NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
19847 |
2err   |
6895 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 48 LYS QE 43 ASN HND 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
rk2=32, rk3=32, ir6=1, ialtd=0,
igr1= 800, 801,
igr2= 725, 726,
&end
#
# 89 RU5 H6 89 RU5 H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1430,1427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 RU5 H6 89 RU5 H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1430,1442, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 RU5 H6 89 RU5 H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1430,1440, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU5 H6 89 RU5 H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1430,1424, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 PHE HE 89 RU5 H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 295,
&end
#
# 18 PHE HZ 89 RU5 H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 293,1427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 PHE HE 89 RU5 H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 291, 295,
&end
#
# 18 PHE HE 89 RU5 H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 291, 295,
&end
#
# 18 PHE HZ 89 RU5 H2' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 293,1442, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 PHE HZ 89 RU5 H3' 5.20
&rst
ixpk= 0, nxpk= 0, iat= 293,1440, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 18 PHE HD 89 RU5 H3' 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 289, 297,
&end
#
# 18 PHE HD 89 RU5 H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 289, 297,
&end
#
# 18 PHE HE 89 RU5 H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 295,
&end
#
# 18 PHE HD 89 RU5 H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 289, 297,
&end
#
# 84 THR QG 93 RU H3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1343,1344,1345,
&end
#
# 87 VAL HN 94 RG H1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1385,1594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 PHE HZ 94 RG H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 828,1604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ARG HB3 94 RG H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1366,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 ARG HB2 94 RG H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1365,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 PHE HZ 94 RG H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 828,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 PHE HE 94 RG H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 826, 830,
&end
#
# 52 PHE HD 94 RG H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 851, 859,
&end
#
# 50 PHE HE 94 RG H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 826, 830,
&end
#
# 86 ARG QG 94 RG H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1368,1369,
&end
#
# 41 ILE QG1 94 RG H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 688,
&end
#
# 93 RU Q5' 92 RA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1549,1550,
&end
#
# 94 RG H1' 95 RU H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1632, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RU H6 95 RU H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1634, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 RU H6 95 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RU H6 95 RU H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1632, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 RU H6 95 RU Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1613,1614,
&end
#
# 94 RG H4' 95 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU H2' 90 RG H5'' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1452, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 RG H1 49 GLY QA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 811, 812,
&end
#
# 86 ARG HA 94 RG H1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1363,1594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 ARG QB 94 RG H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1365,1366,
&end
#
# 86 ARG QG 94 RG H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1368,1369,
&end
#
# 86 ARG QD 94 RG H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1371,1372,
&end
#
# 83 ALA QB 94 RG H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1331,1332,1333,
&end
#
# 85 ALA QB 94 RG H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1355,1356,1357,
&end
#
# 83 ALA QB 93 RU H3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1331,1332,1333,
&end
#
# 12 HIS HB2 93 RU H3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 194,1564, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 HIS HB3 93 RU H3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 195,1564, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ASN HB3 93 RU H3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1304,1564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASN HB2 93 RU H3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1303,1564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 ALA HA 93 RU H3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1564, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 PHE HZ 94 RG H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 828,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 PHE HD 94 RG H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 851, 859,
&end
#
# 95 RU Q5' 94 RG H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1613,1614,
&end
#
# 95 RU H4' 94 RG H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1616,1585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 RG Q5' 41 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1579,1580,
igr2= 683, 684, 685,
&end
#
# 92 RA H4' 93 RU Q5' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1549,1550,
&end
#
# 94 RG Q5' 93 RU Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1579,1580,
igr2=1549,1550,
&end
#
# 94 RG Q5' 93 RU H4' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1579,1580,
&end
#
# 92 RA H4' 93 RU H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1519,1552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 RA H4' 93 RU H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1519,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 RG Q5' 93 RU H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1579,1580,
&end
#
# 94 RG Q5' 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1579,1580,
&end
#
# 52 PHE HD 94 RG Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 851, 859,
igr2=1579,1580,
&end
#
# 50 PHE HD 94 RG Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 824, 832,
igr2=1579,1580,
&end
#
# 50 PHE HE 94 RG Q5' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 826, 830,
igr2=1579,1580,
&end
#
# 50 PHE HZ 94 RG Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1579,1580,
&end
#
# 93 RCYT H5'1 92 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1549,1522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 RC H6 90 RG H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1457, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H5'' 90 RG H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1486,1457, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 ILE HA 94 RG H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679,1585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H5' 90 RG H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1485,1457, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 ILE QG2 94 RG H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 683, 684, 685,
&end
#
# 41 ILE QD1 94 RG H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 690, 691, 692,
&end
#
# 18 PHE HE 90 RG H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 291, 295,
&end
#
# 86 ARG QD 94 RG H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1371,1372,
&end
#
# 93 RU H4' 94 RG H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1552,1602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 RU H4' 94 RG H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1552,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 RC H5'' 90 RG H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1486,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 ILE HA 94 RG H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679,1602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 ILE HA 94 RG H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679,1582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 PHE HE 94 RG H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 826, 830,
&end
#
# 50 PHE HZ 94 RG H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 828,1602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 PHE HE 94 RG H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 826, 830,
&end
#
# 50 PHE HZ 94 RG H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 828,1582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RU H6 94 RG H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 ILE QG2 95 RU H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 683, 684, 685,
&end
#
# 41 ILE QD1 95 RU H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 690, 691, 692,
&end
#
# 41 ILE QG2 95 RU H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 683, 684, 685,
&end
#
# 41 ILE QD1 95 RU H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 690, 691, 692,
&end
#
# 91 RC H3' 90 RG H4' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1505,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 RC H2' 90 RG H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1507,1454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 RC H5' 90 RG H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1485,1454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 RC H5'' 90 RG H4' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1486,1454, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 RC H5 90 RG H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1496,1454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RU H5 95 RU H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1634, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 PHE HE 90 RG H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 291, 295,
&end
#
# 18 PHE HZ 90 RG H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 293,1454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 RG H8 95 RU H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1588,1632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 RC H6 90 RG H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RU H6 95 RU H5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 RC H6 90 RG H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 PHE HE 90 RG H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 291, 295,
&end
#
# 18 PHE HZ 90 RG H5'' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 293,1452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU H3' 90 RG H5'' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1440,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 RU H2' 90 RG H5' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1451, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 89 RU H3' 90 RG H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1440,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 RU H1' 90 RG H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1427,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H5 90 RG H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1496,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 PHE HE 90 RG H5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 295,
&end
#
# 18 PHE HZ 90 RG H5' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 293,1451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 RC H6 90 RG H5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1494,1451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ARG HA 11 LEU HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 149, 171, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 11 LEU HN 11 LEU HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 171, 175, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 11 LEU HN 11 LEU HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 171, 176, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 10 ARG HN 10 ARG HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 12 HIS+ HN 12 HIS+ HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 190, 195, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 VAL HN 13 VAL HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 207, 211, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 SER HA 15 ASN HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 225, 234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 PHE HN 18 PHE HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 20 PHE HN 20 PHE HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 325, 330, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 24 ASP HN 24 ASP HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 24 ASP HN 24 ASP HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 25 LEU HN 25 LEU HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 25 LEU HN 25 LEU HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 26 ARG HN 26 ARG HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 426, 430, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 26 ARG HN 26 ARG HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 426, 431, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 MET HN 28 MET HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 28 MET HN 28 MET HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 29 PHE HN 29 PHE HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 29 PHE HN 29 PHE HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 484, 488, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 32 PHE HN 32 PHE HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 32 PHE HN 32 PHE HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 34 LYS HN 34 LYS QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 559, 560,
&end
#
# 35 ILE HN 35 ILE HB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 36 LEU HN 36 LEU HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 38 VAL HN 38 VAL HB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 39 GLU HN 39 GLU HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 39 GLU HN 39 GLU HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 40 ILE HN 40 ILE HB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 658, 662, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 41 ILE HN 41 ILE HB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 42 PHE HN 42 PHE HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 696, 700, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 45 ARG HN 45 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 SER HN 47 SER HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 776, 780, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 47 SER HN 47 SER HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 776, 781, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 48 LYS HN 48 LYS HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 52 PHE HN 52 PHE HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 843, 847, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 52 PHE HA 53 VAL HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= 845, 863, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 53 VAL HN 53 VAL HB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 863, 867, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 54 THR HN 54 THR HB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 879, 883, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 55 PHE HN 55 PHE HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 893, 897, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 55 PHE HA 56 GLU HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= 895, 913, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 57 ASN HN 57 ASN HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 928, 932, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 57 ASN HN 57 ASN HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 928, 933, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 62 ASP HN 62 ASP QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 989, 990,
&end
#
# 63 ARG HN 63 ARG HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 997,1002, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 63 ARG HN 63 ARG HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 997,1001, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 65 ARG HN 65 ARG HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1031,1035, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 65 ARG HN 65 ARG HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat=1031,1036, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 66 GLU HN 66 GLU HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat=1055,1059, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 68 LEU HN 68 LEU HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 68 LEU HN 68 LEU HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 69 HIS+ HN 69 HIS+ HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1111,1116, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 69 HIS+ HN 69 HIS+ HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 71 THR HN 71 THR HB 3.77
&rst
ixpk= 0, nxpk= 0, iat=1135,1139, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 73 VAL HN 73 VAL HB 3.64
&rst
ixpk= 0, nxpk= 0, iat=1165,1169, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 72 VAL HN 72 VAL HB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1149,1153, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 76 ARG HN 76 ARG HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 77 LYS HN 77 LYS HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1227,1232, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 76 ARG HG3 77 LYS HN 3.47
&rst
ixpk= 0, nxpk= 0, iat=1211,1227, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 78 ILE HN 78 ILE HB 3.96
&rst
ixpk= 0, nxpk= 0, iat=1249,1253, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 80 VAL HA 81 ASN HN 3.11
&rst
ixpk= 0, nxpk= 0, iat=1285,1299, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 81 ASN HB3 82 ASN HN 3.95
&rst
ixpk= 0, nxpk= 0, iat=1304,1313, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 81 ASN HB2 82 ASN HN 3.82
&rst
ixpk= 0, nxpk= 0, iat=1303,1313, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 82 ASN HA 83 ALA HN 3.17
&rst
ixpk= 0, nxpk= 0, iat=1315,1327, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 82 ASN HB3 83 ALA HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1318,1327, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 84 THR HN 84 THR HB 3.95
&rst
ixpk= 0, nxpk= 0, iat=1337,1341, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 16 ILE HN 16 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 261, 262, 263,
&end
#
# 40 ILE HN 40 ILE HG13 4.50
&rst
ixpk= 0, nxpk= 0, iat= 658, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HN 40 ILE HG12 4.22
&rst
ixpk= 0, nxpk= 0, iat= 658, 668, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 40 ILE HN 40 ILE QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 664, 665, 666,
&end
#
# 78 ILE HN 78 ILE HG13 3.60
&rst
ixpk= 0, nxpk= 0, iat=1249,1260, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 78 ILE HN 78 ILE HG12 4.07
&rst
ixpk= 0, nxpk= 0, iat=1249,1259, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 78 ILE HN 78 ILE QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1255,1256,1257,
&end
#
# 78 ILE HN 78 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1262,1263,1264,
&end
#
# 78 ILE QG2 79 GLU HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1255,1256,1257,
&end
#
# 13 VAL HN 13 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 217, 218, 219,
&end
#
# 13 VAL HN 13 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 213, 214, 215,
&end
#
# 38 VAL HN 38 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 637, 638, 639,
&end
#
# 38 VAL HN 38 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 633, 634, 635,
&end
#
# 71 THR HN 71 THR QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1141,1142,1143,
&end
#
# 84 THR QG2 85 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1343,1344,1345,
&end
#
# 79 GLU HA 80 VAL HN 3.10
&rst
ixpk= 0, nxpk= 0, iat=1270,1283, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 11 LEU HN 11 LEU QD2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 184, 185, 186,
&end
#
# 56 GLU HN 56 GLU HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 913, 917, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 66 GLU HN 66 GLU HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1055,1062, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 31 GLN HN 31 GLN HG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 31 GLN HN 31 GLN HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 511, 519, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 26 ARG HN 26 ARG QG 3.16
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 433, 434,
&end
#
# 62 ASP QB 63 ARG HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 989, 990,
&end
#
# 65 ARG HN 65 ARG QD 4.95
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1041,1042,
&end
#
# 65 ARG QD 66 GLU HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1041,1042,
&end
#
# 72 VAL HN 72 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1159,1160,1161,
&end
#
# 25 LEU HN 25 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 416, 417, 418,
&end
#
# 25 LEU HN 25 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 420, 421, 422,
&end
#
# 21 ARG HN 21 ARG HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 345, 353, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 9 LYS HN 9 LYS HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 8 PRO HA 9 LYS HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 PRO HB3 9 LYS HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 119, 125, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 10 ARG HN 10 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 147, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ARG HN 10 ARG HD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 147, 157, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 10 ARG HN 10 ARG HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 147, 154, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 10 ARG HN 10 ARG HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 147, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 VAL HA 14 SER HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 209, 223, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 15 ASN HN 16 ILE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 234, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 PRO HB2 24 ASP HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 26 ARG HN 26 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HN 26 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 MET HN 28 MET HG3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 467, 475, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 34 LYS HN 34 LYS HG3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 555, 563, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 34 LYS HN 34 LYS HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 555, 562, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 34 LYS HN 34 LYS QD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 565, 566,
&end
#
# 48 LYS HN 48 LYS HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 787, 794, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 48 LYS HN 48 LYS HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 787, 795, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 67 LYS HN 67 LYS HG3 3.77
&rst
ixpk= 0, nxpk= 0, iat=1070,1078, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 66 GLU HB2 67 LYS HN 3.55
&rst
ixpk= 0, nxpk= 0, iat=1059,1070, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 74 GLU HB3 75 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 GLU HN 79 GLU HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1268,1272, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 PHE HN 20 PHE HD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 333, 341,
&end
#
# 20 PHE HN 20 PHE HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 325, 329, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 42 PHE HN 42 PHE HD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 704, 712,
&end
#
# 50 PHE HN 50 PHE HD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 824, 832,
&end
#
# 55 PHE HN 55 PHE HD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 901, 909,
&end
#
# 50 PHE HB2 51 GLY HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 820, 836, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 58 SER HN 58 SER QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 946, 947,
&end
#
# 60 ASP HN 60 ASP HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 60 ASP HN 60 ASP HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 59 ALA QB 60 ASP HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 957, 958, 959,
&end
#
# 59 ALA HN 60 ASP HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 9 LYS HA 10 ARG HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 127, 147, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 72 VAL HA 73 VAL HN 3.02
&rst
ixpk= 0, nxpk= 0, iat=1151,1165, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 73 VAL HN 76 ARG HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1165,1207, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 71 THR QG2 73 VAL HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1141,1142,1143,
&end
#
# 73 VAL HN 73 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1171,1172,1173,
&end
#
# 39 GLU HA 40 ILE HN 3.05
&rst
ixpk= 0, nxpk= 0, iat= 645, 658, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 39 GLU QG 40 ILE HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 650, 651,
&end
#
# 18 PHE HN 18 PHE HD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 289, 297,
&end
#
# 10 ARG HA 55 PHE HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 149, 893, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 54 THR HA 55 PHE HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 881, 893, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 17 PRO HA 18 PHE HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 281, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 GLY HN 80 VAL HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=1128,1283, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 HIS+ HE1 80 VAL HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1120,1283, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 69 HIS+ HA 80 VAL HN 4.14
&rst
ixpk= 0, nxpk= 0, iat=1113,1283, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 69 HIS+ HB3 80 VAL HN 4.36
&rst
ixpk= 0, nxpk= 0, iat=1116,1283, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 79 GLU HB2 80 VAL HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1272,1283, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 80 VAL HN 80 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1289,1290,1291,
&end
#
# 13 VAL HN 14 SER HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 207, 223, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 12 HIS+ HN 83 ALA HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 190,1327, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 13 VAL HN 52 PHE HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 207, 845, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 12 HIS+ HA 13 VAL HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 192, 207, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 12 HIS+ HB2 13 VAL HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 194, 207, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 83 ALA HN 83 ALA QB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1331,1332,1333,
&end
#
# 39 GLU HN 53 VAL HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 643, 863, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 71 THR HN 78 ILE HN 4.96
&rst
ixpk= 0, nxpk= 0, iat=1135,1249, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 38 VAL HA 39 GLU HN 3.04
&rst
ixpk= 0, nxpk= 0, iat= 629, 643, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 71 THR HA 78 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1137,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HB 78 ILE HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1139,1249, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 39 GLU HN 52 PHE HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 643, 847, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 77 LYS HG2 78 ILE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=1234,1249, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 38 VAL QG2 39 GLU HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 637, 638, 639,
&end
#
# 11 LEU HN 53 VAL HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 171, 863, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 74 GLU HN 74 GLU QG 4.42
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1188,1189,
&end
#
# 73 VAL QG1 74 GLU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1171,1172,1173,
&end
#
# 40 ILE HA 41 ILE HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 660, 677, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 41 ILE HN 51 GLY HA3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 677, 839, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 40 ILE QG2 41 ILE HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 664, 665, 666,
&end
#
# 36 LEU HN 37 ASP HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 596, 617, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 35 ILE HA 36 LEU HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 579, 596, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 36 LEU HN 54 THR HB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 596, 883, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 36 LEU HN 36 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 609, 610, 611,
&end
#
# 41 ILE QG2 42 PHE HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 683, 684, 685,
&end
#
# 20 PHE HB3 21 ARG HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 330, 345, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 20 PHE HB2 21 ARG HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 329, 345, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 21 ARG HN 24 ASP HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 345, 399, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 12 HIS+ HN 81 ASN HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 190,1299, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 81 ASN HN 81 ASN HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1299,1303, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 12 HIS+ HB3 81 ASN HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 195,1299, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 80 VAL QG2 81 ASN HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1293,1294,1295,
&end
#
# 77 LYS HN 78 ILE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat=1227,1249, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 76 ARG HN 77 LYS HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 15 ASN HND1 77 LYS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 243,1227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 76 ARG HA 77 LYS HN 3.10
&rst
ixpk= 0, nxpk= 0, iat=1205,1227, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 76 ARG HG2 77 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1210,1227, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 72 VAL QG1 77 LYS HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1155,1156,1157,
&end
#
# 47 SER HA 48 LYS HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 778, 787, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 LEU HA 12 HIS+ HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 173, 190, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 11 LEU HB3 12 HIS+ HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 176, 190, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 11 LEU HB3 54 THR HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 176, 879, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 HIS+ HN 83 ALA QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1331,1332,1333,
&end
#
# 11 LEU QD1 12 HIS+ HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 180, 181, 182,
&end
#
# 53 VAL HA 54 THR HN 3.07
&rst
ixpk= 0, nxpk= 0, iat= 865, 879, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 37 ASP HB2 54 THR HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 619, 879, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 35 ILE HG13 54 THR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 588, 879, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 53 VAL QG1 54 THR HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 869, 870, 871,
&end
#
# 78 ILE HA 79 GLU HN 3.23
&rst
ixpk= 0, nxpk= 0, iat=1251,1268, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 15 ASN QB 79 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 238, 239,
&end
#
# 79 GLU HN 79 GLU QG 4.26
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1275,1276,
&end
#
# 78 ILE HG12 79 GLU HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1259,1268, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 56 GLU HN 57 ASN HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 913, 930, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 11 LEU QD1 56 GLU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 180, 181, 182,
&end
#
# 64 ALA HN 65 ARG HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=1021,1031, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 61 ALA HA 64 ALA HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 977,1021, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 63 ARG HB2 64 ALA HN 3.68
&rst
ixpk= 0, nxpk= 0, iat=1001,1021, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 56 GLU HN 57 ASN HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 913, 928, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 55 PHE HD 56 GLU HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 901, 909,
&end
#
# 55 PHE HB3 56 GLU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 56 GLU HN 57 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 THR HA 72 VAL HN 2.98
&rst
ixpk= 0, nxpk= 0, iat=1137,1149, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 72 VAL HN 77 LYS HG2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1149,1234, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 73 VAL HN 76 ARG HN 3.83
&rst
ixpk= 0, nxpk= 0, iat=1165,1203, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 72 VAL QG1 76 ARG HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1155,1156,1157,
&end
#
# 22 ASP HN 23 PRO HD3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 22 ASP HN 23 PRO HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 369, 382, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 21 ARG HD2 22 ASP HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 22 ASP HN 22 ASP HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 ARG HB3 22 ASP HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 350, 369, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 21 ARG HB2 22 ASP HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 349, 369, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 22 ASP HN 40 ILE QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 671, 672, 673,
&end
#
# 63 ARG HN 64 ALA HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 997,1021, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 61 ALA QB 63 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 979, 980, 981,
&end
#
# 60 ASP HN 61 ALA HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 963, 975, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 66 GLU HA 69 HIS+ HN 4.66
&rst
ixpk= 0, nxpk= 0, iat=1057,1111, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 65 ARG HA 69 HIS+ HN 4.32
&rst
ixpk= 0, nxpk= 0, iat=1033,1111, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 68 LEU HB3 69 HIS+ HN 4.14
&rst
ixpk= 0, nxpk= 0, iat=1097,1111, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 68 LEU HG 69 HIS+ HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=1099,1111, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 69 HIS+ HN 80 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1289,1290,1291,
&end
#
# 37 ASP HN 38 VAL HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 615, 627, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 37 ASP HB3 38 VAL HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 37 ASP HB2 38 VAL HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 619, 627, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 35 ILE QG2 38 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 583, 584, 585,
&end
#
# 25 LEU HN 26 ARG HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 407, 426, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 23 PRO HA 26 ARG HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 391, 426, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 26 ARG HN 27 GLN HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 426, 455, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 26 ARG HN 38 VAL QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 633, 634, 635,
&end
#
# 14 SER QB 15 ASN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 227, 228,
&end
#
# 15 ASN HN 16 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 261, 262, 263,
&end
#
# 58 SER QB 60 ASP HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 946, 947,
&end
#
# 9 LYS HN 55 PHE HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 125, 893, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 9 LYS HN 10 ARG HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 125, 147, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 9 LYS HN 54 THR HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 125, 881, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 9 LYS HN 55 PHE HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 125, 898, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 9 LYS HN 10 ARG HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 125, 152, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 9 LYS HN 54 THR QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 885, 886, 887,
&end
#
# 14 SER HN 79 GLU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 223,1268, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 12 HIS+ HE1 14 SER HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 14 SER HN 79 GLU HB2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 223,1272, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 13 VAL QG1 14 SER HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 213, 214, 215,
&end
#
# 42 PHE HB2 43 ASN HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 700, 716, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 42 PHE HA 43 ASN HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 698, 716, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 ARG HN 27 GLN HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 426, 450, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 27 GLN HN 28 MET HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 25 LEU HA 27 GLN HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 409, 450, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 26 ARG QG 27 GLN HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 433, 434,
&end
#
# 26 ARG HB3 27 GLN HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 431, 450, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 26 ARG HB2 27 GLN HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 430, 450, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 33 GLY HA2 34 LYS HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 550, 555, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 33 GLY HA3 34 LYS HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 551, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 MET HN 29 PHE HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 467, 484, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 25 LEU HA 28 MET HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 409, 467, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 24 ASP HB3 25 LEU HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 26 ARG QG 28 MET HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 433, 434,
&end
#
# 25 LEU QD2 28 MET HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 420, 421, 422,
&end
#
# 62 ASP HN 63 ARG HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 985, 997, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 60 ASP HN 62 ASP HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 61 ALA HN 62 ASP HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 975, 985, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 61 ALA QB 62 ASP HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 979, 980, 981,
&end
#
# 83 ALA HA 84 THR HN 3.21
&rst
ixpk= 0, nxpk= 0, iat=1329,1337, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 12 HIS+ HB2 84 THR HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 194,1337, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 83 ALA QB 84 THR HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1331,1332,1333,
&end
#
# 65 ARG HN 66 GLU HN 3.59
&rst
ixpk= 0, nxpk= 0, iat=1031,1055, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 65 ARG HN 66 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1031,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PHE HB3 53 VAL HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 848, 863, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 11 LEU HB3 53 VAL HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 176, 863, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 13 VAL QG1 53 VAL HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 213, 214, 215,
&end
#
# 53 VAL HN 53 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 869, 870, 871,
&end
#
# 52 PHE HN 52 PHE HD 4.98
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 851, 859,
&end
#
# 12 HIS+ HA 52 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 192, 843, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 GLY HA2 52 PHE HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 838, 843, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 51 GLY HA3 52 PHE HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 839, 843, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 65 ARG HB2 66 GLU HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=1035,1055, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 37 ASP HN 54 THR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 LEU HN 37 ASP HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 596, 615, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 35 ILE HA 37 ASP HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 579, 615, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 37 ASP HN 54 THR HB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 615, 883, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 36 LEU HB3 37 ASP HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 601, 615, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 36 LEU HB2 37 ASP HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 600, 615, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 37 ASP HN 38 VAL QG1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 633, 634, 635,
&end
#
# 35 ILE QG2 37 ASP HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 583, 584, 585,
&end
#
# 30 GLY HN 31 GLN HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 31 GLN HN 32 PHE HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 511, 528, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 70 GLY HN 79 GLU HA 4.23
&rst
ixpk= 0, nxpk= 0, iat=1128,1270, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 69 HIS+ HA 70 GLY HN 3.20
&rst
ixpk= 0, nxpk= 0, iat=1113,1128, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 70 GLY HN 77 LYS HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1128,1234, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 46 GLY HA3 47 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 776, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 GLY HA2 47 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 771, 776, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 GLN HG3 32 PHE HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 519, 528, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 31 GLN HG2 32 PHE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 518, 528, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 32 PHE HN 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1025,1026,1027,
&end
#
# 67 LYS HN 68 LEU HN 3.41
&rst
ixpk= 0, nxpk= 0, iat=1070,1092, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 66 GLU HG3 67 LYS HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=1063,1070, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 67 LYS HN 67 LYS QB 3.06
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1074,1075,
&end
#
# 65 ARG HA 68 LEU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1033,1092, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 68 LEU HN 68 LEU HG 3.76
&rst
ixpk= 0, nxpk= 0, iat=1092,1099, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 21 ARG HN 24 ASP HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 345, 395, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 24 ASP HN 26 ARG HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 395, 426, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 23 PRO HD2 24 ASP HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 56 GLU HB2 57 ASN HND2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 917, 938, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 55 PHE HD 57 ASN HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 901, 909,
&end
#
# 56 GLU HB2 57 ASN HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 917, 928, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 LEU HA 29 PHE HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 409, 484, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 26 ARG HA 29 PHE HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 428, 484, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 28 MET HB3 29 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 472, 484, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 28 MET HB2 29 PHE HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 471, 484, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 29 PHE HN 35 ILE QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 590, 591, 592,
&end
#
# 70 GLY HN 71 THR HN 3.69
&rst
ixpk= 0, nxpk= 0, iat=1128,1135, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 71 THR HN 77 LYS HA 4.41
&rst
ixpk= 0, nxpk= 0, iat=1135,1229, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 71 THR HN 77 LYS HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1135,1234, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 71 THR HN 72 VAL QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1159,1160,1161,
&end
#
# 71 THR HN 78 ILE QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1262,1263,1264,
&end
#
# 41 ILE HB 50 PHE HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 681, 816, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 16 ILE QG2 50 PHE HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 254, 255, 256,
&end
#
# 40 ILE QG2 50 PHE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 664, 665, 666,
&end
#
# 15 ASN HND2 77 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 244,1227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 ASN HB3 15 ASN HND2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 239, 244, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 29 PHE HB3 30 GLY HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 489, 504, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 29 PHE HB2 30 GLY HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 488, 504, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 MET HB2 30 GLY HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 471, 504, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 49 GLY HN 50 PHE HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 809, 816, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 18 PHE HE 49 GLY HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 291, 295,
&end
#
# 43 ASN HN 46 GLY HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 716, 769, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 VAL HN 51 GLY HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 207, 836, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 50 PHE HD 51 GLY HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 824, 832,
&end
#
# 50 PHE HA 51 GLY HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 818, 836, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 14 SER HA 51 GLY HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 225, 836, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 13 VAL HB 51 GLY HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 211, 836, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 33 GLY HN 34 LYS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 548, 555, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 33 GLY HN 55 PHE HZ 5.14
&rst
ixpk= 0, nxpk= 0, iat= 548, 905, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 32 PHE HB2 33 GLY HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 532, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 74 GLU HN 75 GLY HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1181,1196, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 72 VAL QG1 75 GLY HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1155,1156,1157,
&end
#
# 82 ASN HN 82 ASN HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 27 GLN HN 27 GLN HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 450, 454, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 27 GLN HN 27 GLN HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 61 ALA HN 61 ALA QB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 979, 980, 981,
&end
#
# 66 GLU HN 66 GLU HB3 3.47
&rst
ixpk= 0, nxpk= 0, iat=1055,1060, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 77 LYS HN 77 LYS HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 55 PHE HN 55 PHE HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 893, 898, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 16 ILE HN 16 ILE QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 254, 255, 256,
&end
#
# 16 ILE HA 16 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 254, 255, 256,
&end
#
# 35 ILE HN 35 ILE QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 590, 591, 592,
&end
#
# 35 ILE HN 35 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 583, 584, 585,
&end
#
# 35 ILE HN 35 ILE HG12 4.95
&rst
ixpk= 0, nxpk= 0, iat= 577, 587, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 35 ILE HN 35 ILE HG13 4.80
&rst
ixpk= 0, nxpk= 0, iat= 577, 588, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 40 ILE HN 40 ILE QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 671, 672, 673,
&end
#
# 78 ILE QD1 79 GLU HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1262,1263,1264,
&end
#
# 78 ILE HA 78 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1255,1256,1257,
&end
#
# 78 ILE HA 78 ILE QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1262,1263,1264,
&end
#
# 41 ILE HN 41 ILE QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 683, 684, 685,
&end
#
# 41 ILE HN 41 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 690, 691, 692,
&end
#
# 41 ILE QD1 42 PHE HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 690, 691, 692,
&end
#
# 13 VAL HA 13 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 217, 218, 219,
&end
#
# 13 VAL QG2 14 SER HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 217, 218, 219,
&end
#
# 38 VAL HA 38 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 637, 638, 639,
&end
#
# 38 VAL HA 38 VAL QG1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 633, 634, 635,
&end
#
# 53 VAL HN 53 VAL QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 873, 874, 875,
&end
#
# 54 THR HN 54 THR QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 885, 886, 887,
&end
#
# 54 THR QG2 55 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 885, 886, 887,
&end
#
# 54 THR HA 54 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 885, 886, 887,
&end
#
# 71 THR QG2 72 VAL HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1141,1142,1143,
&end
#
# 84 THR HA 84 THR QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1343,1344,1345,
&end
#
# 84 THR HN 84 THR QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1343,1344,1345,
&end
#
# 56 GLU HN 56 GLU HG3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 913, 921, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 56 GLU HN 56 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLU HA 56 GLU HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 915, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 56 GLU HA 56 GLU HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 915, 920, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 66 GLU HN 66 GLU HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat=1055,1063, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 27 GLN HN 27 GLN HG3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 450, 458, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 25 LEU HB3 26 ARG HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 412, 426, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 LEU HB2 26 ARG HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 411, 426, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 59 ALA HN 59 ALA QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 957, 958, 959,
&end
#
# 80 VAL QG1 81 ASN HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1289,1290,1291,
&end
#
# 80 VAL HA 80 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1289,1290,1291,
&end
#
# 72 VAL QG1 73 VAL HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1155,1156,1157,
&end
#
# 72 VAL QG2 73 VAL HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1159,1160,1161,
&end
#
# 72 VAL HN 72 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1155,1156,1157,
&end
#
# 25 LEU HA 25 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 416, 417, 418,
&end
#
# 25 LEU QD2 26 ARG HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 420, 421, 422,
&end
#
# 25 LEU HB3 25 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 420, 421, 422,
&end
#
# 25 LEU HB2 25 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 420, 421, 422,
&end
#
# 36 LEU QD2 37 ASP HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 609, 610, 611,
&end
#
# 68 LEU HN 68 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1101,1102,1103,
&end
#
# 68 LEU HN 68 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1105,1106,1107,
&end
#
# 68 LEU HA 68 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1105,1106,1107,
&end
#
# 68 LEU HB2 68 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1101,1102,1103,
&end
#
# 68 LEU HB3 68 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1101,1102,1103,
&end
#
# 68 LEU HB2 68 LEU QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1105,1106,1107,
&end
#
# 68 LEU HB3 68 LEU QD2 3.59
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1105,1106,1107,
&end
#
# 9 LYS HN 9 LYS QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 138, 139,
&end
#
# 8 PRO HB2 9 LYS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 118, 125, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 34 LYS HA 34 LYS QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 565, 566,
&end
#
# 45 ARG HA 45 ARG HD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 747, 755, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 65 ARG HN 65 ARG QG 4.26
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1038,1039,
&end
#
# 67 LYS HN 67 LYS HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 22 ASP HB2 23 PRO HD3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 373, 383, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 22 ASP HB3 23 PRO HD2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 374, 382, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 23 PRO HA 26 ARG QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 433, 434,
&end
#
# 58 SER QB 59 ALA HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 946, 947,
&end
#
# 76 ARG HN 76 ARG HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1203,1210, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 13 VAL HA 81 ASN HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 209,1299, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 13 VAL HA 13 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 213, 214, 215,
&end
#
# 14 SER HA 50 PHE HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 225, 821, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 14 SER HA 50 PHE HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 225, 820, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 13 VAL QG1 14 SER HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 213, 214, 215,
&end
#
# 15 ASN HA 15 ASN HND2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 236, 244, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 63 ARG HA 66 GLU HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 999,1055, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 16 ILE HA 17 PRO HD3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 250, 269, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 62 ASP QB 63 ARG HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 989, 990,
&end
#
# 63 ARG HA 66 GLU HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 999,1063, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 63 ARG HA 66 GLU HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 999,1062, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 ILE HA 17 PRO HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 ILE HA 78 ILE QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1262,1263,1264,
&end
#
# 70 GLY HA2 71 THR HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=1130,1137, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 71 THR HA 77 LYS HG2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1137,1234, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 22 ASP HA 25 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 371, 407, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 73 VAL HA 74 GLU HA 4.56
&rst
ixpk= 0, nxpk= 0, iat=1167,1183, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 73 VAL HA 74 GLU QG 4.95
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1188,1189,
&end
#
# 73 VAL HA 73 VAL QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1171,1172,1173,
&end
#
# 72 VAL QG1 73 VAL HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1155,1156,1157,
&end
#
# 74 GLU HA 75 GLY HA2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1183,1198, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 74 GLU HA 74 GLU QG 3.51
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1188,1189,
&end
#
# 73 VAL QG1 74 GLU HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1171,1172,1173,
&end
#
# 72 VAL QG1 75 GLY HA2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1155,1156,1157,
&end
#
# 76 ARG HA 76 ARG HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1205,1210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 ARG HB2 77 LYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=1207,1227, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 76 ARG HB2 77 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1207,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 VAL HN 77 LYS HA 4.36
&rst
ixpk= 0, nxpk= 0, iat=1165,1229, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 77 LYS HA 78 ILE HN 3.37
&rst
ixpk= 0, nxpk= 0, iat=1229,1249, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 67 LYS QD 68 LEU HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1080,1081,
&end
#
# 72 VAL QG1 77 LYS HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1155,1156,1157,
&end
#
# 77 LYS HB3 77 LYS QE 4.85
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1240,1241,
&end
#
# 77 LYS HB2 77 LYS QE 4.90
&rst
ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1240,1241,
&end
#
# 72 VAL QG2 77 LYS HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1159,1160,1161,
&end
#
# 69 HIS+ HE1 79 GLU HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1120,1272, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 69 HIS+ HB3 79 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1116,1270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 GLU HA 80 VAL QG1 4.66
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1289,1290,1291,
&end
#
# 81 ASN HA 82 ASN HA 4.63
&rst
ixpk= 0, nxpk= 0, iat=1301,1315, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 80 VAL QG2 81 ASN HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1293,1294,1295,
&end
#
# 11 LEU QD1 81 ASN HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 180, 181, 182,
&end
#
# 9 LYS HA 54 THR HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 127, 881, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 11 LEU HB2 54 THR HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 175, 881, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 80 VAL HA 80 VAL QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1293,1294,1295,
&end
#
# 13 VAL QG1 80 VAL HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 213, 214, 215,
&end
#
# 22 ASP HB2 23 PRO HD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 373, 382, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 22 ASP HB2 40 ILE HG12 5.23
&rst
ixpk= 0, nxpk= 0, iat= 373, 668, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 12 HIS+ HB2 83 ALA QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1331,1332,1333,
&end
#
# 84 THR HA 85 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1355,1356,1357,
&end
#
# 12 HIS+ HB3 13 VAL HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 195, 207, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 12 HIS+ HB3 83 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1331,1332,1333,
&end
#
# 12 HIS+ HE1 14 SER HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 199, 228, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 SER HB3 79 GLU HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 228,1272, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 12 HIS+ HE1 14 SER HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 199, 227, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 14 SER HB2 79 GLU HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 227,1273, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 SER HB2 79 GLU HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 227,1272, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 29 PHE HB2 35 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 590, 591, 592,
&end
#
# 29 PHE HB3 35 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 590, 591, 592,
&end
#
# 24 ASP HA 25 LEU HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 397, 409, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 24 ASP HB2 25 LEU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 399, 407, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 20 PHE HD 24 ASP HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 333, 341,
&end
#
# 21 ARG HN 24 ASP HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 345, 400, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 25 LEU HB2 40 ILE QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 671, 672, 673,
&end
#
# 25 LEU HB2 53 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 869, 870, 871,
&end
#
# 58 SER QB 60 ASP HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 946, 947,
&end
#
# 25 LEU HA 28 MET HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 409, 471, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 25 LEU HA 28 MET QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 478, 479, 480,
&end
#
# 25 LEU HA 25 LEU HG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 409, 414, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 25 LEU HA 25 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 420, 421, 422,
&end
#
# 25 LEU HN 26 ARG HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 407, 428, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 26 ARG HA 27 GLN HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 428, 452, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 26 ARG HA 26 ARG HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ARG HA 26 ARG HD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 428, 436, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 26 ARG HA 26 ARG QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 433, 434,
&end
#
# 26 ARG HA 38 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 633, 634, 635,
&end
#
# 26 ARG HA 35 ILE QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 583, 584, 585,
&end
#
# 26 ARG HA 35 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 590, 591, 592,
&end
#
# 26 ARG HB2 26 ARG HD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 430, 436, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 26 ARG HB2 35 ILE QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 583, 584, 585,
&end
#
# 26 ARG HB2 35 ILE QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 590, 591, 592,
&end
#
# 26 ARG HB3 38 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 633, 634, 635,
&end
#
# 26 ARG HB3 35 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 583, 584, 585,
&end
#
# 26 ARG HB3 35 ILE QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 590, 591, 592,
&end
#
# 27 GLN HA 27 GLN HG3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 452, 458, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 27 GLN HA 27 GLN HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat= 452, 455, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 27 GLN HB3 28 MET HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 455, 467, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 27 GLN HB2 28 MET HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 454, 467, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 28 MET HA 28 MET HG3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 469, 475, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 SER HA 50 PHE HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= 225, 818, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 33 GLY HA2 34 LYS QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 559, 560,
&end
#
# 41 ILE HB 51 GLY HA2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 681, 838, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 31 GLN HA 31 GLN QB 2.86
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 515, 516,
&end
#
# 31 GLN QB 32 PHE HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 515, 516,
&end
#
# 32 PHE HB3 55 PHE HZ 4.82
&rst
ixpk= 0, nxpk= 0, iat= 533, 905, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 29 PHE HD 32 PHE HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 492, 500,
&end
#
# 33 GLY HA3 34 LYS HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 551, 557, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 34 LYS HA 34 LYS HG3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 557, 563, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 34 LYS HA 34 LYS HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 557, 562, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 34 LYS QB 35 ILE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 559, 560,
&end
#
# 35 ILE HB 36 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 581, 596, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 68 LEU HB3 78 ILE QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1262,1263,1264,
&end
#
# 36 LEU HB3 54 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 885, 886, 887,
&end
#
# 36 LEU HB3 36 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 605, 606, 607,
&end
#
# 35 ILE HA 36 LEU HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 579, 600, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 36 LEU HB2 37 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LEU HB2 36 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 609, 610, 611,
&end
#
# 68 LEU HB2 71 THR QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1141,1142,1143,
&end
#
# 68 LEU HB2 78 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1262,1263,1264,
&end
#
# 37 ASP HB3 54 THR HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 620, 879, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 37 ASP HB3 54 THR HB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 620, 883, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 37 ASP HA 38 VAL HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 617, 627, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 37 ASP HA 38 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 633, 634, 635,
&end
#
# 38 VAL HA 39 GLU HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 38 VAL HA 53 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 869, 870, 871,
&end
#
# 25 LEU HB2 38 VAL HB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 411, 631, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 35 ILE QG2 38 VAL HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 583, 584, 585,
&end
#
# 38 VAL HB 53 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 869, 870, 871,
&end
#
# 38 VAL QG1 39 GLU HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 633, 634, 635,
&end
#
# 22 ASP HA 38 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 371, 631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 22 ASP HA 40 ILE HB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 371, 662, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 22 ASP HA 25 LEU HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 371, 411, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 ASP HA 40 ILE HG12 3.49
&rst
ixpk= 0, nxpk= 0, iat= 371, 668, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 40 ILE HA 51 GLY HA3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 660, 839, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 40 ILE HA 40 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 671, 672, 673,
&end
#
# 40 ILE HA 40 ILE QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 664, 665, 666,
&end
#
# 39 GLU HB3 52 PHE HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 648, 848, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 65 ARG HB3 65 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1041,1042,
&end
#
# 65 ARG QD 80 VAL QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1041,1042,
igr2=1293,1294,1295,
&end
#
# 39 GLU HB2 52 PHE HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 647, 847, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 42 PHE HB3 43 ASN HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 701, 716, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 21 ARG HA 21 ARG HD3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 347, 356, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 21 ARG HA 21 ARG HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 347, 355, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 21 ARG HA 40 ILE HG12 5.08
&rst
ixpk= 0, nxpk= 0, iat= 347, 668, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 21 ARG HA 40 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 671, 672, 673,
&end
#
# 67 LYS HA 67 LYS QD 4.41
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1080,1081,
&end
#
# 67 LYS HA 67 LYS QB 2.79
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1074,1075,
&end
#
# 67 LYS HA 67 LYS HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat=1072,1078, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 18 PHE HD 47 SER HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 289, 297,
&end
#
# 18 PHE HD 47 SER HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 289, 297,
&end
#
# 33 GLY HA3 34 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 559, 560,
&end
#
# 12 HIS+ HA 52 PHE HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 192, 845, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 13 VAL QG1 52 PHE HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 213, 214, 215,
&end
#
# 37 ASP HN 53 VAL HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 615, 865, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 53 VAL HA 54 THR HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 865, 883, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 35 ILE QG2 53 VAL HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 583, 584, 585,
&end
#
# 53 VAL HA 53 VAL QG1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 869, 870, 871,
&end
#
# 53 VAL HB 54 THR HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 867, 879, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 29 PHE HE 53 VAL HB 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 494, 498,
&end
#
# 11 LEU QD2 53 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 184, 185, 186,
&end
#
# 35 ILE QG2 53 VAL HB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 583, 584, 585,
&end
#
# 37 ASP HA 54 THR HB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 617, 883, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 37 ASP HB2 54 THR HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 619, 883, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 36 LEU HB3 54 THR HB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 601, 883, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 36 LEU HB2 54 THR HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 600, 883, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 36 LEU QD2 54 THR HB 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 609, 610, 611,
&end
#
# 35 ILE QG2 54 THR HB 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 583, 584, 585,
&end
#
# 55 PHE HA 61 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 979, 980, 981,
&end
#
# 54 THR QG2 55 PHE HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 885, 886, 887,
&end
#
# 36 LEU QD2 55 PHE HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 609, 610, 611,
&end
#
# 56 GLU HB3 57 ASN HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 918, 928, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 11 LEU QD1 56 GLU HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 180, 181, 182,
&end
#
# 56 GLU HB2 56 GLU HG3 3.03
&rst
ixpk= 0, nxpk= 0, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 11 LEU QD1 56 GLU HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 180, 181, 182,
&end
#
# 56 GLU HG3 57 ASN HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 921, 930, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 54 THR HB 55 PHE HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 883, 897, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 59 ALA HA 62 ASP HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 955, 985, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 59 ALA HA 63 ARG HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 955, 997, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 59 ALA HA 62 ASP QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 989, 990,
&end
#
# 55 PHE HD 61 ALA HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 901, 909,
&end
#
# 60 ASP HB3 61 ALA HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 968, 977, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 61 ALA HA 64 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1025,1026,1027,
&end
#
# 62 ASP QB 63 ARG HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 989, 990,
&end
#
# 62 ASP HA 65 ARG HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 987,1031, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 62 ASP QB 63 ARG HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 989, 990,
&end
#
# 63 ARG HB2 64 ALA QB 5.40
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1025,1026,1027,
&end
#
# 64 ALA HA 68 LEU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1023,1092, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 64 ALA HA 67 LYS QB 3.75
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1074,1075,
&end
#
# 64 ALA HA 68 LEU HG 4.60
&rst
ixpk= 0, nxpk= 0, iat=1023,1099, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 64 ALA HA 68 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1101,1102,1103,
&end
#
# 64 ALA QB 65 ARG HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1025,1026,1027,
&end
#
# 62 ASP HN 64 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1025,1026,1027,
&end
#
# 32 PHE HZ 64 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1025,1026,1027,
&end
#
# 32 PHE HA 64 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1025,1026,1027,
&end
#
# 32 PHE HB3 64 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1025,1026,1027,
&end
#
# 32 PHE HB2 64 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1025,1026,1027,
&end
#
# 63 ARG HB3 64 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1025,1026,1027,
&end
#
# 64 ALA QB 65 ARG HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1025,1026,1027,
&end
#
# 64 ALA QB 67 LYS HG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1025,1026,1027,
&end
#
# 64 ALA QB 68 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=1025,1026,1027,
igr2=1105,1106,1107,
&end
#
# 64 ALA QB 68 LEU QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1025,1026,1027,
igr2=1101,1102,1103,
&end
#
# 65 ARG HA 69 HIS+ HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1033,1116, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 65 ARG HA 65 ARG QD 4.73
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1041,1042,
&end
#
# 65 ARG HA 80 VAL HB 4.08
&rst
ixpk= 0, nxpk= 0, iat=1033,1287, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 65 ARG HA 68 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat=1033,1099, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 65 ARG HA 80 VAL QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1293,1294,1295,
&end
#
# 11 LEU QD1 65 ARG HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 180, 181, 182,
&end
#
# 68 LEU HA 71 THR QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1141,1142,1143,
&end
#
# 68 LEU HA 68 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1101,1102,1103,
&end
#
# 20 PHE HB3 40 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 671, 672, 673,
&end
#
# 21 ARG HB3 22 ASP HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 350, 374, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 22 ASP HB3 40 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 374, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ARG HB3 22 ASP HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 350, 373, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 ARG HB2 23 PRO HD3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 21 ARG HB2 23 PRO HD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 349, 382, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 31 GLN QB 32 PHE HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 515, 516,
&end
#
# 25 LEU HG 28 MET QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 478, 479, 480,
&end
#
# 34 LYS HG3 34 LYS QD 3.05
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 565, 566,
&end
#
# 31 GLN QB 68 LEU QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 515, 516,
igr2=1105,1106,1107,
&end
#
# 55 PHE HB3 61 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 979, 980, 981,
&end
#
# 72 VAL QG2 77 LYS QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1159,1160,1161,
igr2=1240,1241,
&end
#
# 60 ASP HB2 61 ALA HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 967, 975, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 32 PHE HZ 67 LYS QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1074,1075,
&end
#
# 86 ARG HB2 86 ARG QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1371,1372,
&end
#
# 86 ARG HA 86 ARG QD 4.91
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1371,1372,
&end
#
# 86 ARG HA 86 ARG QG 3.85
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1368,1369,
&end
#
# 16 ILE QD1 51 GLY HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 261, 262, 263,
&end
#
# 16 ILE QD1 20 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 261, 262, 263,
igr2= 333, 341,
&end
#
# 16 ILE QD1 50 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 261, 262, 263,
&end
#
# 16 ILE HB 16 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 261, 262, 263,
&end
#
# 16 ILE QD1 78 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 261, 262, 263,
igr2=1262,1263,1264,
&end
#
# 35 ILE QD1 36 LEU HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 590, 591, 592,
&end
#
# 30 GLY HN 35 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 590, 591, 592,
&end
#
# 29 PHE HD 35 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 492, 500,
igr2= 590, 591, 592,
&end
#
# 29 PHE HA 35 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 590, 591, 592,
&end
#
# 35 ILE HA 35 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 590, 591, 592,
&end
#
# 26 ARG QG 35 ILE QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 433, 434,
igr2= 590, 591, 592,
&end
#
# 35 ILE HB 35 ILE QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 590, 591, 592,
&end
#
# 35 ILE QD1 38 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 590, 591, 592,
igr2= 633, 634, 635,
&end
#
# 35 ILE QG2 35 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 583, 584, 585,
igr2= 590, 591, 592,
&end
#
# 35 ILE QG2 54 THR HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 583, 584, 585,
&end
#
# 35 ILE QG2 36 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 583, 584, 585,
&end
#
# 35 ILE QG2 37 ASP HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 583, 584, 585,
&end
#
# 35 ILE QG2 36 LEU HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 583, 584, 585,
&end
#
# 35 ILE HA 35 ILE QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 583, 584, 585,
&end
#
# 26 ARG QG 35 ILE QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 433, 434,
igr2= 583, 584, 585,
&end
#
# 35 ILE QG2 35 ILE HG13 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 583, 584, 585,
&end
#
# 35 ILE QG2 38 VAL QG1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 583, 584, 585,
igr2= 633, 634, 635,
&end
#
# 35 ILE QG2 53 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 583, 584, 585,
igr2= 869, 870, 871,
&end
#
# 76 ARG HG3 77 LYS HA 4.40
&rst
ixpk= 0, nxpk= 0, iat=1211,1229, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 35 ILE HA 35 ILE HG13 4.26
&rst
ixpk= 0, nxpk= 0, iat= 579, 588, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 40 ILE QG2 51 GLY HA3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 664, 665, 666,
&end
#
# 40 ILE QG2 40 ILE HG12 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 664, 665, 666,
&end
#
# 21 ARG HN 40 ILE QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 671, 672, 673,
&end
#
# 22 ASP HA 40 ILE QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 671, 672, 673,
&end
#
# 40 ILE QD1 51 GLY HA3 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 671, 672, 673,
&end
#
# 40 ILE HB 40 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 671, 672, 673,
&end
#
# 25 LEU HG 40 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 671, 672, 673,
&end
#
# 40 ILE QG2 40 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 664, 665, 666,
igr2= 671, 672, 673,
&end
#
# 41 ILE HA 41 ILE QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 683, 684, 685,
&end
#
# 41 ILE QG2 41 ILE QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 683, 684, 685,
igr2= 687, 688,
&end
#
# 41 ILE QD1 50 PHE HD 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 690, 691, 692,
igr2= 824, 832,
&end
#
# 41 ILE HA 41 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 690, 691, 692,
&end
#
# 41 ILE QD1 51 GLY HA2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 690, 691, 692,
&end
#
# 39 GLU QG 41 ILE QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 650, 651,
igr2= 690, 691, 692,
&end
#
# 40 ILE QG2 41 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 664, 665, 666,
igr2= 690, 691, 692,
&end
#
# 14 SER HN 78 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1255,1256,1257,
&end
#
# 69 HIS+ HA 78 ILE QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1255,1256,1257,
&end
#
# 78 ILE QG2 80 VAL HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1255,1256,1257,
&end
#
# 29 PHE HE 78 ILE QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 494, 498,
igr2=1262,1263,1264,
&end
#
# 78 ILE HB 78 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1262,1263,1264,
&end
#
# 78 ILE QG2 78 ILE QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1255,1256,1257,
igr2=1262,1263,1264,
&end
#
# 68 LEU QD1 78 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1101,1102,1103,
igr2=1262,1263,1264,
&end
#
# 13 VAL QG1 51 GLY HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 213, 214, 215,
&end
#
# 13 VAL QG1 78 ILE HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 213, 214, 215,
&end
#
# 13 VAL QG1 53 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 213, 214, 215,
&end
#
# 13 VAL QG1 80 VAL QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 213, 214, 215,
igr2=1289,1290,1291,
&end
#
# 13 VAL QG1 78 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 213, 214, 215,
igr2=1262,1263,1264,
&end
#
# 13 VAL QG1 53 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 213, 214, 215,
igr2= 869, 870, 871,
&end
#
# 12 HIS+ HA 13 VAL QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 217, 218, 219,
&end
#
# 13 VAL QG2 53 VAL QG1 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 217, 218, 219,
igr2= 869, 870, 871,
&end
#
# 22 ASP HA 38 VAL QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 637, 638, 639,
&end
#
# 22 ASP HB2 38 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 637, 638, 639,
&end
#
# 35 ILE QG2 38 VAL QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 583, 584, 585,
igr2= 637, 638, 639,
&end
#
# 38 VAL QG1 53 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 633, 634, 635,
&end
#
# 26 ARG QG 38 VAL QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 433, 434,
igr2= 633, 634, 635,
&end
#
# 73 VAL QG1 78 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1171,1172,1173,
igr2=1262,1263,1264,
&end
#
# 38 VAL QG1 53 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 633, 634, 635,
igr2= 869, 870, 871,
&end
#
# 53 VAL QG1 55 PHE HD 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 869, 870, 871,
igr2= 901, 909,
&end
#
# 29 PHE HE 53 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 494, 498,
igr2= 869, 870, 871,
&end
#
# 29 PHE HB3 53 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 869, 870, 871,
&end
#
# 29 PHE HB2 53 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 869, 870, 871,
&end
#
# 25 LEU HB3 53 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 869, 870, 871,
&end
#
# 13 VAL HB 53 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 869, 870, 871,
&end
#
# 11 LEU QD2 53 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 184, 185, 186,
igr2= 869, 870, 871,
&end
#
# 53 VAL QG2 54 THR HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 873, 874, 875,
&end
#
# 39 GLU HN 53 VAL QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 873, 874, 875,
&end
#
# 36 LEU HN 53 VAL QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 873, 874, 875,
&end
#
# 29 PHE HE 53 VAL QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 494, 498,
igr2= 873, 874, 875,
&end
#
# 53 VAL HA 53 VAL QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 873, 874, 875,
&end
#
# 29 PHE HB3 53 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 873, 874, 875,
&end
#
# 38 VAL HB 53 VAL QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 873, 874, 875,
&end
#
# 11 LEU HG 53 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 873, 874, 875,
&end
#
# 11 LEU HB3 53 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 873, 874, 875,
&end
#
# 11 LEU QD2 53 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 184, 185, 186,
igr2= 873, 874, 875,
&end
#
# 38 VAL QG1 53 VAL QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 633, 634, 635,
igr2= 873, 874, 875,
&end
#
# 36 LEU HN 54 THR QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 885, 886, 887,
&end
#
# 37 ASP HA 54 THR QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 885, 886, 887,
&end
#
# 9 LYS HA 54 THR QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 885, 886, 887,
&end
#
# 36 LEU HA 54 THR QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 885, 886, 887,
&end
#
# 37 ASP HB2 54 THR QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 885, 886, 887,
&end
#
# 9 LYS HB3 54 THR QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 885, 886, 887,
&end
#
# 9 LYS HB2 54 THR QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 885, 886, 887,
&end
#
# 36 LEU HB2 54 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 885, 886, 887,
&end
#
# 36 LEU QD2 54 THR QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 609, 610, 611,
igr2= 885, 886, 887,
&end
#
# 71 THR HA 71 THR QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1141,1142,1143,
&end
#
# 71 THR QG2 73 VAL HB 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1141,1142,1143,
&end
#
# 71 THR QG2 73 VAL QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1141,1142,1143,
igr2=1175,1176,1177,
&end
#
# 71 THR QG2 78 ILE QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1141,1142,1143,
igr2=1255,1256,1257,
&end
#
# 71 THR QG2 78 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1141,1142,1143,
igr2=1262,1263,1264,
&end
#
# 68 LEU QD1 71 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1101,1102,1103,
igr2=1141,1142,1143,
&end
#
# 11 LEU QD1 80 VAL HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 180, 181, 182,
&end
#
# 11 LEU QD1 56 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 180, 181, 182,
&end
#
# 11 LEU QD2 29 PHE HD 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 184, 185, 186,
igr2= 492, 500,
&end
#
# 11 LEU QD2 65 ARG QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 184, 185, 186,
igr2=1041,1042,
&end
#
# 11 LEU QD2 55 PHE HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 184, 185, 186,
&end
#
# 11 LEU QD2 65 ARG HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 184, 185, 186,
&end
#
# 11 LEU HB3 11 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 184, 185, 186,
&end
#
# 11 LEU HB2 11 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 184, 185, 186,
&end
#
# 13 VAL HB 14 SER HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 211, 223, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 62 ASP QB 66 GLU HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 989, 990,
&end
#
# 66 GLU HB2 66 GLU HG2 2.75
&rst
ixpk= 0, nxpk= 0, iat=1059,1062, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 62 ASP QB 66 GLU HG3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 989, 990,
&end
#
# 66 GLU HB3 66 GLU HG3 3.03
&rst
ixpk= 0, nxpk= 0, iat=1060,1063, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 27 GLN HA 27 GLN HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 ARG QG 27 GLN HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 433, 434,
&end
#
# 55 PHE HD 61 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 901, 909,
igr2= 979, 980, 981,
&end
#
# 57 ASN HA 61 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 979, 980, 981,
&end
#
# 59 ALA QB 60 ASP HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 957, 958, 959,
&end
#
# 58 SER QB 59 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 946, 947,
igr2= 957, 958, 959,
&end
#
# 59 ALA QB 60 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 957, 958, 959,
&end
#
# 59 ALA QB 62 ASP QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 957, 958, 959,
igr2= 989, 990,
&end
#
# 59 ALA QB 63 ARG HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 957, 958, 959,
&end
#
# 12 HIS+ HN 80 VAL QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1293,1294,1295,
&end
#
# 69 HIS+ HN 80 VAL QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1293,1294,1295,
&end
#
# 29 PHE HE 80 VAL QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 494, 498,
igr2=1293,1294,1295,
&end
#
# 69 HIS+ HA 80 VAL QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1293,1294,1295,
&end
#
# 69 HIS+ HB3 80 VAL QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1293,1294,1295,
&end
#
# 65 ARG HB2 80 VAL QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1293,1294,1295,
&end
#
# 13 VAL QG2 80 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 217, 218, 219,
igr2=1293,1294,1295,
&end
#
# 78 ILE QD1 80 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=1262,1263,1264,
igr2=1293,1294,1295,
&end
#
# 68 LEU QD1 80 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=1101,1102,1103,
igr2=1293,1294,1295,
&end
#
# 14 SER HN 80 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1289,1290,1291,
&end
#
# 68 LEU HN 80 VAL QG1 5.26
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1289,1290,1291,
&end
#
# 29 PHE HE 80 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 494, 498,
igr2=1289,1290,1291,
&end
#
# 29 PHE HZ 80 VAL QG1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1289,1290,1291,
&end
#
# 68 LEU HA 80 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1289,1290,1291,
&end
#
# 65 ARG HA 80 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1289,1290,1291,
&end
#
# 79 GLU QG 80 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=1275,1276,
igr2=1289,1290,1291,
&end
#
# 68 LEU HB3 80 VAL QG1 3.93
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1289,1290,1291,
&end
#
# 68 LEU HG 80 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1289,1290,1291,
&end
#
# 65 ARG QG 80 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1038,1039,
igr2=1289,1290,1291,
&end
#
# 11 LEU QD1 80 VAL QG1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 180, 181, 182,
igr2=1289,1290,1291,
&end
#
# 78 ILE QG2 80 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1255,1256,1257,
igr2=1289,1290,1291,
&end
#
# 78 ILE QD1 80 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1262,1263,1264,
igr2=1289,1290,1291,
&end
#
# 68 LEU QD1 80 VAL QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1101,1102,1103,
igr2=1289,1290,1291,
&end
#
# 72 VAL HA 72 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1155,1156,1157,
&end
#
# 72 VAL QG1 75 GLY HA3 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1155,1156,1157,
&end
#
# 72 VAL QG1 76 ARG HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1155,1156,1157,
&end
#
# 72 VAL QG2 77 LYS HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1159,1160,1161,
&end
#
# 71 THR HA 72 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1159,1160,1161,
&end
#
# 68 LEU QD2 71 THR HB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1105,1106,1107,
&end
#
# 72 VAL QG2 77 LYS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1159,1160,1161,
&end
#
# 73 VAL QG1 78 ILE HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1171,1172,1173,
&end
#
# 20 PHE HE 73 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 335, 339,
igr2=1171,1172,1173,
&end
#
# 73 VAL QG1 74 GLU QG 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1171,1172,1173,
igr2=1188,1189,
&end
#
# 73 VAL QG1 78 ILE HG12 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1171,1172,1173,
&end
#
# 25 LEU QD2 29 PHE HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 420, 421, 422,
&end
#
# 25 LEU QD1 52 PHE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 416, 417, 418,
&end
#
# 20 PHE HD 25 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 333, 341,
igr2= 416, 417, 418,
&end
#
# 25 LEU QD1 51 GLY HA2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 416, 417, 418,
&end
#
# 25 LEU QD1 51 GLY HA3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 416, 417, 418,
&end
#
# 25 LEU QD1 38 VAL HB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 416, 417, 418,
&end
#
# 25 LEU HB3 25 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 416, 417, 418,
&end
#
# 25 LEU QD1 53 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 416, 417, 418,
igr2= 869, 870, 871,
&end
#
# 8 PRO HB3 36 LEU QD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 609, 610, 611,
&end
#
# 64 ALA HA 68 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1105,1106,1107,
&end
#
# 67 LYS QD 68 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1080,1081,
igr2=1105,1106,1107,
&end
#
# 68 LEU QD2 71 THR QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1105,1106,1107,
igr2=1141,1142,1143,
&end
#
# 9 LYS HA 10 ARG HG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 127, 154, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 8 PRO QG 54 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 115, 116,
igr2= 885, 886, 887,
&end
#
# 65 ARG QG 80 VAL HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1038,1039,
&end
#
# 25 LEU HN 26 ARG QG 4.99
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 433, 434,
&end
#
# 26 ARG QG 27 GLN HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 433, 434,
&end
#
# 23 PRO HB3 26 ARG QG 4.66
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 433, 434,
&end
#
# 28 MET HA 28 MET QE 4.35
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 478, 479, 480,
&end
#
# 28 MET HG3 28 MET QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 478, 479, 480,
&end
#
# 28 MET HB3 28 MET QE 3.41
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 478, 479, 480,
&end
#
# 25 LEU HB3 28 MET QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 478, 479, 480,
&end
#
# 25 LEU HB2 28 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 478, 479, 480,
&end
#
# 28 MET QE 53 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 478, 479, 480,
igr2= 869, 870, 871,
&end
#
# 19 ARG HD3 74 GLU QG 5.28
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1188,1189,
&end
#
# 26 ARG HB3 26 ARG HD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 11 LEU QD1 65 ARG QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 180, 181, 182,
igr2=1041,1042,
&end
#
# 32 PHE HE 67 LYS HG3 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 538, 542,
&end
#
# 64 ALA HA 67 LYS HG3 5.05
&rst
ixpk= 0, nxpk= 0, iat=1023,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 67 LYS QB 67 LYS HG3 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1074,1075,
&end
#
# 67 LYS QB 67 LYS HG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1=1074,1075,
&end
#
# 17 PRO HD2 73 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1171,1172,1173,
&end
#
# 16 ILE QG2 17 PRO HD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 254, 255, 256,
&end
#
# 16 ILE QG2 17 PRO HD3 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 254, 255, 256,
&end
#
# 23 PRO HD3 24 ASP HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 21 ARG HA 23 PRO HD3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 347, 383, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 21 ARG HB3 23 PRO HD3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 350, 383, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 23 PRO HD3 38 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 637, 638, 639,
&end
#
# 23 PRO HA 27 GLN HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 391, 450, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 23 PRO HA 26 ARG HD3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 391, 437, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 23 PRO HA 26 ARG HD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 391, 436, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 23 PRO HA 26 ARG HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 391, 431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 THR HB 78 ILE HG13 4.78
&rst
ixpk= 0, nxpk= 0, iat=1139,1260, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 68 LEU HB2 71 THR HB 4.47
&rst
ixpk= 0, nxpk= 0, iat=1096,1139, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 71 THR HB 73 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1171,1172,1173,
&end
#
# 71 THR HB 78 ILE QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1262,1263,1264,
&end
#
# 23 PRO HG2 24 ASP HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 385, 395, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 LEU HB2 12 HIS+ HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 175, 190, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 17 PRO HG2 74 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1188,1189,
&end
#
# 17 PRO HG2 74 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1185,1186,
&end
#
# 17 PRO HG2 76 ARG HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 271,1207, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 28 MET QE 29 PHE HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 478, 479, 480,
&end
#
# 34 LYS HG2 35 ILE HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 562, 577, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 34 LYS HG3 35 ILE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 563, 577, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 36 LEU HA 36 LEU QD2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 609, 610, 611,
&end
#
# 39 GLU HA 39 GLU QG 3.93
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 650, 651,
&end
#
# 41 ILE HN 51 GLY HA2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 677, 838, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 41 ILE QG1 51 GLY HA2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 687, 688,
&end
#
# 40 ILE QD1 51 GLY HA2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 671, 672, 673,
&end
#
# 40 ILE QG2 51 GLY HA2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 664, 665, 666,
&end
#
# 40 ILE HG13 51 GLY HA3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 669, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 VAL QG2 51 GLY HA3 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 217, 218, 219,
&end
#
# 11 LEU QD1 56 GLU HG3 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 180, 181, 182,
&end
#
# 57 ASN HA 58 SER HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 930, 944, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 15 ASN QB 78 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 238, 239,
&end
#
# 78 ILE HG12 80 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1289,1290,1291,
&end
#
# 62 ASP HA 65 ARG HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 987,1035, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 65 ARG HB3 66 GLU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat=1036,1055, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 62 ASP HA 65 ARG HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 987,1036, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 65 ARG HB3 80 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1293,1294,1295,
&end
#
# 11 LEU QD1 65 ARG HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 180, 181, 182,
&end
#
# 66 GLU HA 68 LEU HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=1057,1092, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 66 GLU HA 69 HIS+ HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=1057,1116, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 66 GLU HA 66 GLU HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat=1057,1063, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 66 GLU HA 66 GLU HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1057,1062, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 66 GLU HA 66 GLU HB3 2.91
&rst
ixpk= 0, nxpk= 0, iat=1057,1060, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 65 ARG QG 66 GLU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1038,1039,
&end
#
# 69 HIS+ HA 71 THR HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1113,1135, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 69 HIS+ HA 70 GLY HA2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1113,1130, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 69 HIS+ HA 80 VAL QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1289,1290,1291,
&end
#
# 69 HIS+ HB3 80 VAL QG1 4.65
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1289,1290,1291,
&end
#
# 69 HIS+ HB2 80 VAL QG1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1289,1290,1291,
&end
#
# 69 HIS+ HA 70 GLY HA3 4.75
&rst
ixpk= 0, nxpk= 0, iat=1113,1131, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 70 GLY HA3 77 LYS QE 4.85
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1240,1241,
&end
#
# 70 GLY HA3 77 LYS HG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1131,1234, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 70 GLY HA2 77 LYS QE 4.81
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1240,1241,
&end
#
# 70 GLY HA2 77 LYS HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1130,1234, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 72 VAL HA 77 LYS HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1151,1234, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 72 VAL HA 72 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1159,1160,1161,
&end
#
# 74 GLU HB3 76 ARG HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1186,1207, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 73 VAL QG1 74 GLU HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1171,1172,1173,
&end
#
# 73 VAL QG1 76 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1171,1172,1173,
&end
#
# 14 SER HB2 79 GLU QG 5.08
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1275,1276,
&end
#
# 12 HIS+ HN 82 ASN HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 190,1315, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 11 LEU HA 82 ASN HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= 173,1315, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 13 VAL HA 14 SER HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 209, 225, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 82 ASN HA 83 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1331,1332,1333,
&end
#
# 80 VAL QG2 82 ASN HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1293,1294,1295,
&end
#
# 11 LEU QD1 82 ASN HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 180, 181, 182,
&end
#
# 72 VAL HA 76 ARG HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1151,1203, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 18 PHE HA 18 PHE HD 3.32
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 289, 297,
&end
#
# 18 PHE HE 49 GLY HA3 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 291, 295,
&end
#
# 29 PHE HA 29 PHE HD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 492, 500,
&end
#
# 32 PHE HA 32 PHE HD 3.19
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 536, 544,
&end
#
# 42 PHE HA 42 PHE HD 4.17
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 704, 712,
&end
#
# 55 PHE HA 55 PHE HD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 901, 909,
&end
#
# 32 PHE HA 32 PHE HE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 538, 542,
&end
#
# 55 PHE HE 61 ALA HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 903, 907,
&end
#
# 29 PHE HA 29 PHE HE 4.80
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 494, 498,
&end
#
# 50 PHE HA 50 PHE HD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 824, 832,
&end
#
# 26 ARG HA 28 MET HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 428, 467, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 69 HIS+ HB3 69 HIS+ HD2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1116,1124, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 HIS+ HB2 69 HIS+ HD2 3.37
&rst
ixpk= 0, nxpk= 0, iat=1115,1124, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 55 PHE HD 55 PHE HZ 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 901, 909,
&end
#
# 50 PHE HD 50 PHE HZ 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 824, 832,
&end
#
# 25 LEU QD2 29 PHE HD 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 420, 421, 422,
igr2= 492, 500,
&end
#
# 29 PHE HN 29 PHE HD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 492, 500,
&end
#
# 11 LEU HN 54 THR HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 171, 881, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 38 VAL HA 54 THR HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 629, 879, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 39 GLU HN 53 VAL HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 643, 865, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 22 ASP HA 39 GLU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 371, 643, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 50 PHE HB3 51 GLY HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 821, 836, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 52 PHE HB2 53 VAL HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 847, 863, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 38 VAL HB 39 GLU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 631, 643, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 67 LYS QB 68 LEU HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1074,1075,
&end
#
# 65 ARG HN 80 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1293,1294,1295,
&end
#
# 11 LEU QD2 12 HIS+ HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 184, 185, 186,
&end
#
# 41 ILE QD1 52 PHE HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 690, 691, 692,
&end
#
# 38 VAL QG2 54 THR HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 637, 638, 639,
&end
#
# 11 LEU HN 11 LEU QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 180, 181, 182,
&end
#
# 38 VAL QG1 54 THR HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 633, 634, 635,
&end
#
# 38 VAL QG1 39 GLU HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 633, 634, 635,
&end
#
# 13 VAL QG2 51 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 217, 218, 219,
&end
#
# 35 ILE HG12 54 THR HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 587, 879, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 39 GLU HN 53 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 869, 870, 871,
&end
#
# 13 VAL HN 53 VAL QG1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 869, 870, 871,
&end
#
# 12 HIS+ HD2 50 PHE HE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 826, 830,
&end
#
# 69 HIS+ HE1 79 GLU HA 3.22
&rst
ixpk= 0, nxpk= 0, iat=1120,1270, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 54 THR HA 55 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 901, 909,
&end
#
# 69 HIS+ HE1 80 VAL HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=1120,1285, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 29 PHE HZ 80 VAL HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 496,1285, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 12 HIS+ HE1 14 SER HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 199, 225, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 14 SER HA 50 PHE HD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 824, 832,
&end
#
# 58 SER HA 60 ASP HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 944, 963, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 60 ASP HA 64 ALA HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 965,1021, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 50 PHE HD 51 GLY HA2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 824, 832,
&end
#
# 35 ILE HA 55 PHE HD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 901, 909,
&end
#
# 66 GLU HA 69 HIS+ HD2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1057,1124, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 50 PHE HD 51 GLY HA3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 824, 832,
&end
#
# 18 PHE HD 47 SER HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 289, 297,
&end
#
# 32 PHE HB3 55 PHE HE 4.01
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 903, 907,
&end
#
# 69 HIS+ HB3 69 HIS+ HE1 5.13
&rst
ixpk= 0, nxpk= 0, iat=1116,1120, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 32 PHE HB2 55 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 532, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 PHE HB2 55 PHE HE 4.32
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 903, 907,
&end
#
# 17 PRO HD3 20 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 335, 339,
&end
#
# 60 ASP HB3 61 ALA HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 968, 975, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 12 HIS+ HB2 50 PHE HE 4.54
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 826, 830,
&end
#
# 55 PHE HZ 61 ALA HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 905, 977, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 20 PHE HE 74 GLU QG 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 335, 339,
igr2=1188,1189,
&end
#
# 64 ALA HA 67 LYS HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1023,1070, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 32 PHE HD 64 ALA HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 536, 544,
&end
#
# 32 PHE HE 64 ALA HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 538, 542,
&end
#
# 32 PHE HZ 64 ALA HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 540,1023, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 69 HIS+ HD2 80 VAL HB 5.16
&rst
ixpk= 0, nxpk= 0, iat=1124,1287, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 28 MET QE 29 PHE HD 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 478, 479, 480,
igr2= 492, 500,
&end
#
# 28 MET HN 28 MET QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 478, 479, 480,
&end
#
# 20 PHE HD 28 MET QE 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 333, 341,
igr2= 478, 479, 480,
&end
#
# 63 ARG HB3 64 ALA HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=1002,1021, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 69 HIS+ HE1 79 GLU QG 3.34
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1275,1276,
&end
#
# 28 MET HN 28 MET HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 467, 474, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 20 PHE HD 24 ASP HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 333, 341,
&end
#
# 31 GLN HG3 32 PHE HE 5.19
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 538, 542,
&end
#
# 69 HIS+ HE1 79 GLU HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat=1120,1273, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 21 ARG HB2 24 ASP HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 349, 395, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 74 GLU HB2 75 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1185,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 ILE HB 79 GLU HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=1253,1268, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 74 GLU HB2 76 ARG HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=1185,1203, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 72 VAL HB 76 ARG HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=1153,1203, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 16 ILE HN 16 ILE HG12 3.65
&rst
ixpk= 0, nxpk= 0, iat= 248, 258, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 34 LYS QB 55 PHE HE 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 559, 560,
igr2= 903, 907,
&end
#
# 32 PHE HE 67 LYS QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 538, 542,
igr2=1074,1075,
&end
#
# 64 ALA HN 67 LYS QB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1074,1075,
&end
#
# 17 PRO HD2 20 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 335, 339,
&end
#
# 17 PRO HD2 20 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 333, 341,
&end
#
# 34 LYS QD 55 PHE HE 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 565, 566,
igr2= 903, 907,
&end
#
# 32 PHE HD 67 LYS HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 536, 544,
&end
#
# 32 PHE HD 67 LYS HG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 536, 544,
&end
#
# 40 ILE HG13 41 ILE HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 669, 677, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 32 PHE HE 67 LYS HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 538, 542,
&end
#
# 32 PHE HZ 67 LYS HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 540,1077, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 52 PHE HD 83 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 851, 859,
igr2=1331,1332,1333,
&end
#
# 29 PHE HE 68 LEU HG 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 494, 498,
&end
#
# 32 PHE HD 68 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 536, 544,
&end
#
# 17 PRO HG3 20 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 335, 339,
&end
#
# 32 PHE HD 34 LYS HG3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 536, 544,
&end
#
# 41 ILE QG1 50 PHE HZ 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 687, 688,
&end
#
# 41 ILE QG1 52 PHE HD 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 687, 688,
igr2= 851, 859,
&end
#
# 41 ILE QG1 50 PHE HE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 687, 688,
igr2= 826, 830,
&end
#
# 55 PHE HE 61 ALA QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 903, 907,
igr2= 979, 980, 981,
&end
#
# 35 ILE HG13 55 PHE HD 3.44
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 901, 909,
&end
#
# 17 PRO HG2 20 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 335, 339,
&end
#
# 37 ASP HN 54 THR QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 885, 886, 887,
&end
#
# 32 PHE HE 64 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 538, 542,
igr2=1025,1026,1027,
&end
#
# 64 ALA HN 64 ALA QB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1025,1026,1027,
&end
#
# 32 PHE HD 64 ALA QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 536, 544,
igr2=1025,1026,1027,
&end
#
# 11 LEU QD2 55 PHE HD 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 184, 185, 186,
igr2= 901, 909,
&end
#
# 32 PHE HD 68 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 536, 544,
&end
#
# 11 LEU QD2 29 PHE HE 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 184, 185, 186,
igr2= 494, 498,
&end
#
# 69 HIS+ HE1 80 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1293,1294,1295,
&end
#
# 69 HIS+ HD2 80 VAL QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1293,1294,1295,
&end
#
# 11 LEU QD2 29 PHE HZ 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 184, 185, 186,
&end
#
# 25 LEU QD2 29 PHE HE 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 420, 421, 422,
igr2= 494, 498,
&end
#
# 20 PHE HD 25 LEU QD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 333, 341,
igr2= 420, 421, 422,
&end
#
# 41 ILE QD1 52 PHE HD 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 690, 691, 692,
igr2= 851, 859,
&end
#
# 41 ILE QD1 50 PHE HZ 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 690, 691, 692,
&end
#
# 41 ILE HB 50 PHE HD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 824, 832,
&end
#
# 41 ILE HB 50 PHE HZ 5.24
&rst
ixpk= 0, nxpk= 0, iat= 681, 828, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 11 LEU QD1 29 PHE HZ 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 180, 181, 182,
&end
#
# 25 LEU QD1 29 PHE HD 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 416, 417, 418,
igr2= 492, 500,
&end
#
# 41 ILE QG2 50 PHE HD 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 683, 684, 685,
igr2= 824, 832,
&end
#
# 41 ILE QG2 50 PHE HE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 683, 684, 685,
igr2= 826, 830,
&end
#
# 41 ILE QG2 50 PHE HZ 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 683, 684, 685,
&end
#
# 13 VAL QG2 29 PHE HZ 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 217, 218, 219,
&end
#
# 13 VAL QG2 29 PHE HE 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 217, 218, 219,
igr2= 494, 498,
&end
#
# 32 PHE HD 68 LEU QD2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 536, 544,
igr2=1105,1106,1107,
&end
#
# 32 PHE HE 68 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 538, 542,
igr2=1105,1106,1107,
&end
#
# 13 VAL QG1 29 PHE HE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 213, 214, 215,
igr2= 494, 498,
&end
#
# 13 VAL QG1 29 PHE HZ 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 213, 214, 215,
&end
#
# 29 PHE HZ 78 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1262,1263,1264,
&end
#
# 40 ILE QG2 42 PHE HE 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 664, 665, 666,
igr2= 706, 710,
&end
#
# 29 PHE HD 53 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 492, 500,
igr2= 873, 874, 875,
&end
#
# 53 VAL QG2 55 PHE HD 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 873, 874, 875,
igr2= 901, 909,
&end
#
# 53 VAL QG2 55 PHE HE 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 873, 874, 875,
igr2= 903, 907,
&end
#
# 29 PHE HD 53 VAL QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 492, 500,
igr2= 869, 870, 871,
&end
#
# 35 ILE QD1 55 PHE HD 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 590, 591, 592,
igr2= 901, 909,
&end
#
# 35 ILE QD1 55 PHE HE 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 590, 591, 592,
igr2= 903, 907,
&end
#
# 29 PHE HD 68 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 492, 500,
igr2=1101,1102,1103,
&end
#
# 29 PHE HE 68 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 494, 498,
igr2=1101,1102,1103,
&end
#
# 29 PHE HZ 68 LEU QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1101,1102,1103,
&end
#
# 32 PHE HD 68 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 536, 544,
igr2=1101,1102,1103,
&end
#
# 18 PHE HE 49 GLY HA2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 291, 295,
&end
#
# 18 PHE HE 48 LYS HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 291, 295,
&end
#
# 10 ARG HA 54 THR HA 3.28
&rst
ixpk= 0, nxpk= 0, iat= 149, 881, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 52 PHE HA 53 VAL HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 845, 865, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 12 HIS+ HA 12 HIS+ HD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 192, 203, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 12 HIS+ HD2 50 PHE HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 203, 821, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 12 HIS+ HD2 50 PHE HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 203, 820, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 10 ARG HA 10 ARG HD3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 149, 158, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 10 ARG HA 10 ARG HD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 149, 157, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 12 HIS+ HB2 52 PHE HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 194, 845, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 10 ARG HA 54 THR QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 885, 886, 887,
&end
#
# 52 PHE HA 53 VAL QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 869, 870, 871,
&end
#
# 69 HIS+ HA 79 GLU HA 4.18
&rst
ixpk= 0, nxpk= 0, iat=1113,1270, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 12 HIS+ HB2 83 ALA HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 194,1329, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 12 HIS+ HB3 83 ALA HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= 195,1329, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 79 GLU HA 79 GLU QG 3.45
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1275,1276,
&end
#
# 11 LEU HA 56 GLU HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 173, 917, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 11 LEU HA 11 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 184, 185, 186,
&end
#
# 11 LEU HA 11 LEU QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 180, 181, 182,
&end
#
# 12 HIS+ HD2 52 PHE HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 203, 845, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 12 HIS+ HD2 52 PHE HD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 851, 859,
&end
#
# 12 HIS+ HD2 50 PHE HD 3.46
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 824, 832,
&end
#
# 52 PHE HA 53 VAL HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 52 PHE HA 53 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 873, 874, 875,
&end
#
# 12 HIS+ HD2 50 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 203, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 VAL QG2 52 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 217, 218, 219,
&end
#
# 10 ARG HB3 11 LEU HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 152, 171, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 10 ARG HG3 11 LEU HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 155, 171, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 18 PHE HB2 89 RU H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 285,1432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 PHE HB3 89 RU H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 286,1432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 ARG HB2 89 RU H1' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 749,1427, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 45 ARG HB3 89 RU H1' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 750,1427, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 45 ARG HD2 89 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 755,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ARG HD3 89 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 756,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ARG HA 89 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 747,1427, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ARG QG 89 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 752, 753,
&end
#
# 18 PHE HE 90 RG H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 295,
&end
#
# 18 PHE HZ 90 RG H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 293,1460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 PHE HN 90 RG H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 281,1466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 PHE HE 90 RG H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 295,
&end
#
# 18 PHE QB 90 RG H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 285, 286,
&end
#
# 18 PHE HD 90 RG H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 289, 297,
&end
#
# 17 PRO HA 90 RG H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 277,1466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 ASN HA 90 RG H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 236,1466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 ILE HN 90 RG H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 248,1466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 PHE HZ 90 RG Q5' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1451,1452,
&end
#
# 18 PHE HE 90 RG Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 291, 295,
igr2=1451,1452,
&end
#
# 18 PHE HZ 91 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 293,1494, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 LYS HA 91 RC H5 3.00
&rst
ixpk= 0, nxpk= 0, iat= 789,1496, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 PHE HZ 91 RC H5 3.00
&rst
ixpk= 0, nxpk= 0, iat= 293,1496, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 HIS+ HD2 92 RA H2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 203,1534, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 SER HA 92 RA H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 225,1534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 SER QB 92 RA H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 227, 228,
&end
#
# 15 ASN HA 92 RA H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 236,1534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 PHE HE 92 RA H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 826, 830,
&end
#
# 50 PHE HD 92 RA H2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 824, 832,
&end
#
# 50 PHE HA 92 RA H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 818,1534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 PHE HB3 92 RA H2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 821,1534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 PHE HB2 92 RA H2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 820,1534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 ASN HN 92 RA H2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 234,1534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 PHE HD 92 RA H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 824, 832,
&end
#
# 50 PHE HE 92 RA H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 826, 830,
&end
#
# 50 PHE HZ 92 RA H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 828,1522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 HIS+ HE1 92 RA H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 199,1522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 ILE QG2 95 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 683, 684, 685,
&end
#
# 41 ILE QD1 94 RG H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 690, 691, 692,
&end
#
# 41 ILE QG2 94 RG H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 683, 684, 685,
&end
#
# 39 GLU HB2 94 RG H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 647,1588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 GLU HB3 94 RG H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 648,1588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 GLU QG 94 RG H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 650, 651,
&end
#
# 86 ARG QD 94 RG H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1371,1372,
&end
#
# 41 ILE QG1 94 RG H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 687, 688,
&end
#
# 41 ILE QG2 94 RG H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 683, 684, 685,
&end
#
# 41 ILE QD1 94 RG H1' 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 690, 691, 692,
&end
#
# 39 GLU HB3 94 RG H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648,1585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 ARG QD 94 RG H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1371,1372,
&end
#
# 41 ILE QD1 94 RG H2' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 690, 691, 692,
&end
#
# 86 ARG QG 94 RG H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1368,1369,
&end
#
# 86 ARG HA 94 RG H2' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1363,1604, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 86 ARG QD 94 RG H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1371,1372,
&end
#
# 41 ILE QD1 94 RG H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 690, 691, 692,
&end
#
# 41 ILE QG1 94 RG H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 687, 688,
&end
#
# 41 ILE QG2 94 RG H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 683, 684, 685,
&end
#
# 50 PHE HD 94 RG H4' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 824, 832,
&end
#
# 52 PHE HD 94 RG H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 851, 859,
&end
#
# 52 PHE HE 94 RG H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 853, 857,
&end
#
# 12 HIS+ HD2 93 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= 203,1558, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 THR QG2 93 RU H6 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1343,1344,1345,
&end
#
# 12 HIS+ HD2 93 RU H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= 203,1560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 HIS+ HE1 93 RU H5 3.50
&rst
ixpk= 0, nxpk= 0, iat= 199,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 THR QG2 93 RU H5 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1343,1344,1345,
&end
#
# 50 PHE HE 93 RU H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 826, 830,
&end
#
# 52 PHE HD 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 851, 859,
&end
#
# 84 THR QG2 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1343,1344,1345,
&end
#
# 83 ALA QB 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1331,1332,1333,
&end
#
# 84 THR HB 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1341,1555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 ALA HA 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 HIS+ HD2 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 203,1555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 PHE HE 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 853, 857,
&end
#
# 84 THR QG2 93 RU H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1343,1344,1345,
&end
#
# 52 PHE HD 93 RU H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 851, 859,
&end
#
# 50 PHE HD 93 RU H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 824, 832,
&end
#
# 50 PHE HE 93 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 826, 830,
&end
#
# 89 RU H6 89 RU H5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1430,1421, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU H6 89 RU H5'' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1430,1422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU H5 89 RU H1' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1432,1427, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 89 RU H5 89 RU H2' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1432,1442, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 89 RU H1' 89 RU H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 RU H1' 89 RU H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1427,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 RU H3' 90 RG H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1440,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 RU H3' 90 RG H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1440,1452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 RU H2' 90 RG H5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1451, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 RU H2' 90 RG H5'' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1452, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 RG H8 90 RG H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1460,1457, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 RG H8 90 RG H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1460,1476, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 90 RG H8 90 RG H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1460,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 RG H8 90 RG H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1460,1454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H6 91 RC H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 RC H6 91 RC H2' 2.70
&rst
ixpk= 0, nxpk= 0, iat=1494,1507, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 91 RC H6 91 RC H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 RC H6 91 RC H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H6 91 RC H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H6 91 RC H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H5 91 RC H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1496,1507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 RC H5 91 RC H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1496,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H1' 91 RC H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1491,1505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 RC H1' 91 RC H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1491,1507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 RC H1' 91 RC Q5' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1485,1486,
&end
#
# 91 RC H6 90 RG H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 RC H6 90 RG H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 RC H6 90 RG H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 RA H8 92 RA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 RA H8 92 RA H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1525,1540, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 92 RA H8 92 RA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1538, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 RA H8 92 RA H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 RA H8 92 RA Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1516,1517,
&end
#
# 92 RA H8 91 RC H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 RA H8 91 RC H2' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1507, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 92 RA H8 91 RC Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1485,1486,
&end
#
# 92 RA H1' 93 RU H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1522,1549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 RA H1' 93 RU H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1522,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 RU H6 95 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RU H6 95 RU H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1632, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RU H6 95 RU H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1622,1634, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 RU H6 95 RU Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1613,1614,
&end
#
# 95 RU H5 95 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RU H5 95 RU H3' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1632, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 95 RU H1' 95 RU H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1619,1613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 RU H1' 95 RU H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1619,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 RU H1' 95 RU H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1619,1632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 RG H8 94 RG H4' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1588,1582, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 94 RG H8 94 RG H3' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1588,1602, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 94 RG H8 94 RG H1' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1588,1585, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 94 RG H8 94 RG H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1588,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 RG H8 95 RU H2' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1588,1634, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 94 RG H8 95 RU H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1588,1632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 RG H1' 94 RG H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 RG H1' 94 RG H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 RG H1' 95 RU H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 RG H1' 95 RU H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1632, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RU H6 93 RU H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RU H6 93 RU H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1568, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 RU H6 93 RU H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1558,1570, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 93 RU H6 93 RU H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 RU H6 93 RU H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 RU H6 93 RU H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1552, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 RU H5 93 RU H3' 7.00
&rst
ixpk= 0, nxpk= 0, iat=1560,1568, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 93 RU H5 93 RU H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1560,1570, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RU H1' 93 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1555,1552, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RU H1' 93 RU H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1555,1568, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RU H4' 94 RG H5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1552,1579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 RU H4' 94 RG H5'' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1552,1580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 RU H4' 94 RG H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1552,1582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RU H5'' 94 RG H5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1550,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 RU H5' 94 RG H5' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1549,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 RU H3' 94 RG Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1579,1580,
&end
#
# 18 PHE HD 16 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 289, 297,
igr2= 261, 262, 263,
&end
#
# 18 PHE HD 18 PHE QB 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 289, 297,
igr2= 285, 286,
&end
#
# 18 PHE HD 47 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 289, 297,
&end
#
# 18 PHE HD 47 SER QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 289, 297,
igr2= 780, 781,
&end
#
# 18 PHE HD 18 PHE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 289, 297,
&end
#
# 18 PHE HD 49 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 289, 297,
igr2= 811, 812,
&end
#
# 18 PHE HD 18 PHE HE 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 289, 297,
igr2= 291, 295,
&end
#
# 18 PHE HE 18 PHE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 291, 295,
igr2= 285, 286,
&end
#
# 18 PHE HE 48 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 295,
&end
#
# 18 PHE HE 49 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 295,
&end
#
# 18 PHE HE 49 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 295,
&end
#
# 18 PHE HZ 18 PHE HE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 291, 295,
&end
#
# 30 GLY QA 33 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 506, 507,
&end
#
# 30 GLY QA 35 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 506, 507,
igr2= 590, 591, 592,
&end
#
# 30 GLY QA 35 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 506, 507,
igr2= 587, 588,
&end
#
# 30 GLY QA 35 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 506, 507,
&end
#
# 30 GLY HN 35 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 590, 591, 592,
&end
#
# 30 GLY HN 35 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 30 GLY HN 35 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 504, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLY HN 28 MET QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 471, 472,
&end
#
# 30 GLY HN 29 PHE QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 488, 489,
&end
#
# 30 GLY HN 26 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 504, 428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 GLY HN 30 GLY QA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 506, 507,
&end
#
# 30 GLY HN 29 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 504, 486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 GLY HN 31 GLN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 GLY HN 33 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 504, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLY HN 31 GLN HNE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 504, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 GLN HN 31 GLN QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 518, 519,
&end
#
# 31 GLN HN 31 GLN HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 GLN HN 30 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 506, 507,
&end
#
# 31 GLN HN 32 PHE HD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 536, 544,
&end
#
# 31 GLN HN 32 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 GLN HN 30 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 GLN HA 31 GLN QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 515, 516,
&end
#
# 31 GLN HA 31 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 GLN HA 32 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 513, 528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LYS HN 67 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1077,1078,
&end
#
# 67 LYS HN 67 LYS QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1074,1075,
&end
#
# 67 LYS HN 66 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1070,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LYS HN 67 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1070,1072, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 LYS HN 32 PHE HD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 536, 544,
&end
#
# 67 LYS HN 68 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1070,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 PHE HN 31 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 528, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 PHE HN 31 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 528, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 PHE HN 31 GLN QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 518, 519,
&end
#
# 32 PHE QB 64 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 532, 533,
igr2=1025,1026,1027,
&end
#
# 32 PHE QB 29 PHE QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 532, 533,
igr2= 488, 489,
&end
#
# 32 PHE QB 32 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 532, 533,
&end
#
# 32 PHE QB 32 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 532, 533,
igr2= 538, 542,
&end
#
# 32 PHE QB 32 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 532, 533,
igr2= 536, 544,
&end
#
# 32 PHE QB 29 PHE HD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 532, 533,
igr2= 492, 500,
&end
#
# 32 PHE QB 64 ALA HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 532, 533,
&end
#
# 29 PHE HA 68 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1101,1102,1103,
&end
#
# 29 PHE HA 35 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 590, 591, 592,
&end
#
# 29 PHE HA 29 PHE QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 488, 489,
&end
#
# 29 PHE HA 32 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 536, 544,
&end
#
# 29 PHE HA 29 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 492, 500,
&end
#
# 29 PHE HA 29 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 MET HA 31 GLN QE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 523, 524,
&end
#
# 68 LEU HA 71 THR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1094,1135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 PHE HE 12 HIS+ HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 853, 857,
&end
#
# 50 PHE HN 49 GLY HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 816, 809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 PHE HE 49 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 295,
&end
#
# 49 GLY QA 18 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 811, 812,
igr2= 291, 295,
&end
#
# 43 ASN QD2 48 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 725, 726,
igr2= 800, 801,
&end
#
# 43 ASN QD2 91 RC H41 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 725, 726,
&end
#
# 43 ASN QD2 91 RC H42 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 725, 726,
&end
#
# 45 ARG HN 44 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 745, 732, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ARG HN 44 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 734, 735,
&end
#
# 45 ARG HA 44 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 734, 735,
&end
#
# 47 SER HA 42 PHE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 778, 698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 SER QB 18 PHE HD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 780, 781,
igr2= 289, 297,
&end
#
# 48 LYS HN 42 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 787, 698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 LYS HA 91 RC H41 4.00
&rst
ixpk= 0, nxpk= 0, iat= 789,1499, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 LYS HA 91 RC H42 4.00
&rst
ixpk= 0, nxpk= 0, iat= 789,1500, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ASN HA 16 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ASN QD2 76 ARG QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 243, 244,
igr2=1207,1208,
&end
#
# 16 ILE HB 17 PRO QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 268, 269,
&end
#
# 16 ILE HB 20 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 333, 341,
&end
#
# 16 ILE QG2 14 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 254, 255, 256,
&end
#
# 16 ILE QD1 20 PHE HE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 261, 262, 263,
igr2= 335, 339,
&end
#
# 16 ILE QD1 20 PHE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 261, 262, 263,
igr2= 329, 330,
&end
#
# 16 ILE QD1 40 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 261, 262, 263,
igr2= 664, 665, 666,
&end
#
# 17 PRO QB 20 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 274, 275,
igr2= 333, 341,
&end
#
# 17 PRO QB 20 PHE HE 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 274, 275,
igr2= 335, 339,
&end
#
# 17 PRO QD 78 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 268, 269,
igr2=1255,1256,1257,
&end
#
# 20 PHE HN 17 PRO QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 274, 275,
&end
#
# 20 PHE HN 17 PRO QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 271, 272,
&end
#
# 20 PHE HD 25 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 333, 341,
igr2= 416, 417, 418,
&end
#
# 20 PHE HD 25 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 333, 341,
igr2= 420, 421, 422,
&end
#
# 20 PHE HD 73 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 333, 341,
igr2=1171,1172,1173,
&end
#
# 20 PHE HD 16 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 333, 341,
igr2= 261, 262, 263,
&end
#
# 20 PHE HD 16 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 333, 341,
igr2= 254, 255, 256,
&end
#
# 20 PHE HD 24 ASP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 333, 341,
igr2= 399, 400,
&end
#
# 20 PHE HD 16 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 333, 341,
&end
#
# 20 PHE HD 17 PRO QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 333, 341,
igr2= 274, 275,
&end
#
# 20 PHE HD 28 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= 333, 341,
igr2= 478, 479, 480,
&end
#
# 20 PHE HD 17 PRO QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 333, 341,
igr2= 268, 269,
&end
#
# 20 PHE HD 17 PRO QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 333, 341,
igr2= 271, 272,
&end
#
# 20 PHE HE 25 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 335, 339,
igr2= 416, 417, 418,
&end
#
# 20 PHE HE 25 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 335, 339,
igr2= 420, 421, 422,
&end
#
# 20 PHE HD 17 PRO QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 333, 341,
igr2= 274, 275,
&end
#
# 18 PHE HE 91 RC H5 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 291, 295,
&end
#
# 18 PHE HE 91 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 291, 295,
&end
#
# 45 ARG QG 91 RC H41 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 752, 753,
&end
#
# 45 ARG QG 91 RC H42 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 752, 753,
&end
#
# 45 ARG QB 91 RC H42 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 749, 750,
&end
#
# 45 ARG QB 91 RC H41 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 749, 750,
&end
#
# 48 LYS HA 91 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 789,1494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU5 H2' 91 RC H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 PRO QB 54 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 118, 119,
igr2= 885, 886, 887,
&end
#
# 8 PRO QG 36 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 115, 116,
igr2= 609, 610, 611,
&end
#
# 8 PRO HA 57 ASN HND 4.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 937, 938,
&end
#
# 55 PHE HA 36 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 895, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HA 37 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 895, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HA 53 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 869, 870, 871,
&end
#
# 55 PHE HA 35 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 583, 584, 585,
&end
#
# 55 PHE HA 8 PRO QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 112, 113,
&end
#
# 55 PHE HA 35 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 895, 579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 PHE HA 36 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 895, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ILE QG2 42 PHE HZ 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 664, 665, 666,
&end
#
# 40 ILE QG2 42 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 664, 665, 666,
igr2= 704, 712,
&end
#
# 41 ILE HA 42 PHE HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 696, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 SER HA 42 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 704, 712,
&end
#
# 43 ASN QB 43 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 720, 721,
&end
#
# 48 LYS QG 43 ASN HND 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 794, 795,
igr2= 725, 726,
&end
#
# 48 LYS HN 49 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 LYS QE 41 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 800, 801,
&end
#
# 49 GLY HA2 50 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 811, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 GLY HA3 50 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 PHE HA 40 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 664, 665, 666,
&end
#
# 42 PHE HA 40 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 671, 672, 673,
&end
#
# 42 PHE HA 48 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 794, 795,
&end
#
# 42 PHE QB 43 ASN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 700, 701,
&end
#
# 42 PHE HD 47 SER QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 704, 712,
igr2= 780, 781,
&end
#
# 42 PHE HD 46 GLY QA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 704, 712,
igr2= 771, 772,
&end
#
# 42 PHE HE 47 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 706, 710,
&end
#
# 43 ASN HN 42 PHE QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 700, 701,
&end
#
# 43 ASN HN 47 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 716, 778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ASN HN 43 ASN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 716, 718, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 43 ASN HN 42 PHE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 716, 698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 ASN QB 43 ASN HND1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 720, 721,
&end
#
# 46 GLY QA 19 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 771, 772,
igr2= 311, 312,
&end
#
# 46 GLY QA 42 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 771, 772,
igr2= 704, 712,
&end
#
# 46 GLY HN 45 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 769, 747, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 GLY HN 45 ARG QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 749, 750,
&end
#
# 47 SER HN 42 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 704, 712,
&end
#
# 47 SER HN 42 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 706, 710,
&end
#
# 47 SER HN 42 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 776, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 SER HN 18 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 289, 297,
&end
#
# 47 SER HA 42 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 704, 712,
&end
#
# 47 SER HA 42 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 706, 710,
&end
#
# 47 SER HA 42 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 778, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 SER HA 18 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 289, 297,
&end
#
# 47 SER HA 40 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 664, 665, 666,
&end
#
# 47 SER QB 47 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 780, 781,
&end
#
# 47 SER QB 18 PHE HD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 780, 781,
igr2= 289, 297,
&end
#
# 47 SER QB 40 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 780, 781,
igr2= 664, 665, 666,
&end
#
# 48 LYS QB 41 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 791, 792,
&end
#
# 48 LYS QG 43 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 794, 795,
&end
#
# 48 LYS QE 41 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 800, 801,
&end
#
# 49 GLY HN 18 PHE HD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 289, 297,
&end
#
# 49 GLY HN 48 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 809, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 GLY QA 90 RG H1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 811, 812,
&end
#
# 49 GLY QA 16 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 811, 812,
igr2= 261, 262, 263,
&end
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