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 150, 151, 152,
&end
#
# 10 LEU QD1 66 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 150, 151, 152,
igr2=1017,1018,1019,
&end
#
# 10 LEU HB2 10 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 150, 151, 152,
&end
#
# 10 LEU QD1 65 ALA QB 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 150, 151, 152,
igr2=1007,1008,1009,
&end
#
# 10 LEU QD1 12 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 150, 151, 152,
igr2= 193, 194, 195,
&end
#
# 21 GLU H 39 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 605, 606, 607,
&end
#
# 39 LEU H 39 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 605, 606, 607,
&end
#
# 20 ASN HB3 39 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 605, 606, 607,
&end
#
# 39 LEU QD1 41 LYS QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 605, 606, 607,
igr2= 645, 646,
&end
#
# 39 LEU HB3 39 LEU QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 605, 606, 607,
&end
#
# 39 LEU QD1 41 LYS HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 605, 606, 607,
&end
#
# 24 LEU QD1 39 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 359, 360, 361,
igr2= 605, 606, 607,
&end
#
# 15 LEU QD1 51 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 12 ILE QD1 15 LEU QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 193, 194, 195,
igr2= 222, 223, 224,
&end
#
# 15 LEU QD1 16 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 15 LEU QD1 52 ALA H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 222, 223, 224,
&end
#
# 15 LEU QD1 52 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 15 LEU QD1 51 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 15 LEU HB3 15 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 222, 223, 224,
&end
#
# 15 LEU HB2 15 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 222, 223, 224,
&end
#
# 15 LEU QD1 24 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 222, 223, 224,
igr2= 363, 364, 365,
&end
#
# 15 LEU QD1 24 LEU QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 222, 223, 224,
igr2= 359, 360, 361,
&end
#
# 9 LYS HA 10 LEU HG 5.22
&rst
ixpk= 0, nxpk= 0, iat= 121, 148, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 72 LYS HG3 73 SER H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1105,1119, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 69 MET HA 72 LYS HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1061,1104, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 72 LYS HA 72 LYS HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1099,1104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 LYS HG2 72 LYS HE3 4.09
&rst
ixpk= 0, nxpk= 0, iat=1104,1111, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 74 LEU QD1 75 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1139,1140,1141,
&end
#
# 74 LEU H 74 LEU QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1139,1140,1141,
&end
#
# 28 PHE QD 74 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 418, 426,
igr2=1139,1140,1141,
&end
#
# 28 PHE QE 74 LEU QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 420, 424,
igr2=1139,1140,1141,
&end
#
# 74 LEU HA 74 LEU QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1139,1140,1141,
&end
#
# 23 ALA HA 74 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1139,1140,1141,
&end
#
# 24 LEU HA 74 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1139,1140,1141,
&end
#
# 15 LEU HA 74 LEU QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1139,1140,1141,
&end
#
# 27 VAL HB 74 LEU QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1139,1140,1141,
&end
#
# 74 LEU HB3 74 LEU QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1139,1140,1141,
&end
#
# 69 MET QE 74 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1070,1071,1072,
igr2=1139,1140,1141,
&end
#
# 19 THR QG2 74 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 281, 282, 283,
igr2=1139,1140,1141,
&end
#
# 24 LEU QD1 74 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 359, 360, 361,
igr2=1139,1140,1141,
&end
#
# 15 LEU QD1 74 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 222, 223, 224,
igr2=1139,1140,1141,
&end
#
# 24 LEU QD1 39 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 359, 360, 361,
&end
#
# 23 ALA H 24 LEU QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 359, 360, 361,
&end
#
# 24 LEU H 24 LEU QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 359, 360, 361,
&end
#
# 24 LEU QD1 28 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 359, 360, 361,
igr2= 418, 426,
&end
#
# 24 LEU QD1 28 PHE QE 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 359, 360, 361,
igr2= 420, 424,
&end
#
# 24 LEU QD1 52 ALA HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 359, 360, 361,
&end
#
# 24 LEU QD1 39 LEU HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 359, 360, 361,
&end
#
# 24 LEU HA 24 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 359, 360, 361,
&end
#
# 21 GLU HG3 24 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 359, 360, 361,
&end
#
# 24 LEU HB3 24 LEU QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 359, 360, 361,
&end
#
# 24 LEU QD1 39 LEU HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 359, 360, 361,
&end
#
# 12 ILE QD1 52 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 193, 194, 195,
igr2= 821, 822, 823,
&end
#
# 21 GLU H 24 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 359, 360, 361,
&end
#
# 24 LEU QD1 39 LEU HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 359, 360, 361,
&end
#
# 60 ALA HA 63 LYS HG3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 939, 977, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 37 VAL HA 38 LEU QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 586, 587, 588,
&end
#
# 38 LEU H 52 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 821, 822, 823,
&end
#
# 52 ALA QB 53 PHE H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 821, 822, 823,
&end
#
# 40 MET H 52 ALA QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 821, 822, 823,
&end
#
# 52 ALA QB 53 PHE HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 821, 822, 823,
&end
#
# 24 LEU HB3 52 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 821, 822, 823,
&end
#
# 38 LEU HB3 52 ALA QB 5.41
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 821, 822, 823,
&end
#
# 12 ILE HB 52 ALA QB 3.51
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 821, 822, 823,
&end
#
# 39 LEU QD2 52 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 609, 610, 611,
igr2= 821, 822, 823,
&end
#
# 24 LEU QD1 52 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 359, 360, 361,
igr2= 821, 822, 823,
&end
#
# 15 LEU QD1 52 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 222, 223, 224,
igr2= 821, 822, 823,
&end
#
# 52 ALA H 52 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 821, 822, 823,
&end
#
# 63 LYS HA 63 LYS HG3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 971, 977, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 ASN HD22 80 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1085,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LYS HG3 82 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1227,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LYS H 80 LYS HG3 4.86
&rst
ixpk= 0, nxpk= 0, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 46 ASN HB3 47 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 724, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS H 63 LYS HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 969, 976, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 60 ALA HA 63 LYS HG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 939, 976, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 63 LYS HA 63 LYS HG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 971, 976, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 63 LYS HG2 64 ASP H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 976, 991, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 80 LYS HG2 82 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1226,1257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE QD 80 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 176,
&end
#
# 11 PHE QE 80 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 170, 174,
&end
#
# 80 LYS HG2 81 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1226,1243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ASP HA 86 LYS HG3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 64,1321, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 86 LYS H 86 LYS HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1313,1320, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 5 ASP HA 86 LYS HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 64,1320, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 86 LYS HG2 87 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU H 38 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 586, 587, 588,
&end
#
# 38 LEU QD1 53 PHE QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 586, 587, 588,
igr2= 835, 843,
&end
#
# 38 LEU HA 38 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 586, 587, 588,
&end
#
# 38 LEU QD1 53 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 586, 587, 588,
&end
#
# 38 LEU QD1 40 MET QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 586, 587, 588,
igr2= 626, 627, 628,
&end
#
# 38 LEU HB3 38 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 586, 587, 588,
&end
#
# 47 LYS H 47 LYS HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 733, 741, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 22 LYS HA 22 LYS HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 320, 325, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 22 LYS HG2 22 LYS QE 3.90
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 331, 332,
&end
#
# 9 LYS HG3 53 PHE QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 835, 843,
&end
#
# 40 MET HA 41 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 617, 640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HG3 41 LYS QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 645, 646,
&end
#
# 39 LEU QD1 41 LYS HG3 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 605, 606, 607,
&end
#
# 41 LYS HG2 42 ASP H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 41 LYS HG2 41 LYS QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 645, 646,
&end
#
# 41 LYS HG2 49 ARG H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 639, 766, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 39 LEU QD2 41 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 609, 610, 611,
&end
#
# 77 LYS HG3 77 LYS QE 4.12
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1181,1182,
&end
#
# 39 LEU QD2 41 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 609, 610, 611,
&end
#
# 74 LEU QD2 75 ASP H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1143,1144,1145,
&end
#
# 74 LEU H 74 LEU QD2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1143,1144,1145,
&end
#
# 28 PHE QE 74 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 420, 424,
igr2=1143,1144,1145,
&end
#
# 24 LEU HA 74 LEU QD2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1143,1144,1145,
&end
#
# 74 LEU HB3 74 LEU QD2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1143,1144,1145,
&end
#
# 74 LEU HB2 74 LEU QD2 3.19
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1143,1144,1145,
&end
#
# 74 LEU QD2 79 ILE QD1 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1143,1144,1145,
igr2=1213,1214,1215,
&end
#
# 27 VAL QG2 74 LEU QD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 404, 405, 406,
igr2=1143,1144,1145,
&end
#
# 74 LEU H 79 ILE QG1 4.73
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1210,1211,
&end
#
# 77 LYS H 77 LYS HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1168,1176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 ASN HA 77 LYS HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 234,1175, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 15 LEU HA 77 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 215,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LYS HG2 77 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1181,1182,
&end
#
# 15 LEU QD2 80 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 15 LEU QD2 16 ASN H 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 226, 227, 228,
&end
#
# 15 LEU QD2 51 PHE HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 226, 227, 228,
&end
#
# 15 LEU QD2 79 ILE HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 226, 227, 228,
&end
#
# 15 LEU HA 15 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 226, 227, 228,
&end
#
# 15 LEU QD2 74 LEU HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 226, 227, 228,
&end
#
# 15 LEU QD2 79 ILE QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 226, 227, 228,
igr2=1210,1211,
&end
#
# 15 LEU HB3 15 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 226, 227, 228,
&end
#
# 15 LEU HB2 15 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 226, 227, 228,
&end
#
# 12 ILE QD1 15 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= 193, 194, 195,
igr2= 226, 227, 228,
&end
#
# 16 ASN HB3 77 LYS HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 237,1176, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 16 ASN H 77 LYS HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 232,1175, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 12 ILE H 81 VAL QG1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1247,1248,1249,
&end
#
# 38 LEU QD2 53 PHE HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 590, 591, 592,
&end
#
# 27 VAL HA 30 LYS HG3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 396, 445, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 81 VAL QG1 82 GLU H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1247,1248,1249,
&end
#
# 81 VAL H 81 VAL QG1 4.66
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1247,1248,1249,
&end
#
# 66 ALA H 81 VAL QG1 4.49
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1247,1248,1249,
&end
#
# 10 LEU HB3 81 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1247,1248,1249,
&end
#
# 10 LEU QD2 81 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 154, 155, 156,
igr2=1247,1248,1249,
&end
#
# 30 LYS HG3 31 TYR H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 445, 459, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 30 LYS HG3 31 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 467, 476,
&end
#
# 30 LYS HG3 31 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 474,
&end
#
# 21 GLU H 39 LEU QD2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 609, 610, 611,
&end
#
# 39 LEU QD2 40 MET H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 609, 610, 611,
&end
#
# 39 LEU QD2 52 ALA HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 609, 610, 611,
&end
#
# 39 LEU HA 39 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 609, 610, 611,
&end
#
# 39 LEU QD2 50 GLY HA2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 609, 610, 611,
&end
#
# 39 LEU QD2 41 LYS QE 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 609, 610, 611,
igr2= 645, 646,
&end
#
# 24 LEU QD2 25 GLU H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 363, 364, 365,
&end
#
# 24 LEU QD2 28 PHE QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 363, 364, 365,
igr2= 418, 426,
&end
#
# 24 LEU QD2 28 PHE QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 363, 364, 365,
igr2= 420, 424,
&end
#
# 24 LEU HA 24 LEU QD2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 363, 364, 365,
&end
#
# 24 LEU HB3 24 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 363, 364, 365,
&end
#
# 19 THR QG2 24 LEU QD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 281, 282, 283,
igr2= 363, 364, 365,
&end
#
# 24 LEU HB2 24 LEU QD2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 363, 364, 365,
&end
#
# 39 LEU QD2 51 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 609, 610, 611,
&end
#
# 39 LEU QD2 48 SER HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 609, 610, 611,
&end
#
# 21 GLU HA 39 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 609, 610, 611,
&end
#
# 19 THR QG2 24 LEU H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 281, 282, 283,
&end
#
# 19 THR QG2 23 ALA HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 281, 282, 283,
&end
#
# 16 ASN H 19 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 281, 282, 283,
&end
#
# 19 THR QG2 20 ASN HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 281, 282, 283,
&end
#
# 19 THR QG2 23 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 281, 282, 283,
igr2= 344, 345, 346,
&end
#
# 19 THR QG2 24 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 281, 282, 283,
igr2= 359, 360, 361,
&end
#
# 19 THR QG2 23 ALA H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 281, 282, 283,
&end
#
# 19 THR HA 19 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 281, 282, 283,
&end
#
# 19 THR QG2 74 LEU HG 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 281, 282, 283,
&end
#
# 15 LEU HB3 19 THR QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 281, 282, 283,
&end
#
# 19 THR QG2 27 VAL QG1 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 281, 282, 283,
igr2= 400, 401, 402,
&end
#
# 15 LEU QD1 19 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 222, 223, 224,
igr2= 281, 282, 283,
&end
#
# 10 LEU QD2 11 PHE H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 154, 155, 156,
&end
#
# 10 LEU QD2 82 GLU H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 154, 155, 156,
&end
#
# 10 LEU H 10 LEU QD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 154, 155, 156,
&end
#
# 10 LEU QD2 83 GLN H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 154, 155, 156,
&end
#
# 10 LEU HA 10 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 154, 155, 156,
&end
#
# 10 LEU QD2 63 LYS HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 154, 155, 156,
&end
#
# 17 THR QG2 48 SER H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 252, 253, 254,
&end
#
# 17 THR QG2 19 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 252, 253, 254,
&end
#
# 17 THR QG2 47 LYS QE 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 252, 253, 254,
igr2= 746, 747,
&end
#
# 17 THR QG2 18 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 252, 253, 254,
&end
#
# 17 THR QG2 50 GLY HA2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 252, 253, 254,
&end
#
# 27 VAL QG1 28 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 400, 401, 402,
&end
#
# 26 ALA H 27 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 400, 401, 402,
&end
#
# 27 VAL H 27 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 400, 401, 402,
&end
#
# 27 VAL QG1 28 PHE QD 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 400, 401, 402,
igr2= 418, 426,
&end
#
# 24 LEU HA 27 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 400, 401, 402,
&end
#
# 27 VAL HA 27 VAL QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 400, 401, 402,
&end
#
# 27 VAL QG1 30 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 400, 401, 402,
igr2= 450, 451,
&end
#
# 23 ALA QB 27 VAL QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 344, 345, 346,
igr2= 400, 401, 402,
&end
#
# 26 ALA QB 27 VAL QG1 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 388, 389, 390,
igr2= 400, 401, 402,
&end
#
# 27 VAL QG1 30 LYS QD 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 400, 401, 402,
igr2= 447, 448,
&end
#
# 27 VAL QG1 74 LEU QD2 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 400, 401, 402,
igr2=1143,1144,1145,
&end
#
# 27 VAL QG1 74 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= 400, 401, 402,
igr2=1139,1140,1141,
&end
#
# 10 LEU QD2 82 GLU HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 154, 155, 156,
&end
#
# 10 LEU QD2 56 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
&end
#
# 10 LEU QD2 66 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 154, 155, 156,
&end
#
# 70 ASN HB2 81 VAL QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1251,1252,1253,
&end
#
# 71 GLY H 81 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1251,1252,1253,
&end
#
# 81 VAL H 81 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1251,1252,1253,
&end
#
# 72 LYS H 81 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1251,1252,1253,
&end
#
# 81 VAL HA 81 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1251,1252,1253,
&end
#
# 70 ASN HB3 81 VAL QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1251,1252,1253,
&end
#
# 69 MET QG 81 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1066,1067,
igr2=1251,1252,1253,
&end
#
# 69 MET HB3 81 VAL QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1251,1252,1253,
&end
#
# 79 ILE QG1 81 VAL QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1210,1211,
igr2=1251,1252,1253,
&end
#
# 79 ILE QD1 81 VAL QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1213,1214,1215,
igr2=1251,1252,1253,
&end
#
# 12 ILE QD1 81 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 193, 194, 195,
igr2=1251,1252,1253,
&end
#
# 37 VAL H 37 VAL QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 571, 572, 573,
&end
#
# 26 ALA H 37 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 571, 572, 573,
&end
#
# 24 LEU H 37 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 571, 572, 573,
&end
#
# 37 VAL QG2 54 VAL HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 571, 572, 573,
&end
#
# 36 GLU HA 37 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 571, 572, 573,
&end
#
# 37 VAL HA 37 VAL QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 571, 572, 573,
&end
#
# 25 GLU HA 37 VAL QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 571, 572, 573,
&end
#
# 34 ILE HB 37 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 571, 572, 573,
&end
#
# 34 ILE HG13 37 VAL QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 571, 572, 573,
&end
#
# 34 ILE QG2 37 VAL QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 517, 518, 519,
igr2= 571, 572, 573,
&end
#
# 54 VAL H 54 VAL QG1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 853, 854, 855,
&end
#
# 28 PHE QD 54 VAL QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 418, 426,
igr2= 853, 854, 855,
&end
#
# 54 VAL HA 54 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 853, 854, 855,
&end
#
# 37 VAL HA 54 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 853, 854, 855,
&end
#
# 25 GLU HA 54 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 853, 854, 855,
&end
#
# 28 PHE HB3 54 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 853, 854, 855,
&end
#
# 28 PHE HB2 54 VAL QG1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 853, 854, 855,
&end
#
# 10 LEU HB3 54 VAL QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 853, 854, 855,
&end
#
# 37 VAL QG2 54 VAL QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 571, 572, 573,
igr2= 853, 854, 855,
&end
#
# 12 ILE QG2 54 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 186, 187, 188,
igr2= 853, 854, 855,
&end
#
# 10 LEU H 55 THR QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 869, 870, 871,
&end
#
# 55 THR QG2 56 PHE H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 869, 870, 871,
&end
#
# 9 LYS H 55 THR QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 869, 870, 871,
&end
#
# 36 GLU H 55 THR QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 869, 870, 871,
&end
#
# 55 THR HA 55 THR QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 869, 870, 871,
&end
#
# 55 THR QG2 56 PHE HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 869, 870, 871,
&end
#
# 9 LYS HB2 55 THR QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 869, 870, 871,
&end
#
# 55 THR QG2 62 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 869, 870, 871,
igr2= 963, 964, 965,
&end
#
# 55 THR QG2 56 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 869, 870, 871,
&end
#
# 2 VAL QG1 3 GLU HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 27, 28, 29,
&end
#
# 10 LEU H 54 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 853, 854, 855,
&end
#
# 38 LEU H 54 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 853, 854, 855,
&end
#
# 54 VAL QG1 55 THR H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 853, 854, 855,
&end
#
# 54 VAL QG1 56 PHE QR 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 853, 854, 855,
igr2= 885, 893, 887, 891,
&end
#
# 28 PHE QE 54 VAL QG1 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 420, 424,
igr2= 853, 854, 855,
&end
#
# 28 PHE H 54 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 857, 858, 859,
&end
#
# 54 VAL HA 54 VAL QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 857, 858, 859,
&end
#
# 37 VAL HA 54 VAL QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 857, 858, 859,
&end
#
# 34 ILE HA 54 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 857, 858, 859,
&end
#
# 28 PHE HB3 54 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 857, 858, 859,
&end
#
# 34 ILE HG13 54 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 857, 858, 859,
&end
#
# 37 VAL QG2 54 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 571, 572, 573,
igr2= 857, 858, 859,
&end
#
# 12 ILE QD1 54 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 193, 194, 195,
igr2= 857, 858, 859,
&end
#
# 34 ILE HG12 54 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 857, 858, 859,
&end
#
# 45 THR H 45 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 711, 712, 713,
&end
#
# 45 THR QG2 47 LYS QE 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 711, 712, 713,
igr2= 746, 747,
&end
#
# 45 THR QG2 46 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 711, 712, 713,
&end
#
# 44 GLU QB 45 THR QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 694, 695,
igr2= 711, 712, 713,
&end
#
# 8 GLY HA3 55 THR QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 869, 870, 871,
&end
#
# 35 VAL QG1 36 GLU H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 536, 537, 538,
&end
#
# 2 VAL QG1 3 GLU H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 27, 28, 29,
&end
#
# 2 VAL H 2 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 27, 28, 29,
&end
#
# 21 GLU H 37 VAL QG1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 567, 568, 569,
&end
#
# 37 VAL QG1 38 LEU H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 567, 568, 569,
&end
#
# 37 VAL H 37 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 567, 568, 569,
&end
#
# 24 LEU H 37 VAL QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 567, 568, 569,
&end
#
# 37 VAL QG1 38 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 567, 568, 569,
&end
#
# 37 VAL QG1 54 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 567, 568, 569,
&end
#
# 37 VAL HA 37 VAL QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 567, 568, 569,
&end
#
# 22 LYS HA 37 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 567, 568, 569,
&end
#
# 21 GLU HA 37 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 567, 568, 569,
&end
#
# 21 GLU HG3 37 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 567, 568, 569,
&end
#
# 25 GLU HG3 37 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 567, 568, 569,
&end
#
# 37 VAL QG1 39 LEU HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 567, 568, 569,
&end
#
# 24 LEU HG 37 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 567, 568, 569,
&end
#
# 37 VAL QG1 39 LEU HG 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 567, 568, 569,
&end
#
# 10 LEU H 54 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 857, 858, 859,
&end
#
# 54 VAL QG2 55 THR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 857, 858, 859,
&end
#
# 54 VAL H 54 VAL QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 857, 858, 859,
&end
#
# 28 PHE QD 54 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 418, 426,
igr2= 857, 858, 859,
&end
#
# 54 VAL QG2 56 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 857, 858, 859,
&end
#
# 25 GLU HA 54 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 857, 858, 859,
&end
#
# 28 PHE HB2 54 VAL QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 857, 858, 859,
&end
#
# 35 VAL H 35 VAL QG1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 536, 537, 538,
&end
#
# 35 VAL QG1 57 GLU H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 536, 537, 538,
&end
#
# 33 ARG QD 35 VAL QG1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 497, 498,
igr2= 536, 537, 538,
&end
#
# 27 VAL QG2 28 PHE H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 404, 405, 406,
&end
#
# 26 ALA H 27 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 404, 405, 406,
&end
#
# 27 VAL H 27 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 404, 405, 406,
&end
#
# 27 VAL QG2 28 PHE QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 404, 405, 406,
igr2= 418, 426,
&end
#
# 27 VAL QG2 31 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 404, 405, 406,
igr2= 467, 476,
&end
#
# 27 VAL QG2 28 PHE QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 404, 405, 406,
igr2= 420, 424,
&end
#
# 27 VAL QG2 28 PHE HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 404, 405, 406,
&end
#
# 24 LEU HA 27 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 404, 405, 406,
&end
#
# 27 VAL HA 27 VAL QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 404, 405, 406,
&end
#
# 27 VAL QG2 28 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 404, 405, 406,
&end
#
# 27 VAL QG2 69 MET QG 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 404, 405, 406,
igr2=1066,1067,
&end
#
# 27 VAL QG2 74 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 404, 405, 406,
&end
#
# 19 THR QG2 27 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 281, 282, 283,
igr2= 404, 405, 406,
&end
#
# 27 VAL QG2 74 LEU QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 404, 405, 406,
igr2=1139,1140,1141,
&end
#
# 2 VAL QG2 3 GLU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 31, 32, 33,
&end
#
# 2 VAL H 2 VAL QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 31, 32, 33,
&end
#
# 2 VAL HA 2 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 31, 32, 33,
&end
#
# 2 VAL QG2 3 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 31, 32, 33,
igr2= 44, 45,
&end
#
# 65 ALA QB 68 ASP HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1007,1008,1009,
&end
#
# 65 ALA QB 69 MET QG 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1007,1008,1009,
igr2=1066,1067,
&end
#
# 62 ALA QB 65 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 963, 964, 965,
igr2=1007,1008,1009,
&end
#
# 10 LEU QD2 65 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 154, 155, 156,
igr2=1007,1008,1009,
&end
#
# 65 ALA QB 66 ALA H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1007,1008,1009,
&end
#
# 65 ALA H 65 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1007,1008,1009,
&end
#
# 28 PHE QE 65 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 420, 424,
igr2=1007,1008,1009,
&end
#
# 31 TYR HA 65 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1007,1008,1009,
&end
#
# 63 LYS HA 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1007,1008,1009,
&end
#
# 65 ALA QB 66 ALA HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1007,1008,1009,
&end
#
# 31 TYR HB3 65 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1007,1008,1009,
&end
#
# 31 TYR HB2 65 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1007,1008,1009,
&end
#
# 65 ALA QB 68 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1007,1008,1009,
&end
#
# 65 ALA QB 69 MET HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1007,1008,1009,
&end
#
# 54 VAL QG1 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 853, 854, 855,
igr2=1007,1008,1009,
&end
#
# 54 VAL QG2 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 857, 858, 859,
igr2=1007,1008,1009,
&end
#
# 35 VAL H 35 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 540, 541, 542,
&end
#
# 35 VAL QG2 57 GLU H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 540, 541, 542,
&end
#
# 35 VAL QG2 36 GLU H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 540, 541, 542,
&end
#
# 35 VAL QG2 56 PHE HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 540, 541, 542,
&end
#
# 35 VAL HA 35 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 540, 541, 542,
&end
#
# 35 VAL QG2 57 GLU HA 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 540, 541, 542,
&end
#
# 33 ARG QD 35 VAL QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 497, 498,
igr2= 540, 541, 542,
&end
#
# 35 VAL QG2 57 GLU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 540, 541, 542,
&end
#
# 35 VAL QG2 36 GLU HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 540, 541, 542,
&end
#
# 35 VAL QG2 55 THR QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 540, 541, 542,
igr2= 869, 870, 871,
&end
#
# 10 LEU H 84 ALA QB 5.48
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1293,1294,1295,
&end
#
# 84 ALA H 84 ALA QB 3.80
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1293,1294,1295,
&end
#
# 5 ASP H 84 ALA QB 5.25
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1293,1294,1295,
&end
#
# 83 GLN HE22 84 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1293,1294,1295,
&end
#
# 83 GLN HE21 84 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1293,1294,1295,
&end
#
# 53 PHE QD 84 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 835, 843,
igr2=1293,1294,1295,
&end
#
# 9 LYS HA 84 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1293,1294,1295,
&end
#
# 83 GLN HA 84 ALA QB 4.32
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1293,1294,1295,
&end
#
# 9 LYS HB3 84 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1293,1294,1295,
&end
#
# 9 LYS HG2 84 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1293,1294,1295,
&end
#
# 4 ALA QB 83 GLN HE21 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 56, 57, 58,
&end
#
# 12 ILE QG2 13 GLY H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 186, 187, 188,
&end
#
# 12 ILE QG2 52 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 186, 187, 188,
&end
#
# 12 ILE QG2 80 LYS H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 186, 187, 188,
&end
#
# 12 ILE H 12 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 186, 187, 188,
&end
#
# 12 ILE QG2 28 PHE HZ 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 186, 187, 188,
&end
#
# 12 ILE QG2 51 PHE HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 186, 187, 188,
&end
#
# 12 ILE HA 12 ILE QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 186, 187, 188,
&end
#
# 12 ILE QG2 79 ILE HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 186, 187, 188,
&end
#
# 12 ILE QG2 79 ILE QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 186, 187, 188,
igr2=1210,1211,
&end
#
# 12 ILE QG2 15 LEU HG 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 186, 187, 188,
&end
#
# 12 ILE QG2 81 VAL QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 186, 187, 188,
igr2=1251,1252,1253,
&end
#
# 12 ILE QG2 79 ILE QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 186, 187, 188,
igr2=1206,1207,1208,
&end
#
# 12 ILE QG2 15 LEU QD2 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 186, 187, 188,
igr2= 226, 227, 228,
&end
#
# 12 ILE QG2 15 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 186, 187, 188,
igr2= 222, 223, 224,
&end
#
# 3 GLU H 4 ALA QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 56, 57, 58,
&end
#
# 4 ALA H 4 ALA QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 56, 57, 58,
&end
#
# 4 ALA QB 83 GLN HE22 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 56, 57, 58,
&end
#
# 4 ALA QB 85 THR HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 56, 57, 58,
&end
#
# 4 ALA QB 5 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 56, 57, 58,
&end
#
# 3 GLU HA 4 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 56, 57, 58,
&end
#
# 4 ALA QB 83 GLN HG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 56, 57, 58,
&end
#
# 2 VAL QG1 4 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 27, 28, 29,
igr2= 56, 57, 58,
&end
#
# 19 THR H 23 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 20 ASN HB3 23 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 21 GLU H 23 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 23 ALA QB 25 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 344, 345, 346,
&end
#
# 20 ASN H 23 ALA QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 344, 345, 346,
&end
#
# 23 ALA H 23 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 344, 345, 346,
&end
#
# 23 ALA QB 24 LEU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 344, 345, 346,
&end
#
# 20 ASN HA 23 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 23 ALA QB 24 LEU HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 344, 345, 346,
&end
#
# 19 THR HA 23 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 344, 345, 346,
&end
#
# 21 GLU HA 23 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 20 ASN HB2 23 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 23 ALA QB 24 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 344, 345, 346,
igr2= 359, 360, 361,
&end
#
# 56 PHE H 62 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 963, 964, 965,
&end
#
# 62 ALA QB 66 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 963, 964, 965,
&end
#
# 62 ALA QB 63 LYS H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 963, 964, 965,
&end
#
# 62 ALA H 62 ALA QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 963, 964, 965,
&end
#
# 9 LYS HA 62 ALA QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 963, 964, 965,
&end
#
# 32 GLY HA3 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 963, 964, 965,
&end
#
# 59 PRO HA 62 ALA QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 963, 964, 965,
&end
#
# 56 PHE HB2 62 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 963, 964, 965,
&end
#
# 61 ASP HB2 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 963, 964, 965,
&end
#
# 59 PRO HB3 62 ALA QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 963, 964, 965,
&end
#
# 10 LEU HG 62 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 963, 964, 965,
&end
#
# 62 ALA QB 63 LYS HG3 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 963, 964, 965,
&end
#
# 10 LEU QD2 62 ALA QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 154, 155, 156,
igr2= 963, 964, 965,
&end
#
# 54 VAL QG2 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 857, 858, 859,
igr2= 963, 964, 965,
&end
#
# 16 ASN H 79 ILE QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1206,1207,1208,
&end
#
# 74 LEU H 79 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1206,1207,1208,
&end
#
# 79 ILE QG2 80 LYS H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1206,1207,1208,
&end
#
# 79 ILE H 79 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1206,1207,1208,
&end
#
# 28 PHE HZ 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1206,1207,1208,
&end
#
# 15 LEU HA 79 ILE QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1206,1207,1208,
&end
#
# 77 LYS HB3 79 ILE QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1206,1207,1208,
&end
#
# 79 ILE QG2 79 ILE QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1206,1207,1208,
igr2=1210,1211,
&end
#
# 15 LEU HG 79 ILE QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1206,1207,1208,
&end
#
# 15 LEU QD1 79 ILE QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 222, 223, 224,
igr2=1206,1207,1208,
&end
#
# 26 ALA H 26 ALA QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 388, 389, 390,
&end
#
# 26 ALA QB 27 VAL H 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 388, 389, 390,
&end
#
# 23 ALA HA 26 ALA QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 388, 389, 390,
&end
#
# 25 GLU HG3 26 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 388, 389, 390,
&end
#
# 25 GLU QB 26 ALA QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 373, 374,
igr2= 388, 389, 390,
&end
#
# 26 ALA QB 27 VAL HB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 388, 389, 390,
&end
#
# 22 LYS QD 26 ALA QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 328, 329,
igr2= 388, 389, 390,
&end
#
# 26 ALA QB 27 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 388, 389, 390,
igr2= 404, 405, 406,
&end
#
# 60 ALA QB 62 ALA H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 941, 942, 943,
&end
#
# 58 SER HA 60 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 941, 942, 943,
&end
#
# 60 ALA QB 61 ASP HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 941, 942, 943,
&end
#
# 60 ALA QB 63 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 941, 942, 943,
igr2= 982, 983,
&end
#
# 60 ALA QB 64 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 941, 942, 943,
&end
#
# 60 ALA QB 63 LYS QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 941, 942, 943,
igr2= 973, 974,
&end
#
# 60 ALA QB 63 LYS QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 941, 942, 943,
igr2= 979, 980,
&end
#
# 60 ALA QB 63 LYS HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 941, 942, 943,
&end
#
# 34 ILE QG2 56 PHE HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 517, 518, 519,
&end
#
# 34 ILE QG2 54 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 517, 518, 519,
&end
#
# 25 GLU HA 34 ILE QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 517, 518, 519,
&end
#
# 34 ILE QG2 37 VAL HB 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 517, 518, 519,
&end
#
# 34 ILE QG2 55 THR QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 517, 518, 519,
igr2= 869, 870, 871,
&end
#
# 34 ILE QG2 35 VAL H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 517, 518, 519,
&end
#
# 34 ILE QG2 37 VAL H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 517, 518, 519,
&end
#
# 34 ILE QG2 57 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 517, 518, 519,
&end
#
# 34 ILE QG2 36 GLU H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 517, 518, 519,
&end
#
# 34 ILE QG2 55 THR HB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 517, 518, 519,
&end
#
# 25 GLU HG3 34 ILE QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 517, 518, 519,
&end
#
# 25 GLU HG2 34 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 517, 518, 519,
&end
#
# 34 ILE QG2 35 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 517, 518, 519,
igr2= 540, 541, 542,
&end
#
# 34 ILE QG2 54 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 517, 518, 519,
igr2= 857, 858, 859,
&end
#
# 34 ILE QG2 34 ILE HG12 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 517, 518, 519,
&end
#
# 26 ALA QB 29 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 388, 389, 390,
&end
#
# 74 LEU H 78 ALA QB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1194,1195,1196,
&end
#
# 78 ALA H 78 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1194,1195,1196,
&end
#
# 73 SER H 78 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1194,1195,1196,
&end
#
# 77 LYS HA 78 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1194,1195,1196,
&end
#
# 71 GLY HA2 78 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1194,1195,1196,
&end
#
# 73 SER HB2 78 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1194,1195,1196,
&end
#
# 77 LYS HB3 78 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1194,1195,1196,
&end
#
# 78 ALA QB 79 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1194,1195,1196,
igr2=1206,1207,1208,
&end
#
# 66 ALA QB 82 GLU H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1017,1018,1019,
&end
#
# 66 ALA QB 83 GLN H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1017,1018,1019,
&end
#
# 66 ALA H 66 ALA QB 3.11
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1017,1018,1019,
&end
#
# 66 ALA QB 67 ARG H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1017,1018,1019,
&end
#
# 10 LEU HA 66 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=1017,1018,1019,
&end
#
# 66 ALA QB 82 GLU HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1017,1018,1019,
&end
#
# 66 ALA QB 83 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1017,1018,1019,
&end
#
# 66 ALA QB 81 VAL HB 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1017,1018,1019,
&end
#
# 66 ALA QB 67 ARG HG3 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1017,1018,1019,
&end
#
# 10 LEU HB3 66 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1017,1018,1019,
&end
#
# 62 ALA QB 66 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 963, 964, 965,
igr2=1017,1018,1019,
&end
#
# 65 ALA QB 66 ALA QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1007,1008,1009,
igr2=1017,1018,1019,
&end
#
# 66 ALA QB 81 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1017,1018,1019,
igr2=1247,1248,1249,
&end
#
# 10 LEU QD2 66 ALA QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 154, 155, 156,
igr2=1017,1018,1019,
&end
#
# 66 ALA QB 81 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1017,1018,1019,
&end
#
# 1 MET QE 2 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 15, 16, 17,
&end
#
# 40 MET QE 41 LYS H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 626, 627, 628,
&end
#
# 40 MET H 40 MET QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 626, 627, 628,
&end
#
# 40 MET QE 51 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 626, 627, 628,
igr2= 807, 811,
&end
#
# 40 MET QE 51 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 626, 627, 628,
&end
#
# 40 MET QE 41 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 626, 627, 628,
&end
#
# 38 LEU HA 40 MET QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 626, 627, 628,
&end
#
# 40 MET QE 49 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 626, 627, 628,
&end
#
# 40 MET QE 41 LYS QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 626, 627, 628,
igr2= 645, 646,
&end
#
# 40 MET HG2 40 MET QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 626, 627, 628,
&end
#
# 39 LEU HB3 40 MET QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 626, 627, 628,
&end
#
# 38 LEU HG 40 MET QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 626, 627, 628,
&end
#
# 40 MET HB3 40 MET QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 626, 627, 628,
&end
#
# 40 MET HB2 40 MET QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 626, 627, 628,
&end
#
# 38 LEU QD2 40 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 590, 591, 592,
igr2= 626, 627, 628,
&end
#
# 1 MET QG 1 MET QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 1 MET HA 1 MET QE 5.28
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 15, 16, 17,
&end
#
# 1 MET QE 3 GLU HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 2 VAL QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 15, 16, 17,
igr2= 31, 32, 33,
&end
#
# 69 MET QE 71 GLY H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1070,1071,1072,
&end
#
# 69 MET H 69 MET QE 4.93
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1070,1071,1072,
&end
#
# 69 MET QE 73 SER H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1070,1071,1072,
&end
#
# 28 PHE HZ 69 MET QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1070,1071,1072,
&end
#
# 69 MET HA 69 MET QE 3.78
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1070,1071,1072,
&end
#
# 69 MET QE 72 LYS HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1070,1071,1072,
&end
#
# 69 MET QG 69 MET QE 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1066,1067,
igr2=1070,1071,1072,
&end
#
# 69 MET HB3 69 MET QE 3.28
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1070,1071,1072,
&end
#
# 69 MET QE 72 LYS HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1070,1071,1072,
&end
#
# 69 MET QE 81 VAL QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1070,1071,1072,
igr2=1251,1252,1253,
&end
#
# 69 MET QE 74 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1070,1071,1072,
igr2=1143,1144,1145,
&end
#
# 69 MET QE 79 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1070,1071,1072,
igr2=1213,1214,1215,
&end
#
# 27 VAL QG2 69 MET QE 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 404, 405, 406,
igr2=1070,1071,1072,
&end
#
# 69 MET QE 72 LYS H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1070,1071,1072,
&end
#
# 78 ALA HA 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 15 LEU HA 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 74 LEU H 79 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1213,1214,1215,
&end
#
# 72 LYS H 79 ILE QD1 5.38
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1213,1214,1215,
&end
#
# 15 LEU H 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1213,1214,1215,
&end
#
# 79 ILE QD1 81 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1213,1214,1215,
&end
#
# 79 ILE HA 79 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1213,1214,1215,
&end
#
# 69 MET QG 79 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=1066,1067,
igr2=1213,1214,1215,
&end
#
# 69 MET HB3 79 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1213,1214,1215,
&end
#
# 79 ILE HB 79 ILE QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1213,1214,1215,
&end
#
# 79 ILE QG2 79 ILE QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1206,1207,1208,
igr2=1213,1214,1215,
&end
#
# 12 ILE QD1 79 ILE QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 193, 194, 195,
igr2=1213,1214,1215,
&end
#
# 10 LEU H 12 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 193, 194, 195,
&end
#
# 12 ILE QD1 82 GLU H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 193, 194, 195,
&end
#
# 12 ILE QD1 13 GLY H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 193, 194, 195,
&end
#
# 12 ILE QD1 54 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 193, 194, 195,
&end
#
# 12 ILE QD1 53 PHE HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 193, 194, 195,
&end
#
# 12 ILE QD1 81 VAL HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 193, 194, 195,
&end
#
# 10 LEU HA 12 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 193, 194, 195,
&end
#
# 12 ILE HA 12 ILE QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 193, 194, 195,
&end
#
# 11 PHE HA 12 ILE QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 193, 194, 195,
&end
#
# 10 LEU HB3 12 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 193, 194, 195,
&end
#
# 12 ILE QD1 54 VAL HB 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 193, 194, 195,
&end
#
# 10 LEU HB2 12 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 193, 194, 195,
&end
#
# 12 ILE QD1 81 VAL QG1 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 193, 194, 195,
igr2=1247,1248,1249,
&end
#
# 12 ILE QG2 12 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 186, 187, 188,
igr2= 193, 194, 195,
&end
#
# 12 ILE QD1 54 VAL QG1 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 193, 194, 195,
igr2= 853, 854, 855,
&end
#
# 11 PHE H 12 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 193, 194, 195,
&end
#
# 12 ILE H 12 ILE QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 193, 194, 195,
&end
#
# 34 ILE QD1 56 PHE QR 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 524, 525, 526,
igr2= 885, 893, 887, 891,
&end
#
# 30 LYS H 34 ILE QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 524, 525, 526,
&end
#
# 28 PHE HA 34 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 524, 525, 526,
&end
#
# 25 GLU HG3 34 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 524, 525, 526,
&end
#
# 25 GLU QB 34 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 373, 374,
igr2= 524, 525, 526,
&end
#
# 34 ILE QD1 37 VAL QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 524, 525, 526,
igr2= 571, 572, 573,
&end
#
# 34 ILE QD1 54 VAL HB 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 524, 525, 526,
&end
#
# 24 LEU QD2 34 ILE QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 363, 364, 365,
igr2= 524, 525, 526,
&end
#
# 31 TYR H 31 TYR QD 2.79
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 467, 476,
&end
#
# 28 PHE HA 31 TYR QD 2.68
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 467, 476,
&end
#
# 31 TYR HA 31 TYR QD 2.87
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 467, 476,
&end
#
# 28 PHE HB3 31 TYR QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 467, 476,
&end
#
# 31 TYR QD 68 ASP HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 467, 476,
&end
#
# 31 TYR QD 65 ALA HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 467, 476,
&end
#
# 30 LYS HB2 31 TYR QD 3.99
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 467, 476,
&end
#
# 31 TYR QD 65 ALA QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 467, 476,
igr2=1007,1008,1009,
&end
#
# 51 PHE QD 52 ALA H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 805, 813,
&end
#
# 51 PHE H 51 PHE QD 2.68
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 805, 813,
&end
#
# 11 PHE QE 51 PHE QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 170, 174,
igr2= 805, 813,
&end
#
# 51 PHE QD 52 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 805, 813,
&end
#
# 49 ARG HB2 51 PHE QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 805, 813,
&end
#
# 89 PHE HA 89 PHE QD 3.64
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1368,1376,
&end
#
# 89 PHE H 89 PHE QD 4.04
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1368,1376,
&end
#
# 87 PRO HB3 89 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1368,1376,
&end
#
# 53 PHE QD 54 VAL H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 835, 843,
&end
#
# 53 PHE H 53 PHE QD 3.26
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 835, 843,
&end
#
# 53 PHE QD 53 PHE HZ 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 835, 843,
&end
#
# 53 PHE HA 53 PHE QD 3.17
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 835, 843,
&end
#
# 52 ALA HA 53 PHE QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 835, 843,
&end
#
# 11 PHE HA 53 PHE QD 3.43
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 835, 843,
&end
#
# 40 MET HG2 53 PHE QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 835, 843,
&end
#
# 38 LEU HB3 53 PHE QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 835, 843,
&end
#
# 9 LYS QD 53 PHE QD 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 129, 130,
igr2= 835, 843,
&end
#
# 38 LEU HB2 53 PHE QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 835, 843,
&end
#
# 9 LYS HG2 53 PHE QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 835, 843,
&end
#
# 38 LEU QD2 53 PHE QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 590, 591, 592,
igr2= 835, 843,
&end
#
# 38 LEU H 53 PHE QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 835, 843,
&end
#
# 28 PHE H 28 PHE QD 3.02
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 418, 426,
&end
#
# 28 PHE HA 28 PHE QD 3.24
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 418, 426,
&end
#
# 24 LEU HA 28 PHE QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 418, 426,
&end
#
# 24 LEU HB2 28 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 418, 426,
&end
#
# 28 PHE QD 65 ALA QB 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 418, 426,
igr2=1007,1008,1009,
&end
#
# 49 ARG HD2 51 PHE QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 807, 811,
&end
#
# 40 MET HG3 51 PHE QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 807, 811,
&end
#
# 40 MET HB3 51 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 807, 811,
&end
#
# 49 ARG HB2 51 PHE QE 3.36
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 807, 811,
&end
#
# 56 PHE H 56 PHE QR 3.24
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 885, 893, 887, 891,
&end
#
# 56 PHE QR 57 GLU H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 885, 893, 887, 891,
&end
#
# 32 GLY HA3 56 PHE QR 3.85
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 885, 893, 887, 891,
&end
#
# 56 PHE HA 56 PHE QR 3.52
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 885, 893, 887, 891,
&end
#
# 31 TYR HA 56 PHE QR 4.37
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 885, 893, 887, 891,
&end
#
# 31 TYR HB3 56 PHE QR 3.04
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 885, 893, 887, 891,
&end
#
# 56 PHE QR 61 ASP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 885, 893, 887, 891,
&end
#
# 10 LEU HG 56 PHE QR 3.49
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 885, 893, 887, 891,
&end
#
# 10 LEU HB3 56 PHE QR 4.21
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 885, 893, 887, 891,
&end
#
# 56 PHE QR 62 ALA QB 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 885, 893, 887, 891,
igr2= 963, 964, 965,
&end
#
# 54 VAL HB 56 PHE QR 3.95
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 885, 893, 887, 891,
&end
#
# 10 LEU QD1 56 PHE QR 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 150, 151, 152,
igr2= 885, 893, 887, 891,
&end
#
# 10 LEU QD2 56 PHE QR 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 154, 155, 156,
igr2= 885, 893, 887, 891,
&end
#
# 54 VAL QG2 56 PHE QR 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 857, 858, 859,
igr2= 885, 893, 887, 891,
&end
#
# 34 ILE HG12 56 PHE QR 3.91
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 885, 893, 887, 891,
&end
#
# 87 PRO HB3 89 PHE QE 4.41
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1370,1374,
&end
#
# 10 LEU QD1 28 PHE QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 150, 151, 152,
igr2= 418, 426,
&end
#
# 12 ILE QD1 28 PHE QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 193, 194, 195,
igr2= 418, 426,
&end
#
# 24 LEU HA 28 PHE QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 420, 424,
&end
#
# 28 PHE QE 69 MET QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 420, 424,
igr2=1066,1067,
&end
#
# 28 PHE QE 69 MET HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 420, 424,
&end
#
# 28 PHE QE 69 MET HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 420, 424,
&end
#
# 28 PHE QE 81 VAL QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 420, 424,
igr2=1251,1252,1253,
&end
#
# 28 PHE QE 81 VAL QG1 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 420, 424,
igr2=1247,1248,1249,
&end
#
# 12 ILE QG2 28 PHE QE 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 186, 187, 188,
igr2= 420, 424,
&end
#
# 12 ILE QD1 28 PHE QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 193, 194, 195,
igr2= 420, 424,
&end
#
# 11 PHE QE 13 GLY H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 170, 174,
&end
#
# 11 PHE QE 13 GLY HA2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 170, 174,
&end
#
# 11 PHE QE 51 PHE HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 170, 174,
&end
#
# 11 PHE QE 80 LYS QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 170, 174,
igr2=1232,1233,
&end
#
# 11 PHE QE 51 PHE HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 170, 174,
&end
#
# 11 PHE QE 80 LYS QD 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 170, 174,
igr2=1229,1230,
&end
#
# 11 PHE H 11 PHE QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 168, 176,
&end
#
# 11 PHE HA 11 PHE QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 168, 176,
&end
#
# 11 PHE QD 80 LYS QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 168, 176,
igr2=1229,1230,
&end
#
# 11 PHE QD 82 GLU H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 168, 176,
&end
#
# 11 PHE QD 53 PHE QE 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 168, 176,
igr2= 837, 841,
&end
#
# 11 PHE QD 81 VAL HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 168, 176,
&end
#
# 11 PHE QD 82 GLU QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 168, 176,
igr2=1264,1265,
&end
#
# 11 PHE QD 82 GLU HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 168, 176,
&end
#
# 28 PHE QE 69 MET QE 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 420, 424,
igr2=1070,1071,1072,
&end
#
# 11 PHE HA 53 PHE QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 837, 841,
&end
#
# 40 MET HG3 53 PHE QE 3.65
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 837, 841,
&end
#
# 40 MET HG2 53 PHE QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 837, 841,
&end
#
# 87 PRO HB3 89 PHE HZ 4.65
&rst
ixpk= 0, nxpk= 0, iat=1343,1372, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 28 PHE HZ 69 MET HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 422,1064, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 51 PHE QD 51 PHE HZ 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 805, 813,
&end
#
# 40 MET HG3 51 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat= 623, 809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 MET HG2 51 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 622, 809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 MET HB2 51 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 619, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE QD 28 PHE HZ 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 418, 426,
&end
#
# 28 PHE HZ 81 VAL QG2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1251,1252,1253,
&end
#
# 28 PHE HZ 79 ILE QD1 3.09
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1213,1214,1215,
&end
#
# 12 ILE QD1 28 PHE HZ 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 193, 194, 195,
&end
#
# 28 PHE HZ 69 MET HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 422,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HZ 13 GLY H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 172, 199, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 11 PHE QD 11 PHE HZ 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 168, 176,
&end
#
# 11 PHE HZ 13 GLY HA3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 172, 202, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 11 PHE HZ 51 PHE HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 172, 801, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 11 PHE HZ 13 GLY HA2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 172, 201, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 51 PHE QE 53 PHE HZ 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 807, 811,
&end
#
# 31 TYR QE 68 ASP HB3 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 469, 474,
&end
#
# 31 TYR QE 69 MET QG 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 469, 474,
igr2=1066,1067,
&end
#
# 31 TYR QE 69 MET QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 469, 474,
igr2=1070,1071,1072,
&end
#
# 30 LYS HB2 31 TYR QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 469, 474,
&end
#
# 31 TYR QE 65 ALA QB 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 469, 474,
igr2=1007,1008,1009,
&end
#
# 27 VAL QG2 31 TYR QE 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 404, 405, 406,
igr2= 469, 474,
&end
#
# 31 TYR QE 69 MET H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 469, 474,
&end
#
# 96 RADE H1' 96 RADE H8 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1477,1480, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 96 RADE H2' 96 RADE H8 4.90 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1495,1480, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 96 RADE H3' 96 RADE H8 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1493,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 RADE H4' 96 RADE H8 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1474,1480, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 96 RADE H5' 96 RADE H8 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1471,1480, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 96 RADE H5" 96 RADE H8 5.50 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1472,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 RADE H1' 96 RADE H2 5.50 (#make )
&rst
ixpk= 0, nxpk= 0, iat=1477,1489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 RADE H2' 96 RADE H2 5.30 (#make )
&rst
ixpk= 0, nxpk= 0, iat=1495,1489, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 96 RADE H1' 97 URA H6 5.10 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1477,1513, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 96 RADE H2' 97 URA H6 4.50 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1495,1513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 RADE H3' 97 URA H6 4.50 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1493,1513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 RADE H8 97 URA H6 5.50 (#, )
&rst
ixpk= 0, nxpk= 0, iat=1480,1513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 RADE H8 97 URA H2' 6.00 (#make )
&rst
ixpk= 0, nxpk= 0, iat=1480,1525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 RADE H8 97 URA H3' 5.40 (#make )
&rst
ixpk= 0, nxpk= 0, iat=1480,1523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 96 RADE H2 97 URA H1' 5.20 (#make )
&rst
ixpk= 0, nxpk= 0, iat=1489,1510, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 96 RADE H2 97 URA H2' 6.00 (#very )
&rst
ixpk= 0, nxpk= 0, iat=1489,1525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 RADE H2 97 URA H6 5.80 (#new, )
&rst
ixpk= 0, nxpk= 0, iat=1489,1513, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 97 URA H6 97 URA H1' 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1513,1510, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 97 URA H6 97 URA H2' 2.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1513,1525, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 97 URA H6 97 URA H3' 3.10 (#new )
&rst
ixpk= 0, nxpk= 0, iat=1513,1523, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 97 URA H6 97 URA H4' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1513,1507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 URA H6 97 URA H5' 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1513,1504, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 97 URA H6 97 URA H5" 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1513,1505, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 97 URA H3' 98 RCYT H6 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1523,1543, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 98 RCYT H6 98 RCYT H2' 2.90 (# )
&rst
ixpk= 0, nxpk= 0, iat=1543,1556, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 98 RCYT H6 98 RCYT H3' 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1543,1554, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 98 RCYT H6 98 RCYT H4' 3.70 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1543,1537, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 98 RCYT H6 98 RCYT H5' 4.00 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1543,1534, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 RCYT H6 98 RCYT H5" 3.90 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1543,1535, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 98 RCYT H2' 99 RADE H2 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1556,1583, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 99 RADE H8 99 RADE H1' 2.50 (#overlap )
&rst
ixpk= 0, nxpk= 0, iat=1574,1571, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 99 RADE H8 99 RADE H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574,1589, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 RADE H8 99 RADE H3' 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574,1587, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 99 RADE H8 99 RADE H4' 5.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574,1568, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 99 RADE H1' 100 RADE H8 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1571,1607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 RADE H3' 100 RADE H8 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1587,1607, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 99 RADE H4' 100 RADE H8 5.50 (#(added )
&rst
ixpk= 0, nxpk= 0, iat=1568,1607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 RADE H8 100 RADE H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574,1607, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 RADE H1' 100 RADE H8 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1604,1607, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 100 RADE H2' 100 RADE H8 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1622,1607, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 RADE H3' 100 RADE H8 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620,1607, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 100 RADE H1' 100 RADE H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1604,1616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 RADE H3' 101 RADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1620,1640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 RADE H4' 101 RADE H8 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1601,1640, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 101 RADE H1' 101 RADE H8 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1637,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 RADE H2' 101 RADE H8 4.00 (#increased )
&rst
ixpk= 0, nxpk= 0, iat=1655,1640, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 RADE H3' 101 RADE H8 4.00 (#increased )
&rst
ixpk= 0, nxpk= 0, iat=1653,1640, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 RADE H4' 101 RADE H8 5.10 (# )
&rst
ixpk= 0, nxpk= 0, iat=1634,1640, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 101 RADE H5' 101 RADE H8 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1631,1640, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 101 RADE H5" 101 RADE H8 5.40 (#, )
&rst
ixpk= 0, nxpk= 0, iat=1632,1640, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 101 RADE H1' 101 RADE H2 4.90 (#, )
&rst
ixpk= 0, nxpk= 0, iat=1637,1649, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 99 RADE H8 84 ALA QB 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1293,1294,1295,
&end
#
# 99 RADE H8 85 THR QG2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1305,1306,1307,
&end
#
# 99 RADE H8 11 PHE QB 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 164, 165,
&end
#
# 99 RADE H8 87 PRO HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 RADE H8 53 PHE QE 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 837, 841,
&end
#
# 99 RADE H8 53 PHE QD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 835, 843,
&end
#
# 99 RADE H8 53 PHE HZ 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 RADE H8 51 PHE QE 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 807, 811,
&end
#
# 99 RADE H8 11 PHE QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 170, 174,
&end
#
# 99 RADE H8 11 PHE HZ 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1574, 172, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 99 RADE H8 84 ALA HA 5.50 (#(added )
&rst
ixpk= 0, nxpk= 0, iat=1574,1291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 RADE H2 11 PHE QE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 170, 174,
&end
#
# 99 RADE H2 11 PHE HZ 4.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1583, 172, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 99 RADE H1' 87 PRO HA 4.50 (#overlap )
&rst
ixpk= 0, nxpk= 0, iat=1571,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 RADE H1' 53 PHE QE 4.90 (#overlap )
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 837, 841,
&end
#
# 99 RADE H1' 11 PHE HZ 4.90 (#overlap )
&rst
ixpk= 0, nxpk= 0, iat=1571, 172, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 99 RADE H1' 53 PHE HZ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1571, 839, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 RADE H1' 51 PHE QE 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 807, 811,
&end
#
# 99 RADE H2' 88 SER QB 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1353,1354,
&end
#
# 99 RADE H3' 88 SER QB 3.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1353,1354,
&end
#
# 99 RADE H3' 51 PHE QE 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 807, 811,
&end
#
# 99 RADE H3' 51 PHE HZ 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1587, 809, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 99 RADE H4' 51 PHE QD 4.50 (#not )
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 805, 813,
&end
#
# 99 RADE H4' 51 PHE QE 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 807, 811,
&end
#
# 99 RADE H4' 51 PHE HZ 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1568, 809, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 99 RADE H4' 11 PHE QE 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 170, 174,
&end
#
# 99 RADE H4' 11 PHE HZ 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1568, 172, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 99 RADE H4' 53 PHE HZ 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1568, 839, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 100 RADE H8 87 PRO HB3 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1607,1343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 RADE H8 87 PRO HA 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1607,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 RADE H8 87 PRO HB2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1607,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 RADE H8 53 PHE QE 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 837, 841,
&end
#
# 100 RADE H8 51 PHE QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 807, 811,
&end
#
# 100 RADE H2 53 PHE HB3 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 RADE H2 53 PHE HB2 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 RADE H2 38 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 586, 587, 588,
&end
#
# 100 RADE H2 38 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 590, 591, 592,
&end
#
# 100 RADE H2 38 LEU HG 5.30 (#not )
&rst
ixpk= 0, nxpk= 0, iat=1616, 584, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 100 RADE H2 40 MET QE 5.40 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 626, 627, 628,
&end
#
# 100 RADE H2 38 LEU QB 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 581, 582,
&end
#
# 100 RADE H2 53 PHE QD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 835, 843,
&end
#
# 100 RADE H2 9 LYS HE3 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 RADE H2 9 LYS HE2 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, 132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 RADE H2 9 LYS QD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 129, 130,
&end
#
# 100 RADE H1' 40 MET QE 3.00
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 626, 627, 628,
&end
#
# 100 RADE H1' 40 MET HG3 5.40 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1604, 623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 100 RADE H1' 38 LEU QD1 5.20 (#not )
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 586, 587, 588,
&end
#
# 100 RADE H1' 38 LEU QD2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 590, 591, 592,
&end
#
# 100 RADE H1' 53 PHE QE 4.90 (# )
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 837, 841,
&end
#
# 100 RADE H1' 51 PHE QE 5.20 (#
)
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 807, 811,
&end
#
# 100 RADE H2' 87 PRO HB2 3.00 (#all )
&rst
ixpk= 0, nxpk= 0, iat=1622,1342, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 RADE H2' 87 PRO HB3 3.50 (#in )
&rst
ixpk= 0, nxpk= 0, iat=1622,1343, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 RADE H2' 87 PRO QG 4.8 (#in )
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1339,1340,
&end
#
# 100 RADE H2' 40 MET QE 5.00 (#in )
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 626, 627, 628,
&end
#
# 100 RADE H2' 87 PRO HA 4.80 (#(added )
&rst
ixpk= 0, nxpk= 0, iat=1622,1345, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 100 RADE H2' 89 PHE HZ 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1622,1372, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 100 RADE H2' 89 PHE QD 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1368,1376,
&end
#
# 100 RADE H2' 89 PHE QE 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1370,1374,
&end
#
# 100 RADE H2' 51 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622, 809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 RADE H2' 38 LEU QD1 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 586, 587, 588,
&end
#
# 100 RADE H3' 40 MET QE 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 626, 627, 628,
&end
#
# 100 RADE H3' 87 PRO HB3 5.00 (#not )
&rst
ixpk= 0, nxpk= 0, iat=1620,1343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 RADE H3' 87 PRO HB2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 RADE H3' 89 PHE QB 6.00 (#not )
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1364,1365,
&end
#
# 100 RADE H3' 87 PRO QG 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1339,1340,
&end
#
# 100 RADE H3' 51 PHE HZ 4.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620, 809, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 100 RADE H3' 51 PHE QE 5.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 807, 811,
&end
#
# 100 RADE H3' 89 PHE HZ 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620,1372, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 100 RADE H3' 89 PHE QE 3.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1370,1374,
&end
#
# 100 RADE H3' 89 PHE QD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1368,1376,
&end
#
# 100 RADE H4' 40 MET QE 3.60
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 626, 627, 628,
&end
#
# 100 RADE H4' 40 MET QG 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 622, 623,
&end
#
# 100 RADE H4' 51 PHE HZ 3.60 (# )
&rst
ixpk= 0, nxpk= 0, iat=1601, 809, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 100 RADE H4' 51 PHE QE 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 807, 811,
&end
#
# 100 RADE Q5' 51 PHE QD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1598,1599,
igr2= 805, 813,
&end
#
# 100 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=1598,1599,
igr2= 807, 811,
&end
#
# 100 RADE Q5' 51 PHE HZ 3.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1598,1599,
&end
#
# 100 RADE Q5' 40 MET QE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1598,1599,
igr2= 626, 627, 628,
&end
#
# 100 RADE Q5' 40 MET QG 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1598,1599,
igr2= 622, 623,
&end
#
# 101 RADE H8 89 PHE QE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1370,1374,
&end
#
# 101 RADE H8 89 PHE QD 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1368,1376,
&end
#
# 101 RADE H8 89 PHE HZ 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1640,1372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 RADE H2 89 PHE QB 4.00 (#not )
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1364,1365,
&end
#
# 101 RADE H2 89 PHE QD 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1368,1376,
&end
#
# 101 RADE H2 89 PHE QE 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1370,1374,
&end
#
# 101 RADE H1' 89 PHE QB 6.00 (#not )
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1364,1365,
&end
#
# 101 RADE H1' 89 PHE QD 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1368,1376,
&end
#
# 101 RADE H1' 89 PHE HZ 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1637,1372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 RADE H1' 89 PHE QE 4.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1370,1374,
&end
#
# 101 RADE H3' 40 MET QE 5.80 (# )
&rst
ixpk= 0, nxpk= 0, iat=1653, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 626, 627, 628,
&end
#
# 101 RADE H4' 40 MET QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 626, 627, 628,
&end
#
# 101 RADE H4' 89 PHE QE 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1370,1374,
&end
#
# 101 RADE H5' 40 MET QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 626, 627, 628,
&end
#
# 101 RADE H5' 89 PHE HZ 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat=1631,1372, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 101 RADE H5' 89 PHE QE 4.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1370,1374,
&end
#
# 101 RADE H5" 40 MET QE 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 626, 627, 628,
&end
#
# 101 RADE H5" 89 PHE HZ 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1632,1372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
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