NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492443 |
2kbi   |
16045 | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
#
# 8 SER HA 9 VAL H 3.234
&rst
ixpk= 0, nxpk= 0, iat= 94, 103, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 9 VAL H 9 VAL HB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 103, 107, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 9 VAL H 10 ALA H 4.829
&rst
ixpk= 0, nxpk= 0, iat= 103, 119, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 9 VAL HA 10 ALA H 3.256
&rst
ixpk= 0, nxpk= 0, iat= 105, 119, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 8 SER QB 10 ALA H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 96, 97,
&end
#
# 9 VAL HB 10 ALA H 4.884
&rst
ixpk= 0, nxpk= 0, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 10 ALA H 10 ALA QB 3.619
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 123, 124, 125,
&end
#
# 10 ALA HA 11 THR H 3.212
&rst
ixpk= 0, nxpk= 0, iat= 121, 129, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 11 THR H 11 THR HB 4.345
&rst
ixpk= 0, nxpk= 0, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 10 ALA QB 11 THR H 4.312
&rst
ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 123, 124, 125,
&end
#
# 11 THR H 11 THR QG2 4.367
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 135, 136, 137,
&end
#
# 11 THR H 12 GLU H 4.862
&rst
ixpk= 0, nxpk= 0, iat= 129, 143, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 11 THR HA 12 GLU H 3.542
&rst
ixpk= 0, nxpk= 0, iat= 131, 143, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 11 THR QG2 12 GLU H 4.928
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 135, 136, 137,
&end
#
# 68 ILE H 70 MET H 5.049
&rst
ixpk= 0, nxpk= 0, iat=1026,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 12 GLU HA 13 GLU H 3.619
&rst
ixpk= 0, nxpk= 0, iat= 145, 158, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 12 GLU QG 13 GLU H 5.082
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 150, 151,
&end
#
# 13 GLU H 13 GLU QG 5.445
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 165, 166,
&end
#
# 13 GLU HA 14 SER H 3.245
&rst
ixpk= 0, nxpk= 0, iat= 160, 173, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 14 SER H 14 SER QB 3.839
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 177, 178,
&end
#
# 13 GLU QG 14 SER H 5.412
&rst
ixpk= 0, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 165, 166,
&end
#
# 13 GLU HB3 14 SER H 5.181
&rst
ixpk= 0, nxpk= 0, iat= 163, 173, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 14 SER H 15 THR QG2 5.907
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 190, 191, 192,
&end
#
# 14 SER HA 15 THR H 3.267
&rst
ixpk= 0, nxpk= 0, iat= 175, 184, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 15 THR H 15 THR HB 4.136
&rst
ixpk= 0, nxpk= 0, iat= 184, 188, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 14 SER QB 15 THR H 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 177, 178,
&end
#
# 15 THR H 15 THR QG2 4.224
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 190, 191, 192,
&end
#
# 16 GLU H 18 LEU H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 198, 227, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 15 THR HA 16 GLU H 3.047
&rst
ixpk= 0, nxpk= 0, iat= 186, 198, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 15 THR HB 16 GLU H 4.543
&rst
ixpk= 0, nxpk= 0, iat= 188, 198, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 15 THR QG2 16 GLU H 4.598
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 190, 191, 192,
&end
#
# 17 PRO QD 18 LEU H 4.147
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 214, 215,
&end
#
# 17 PRO HB3 18 LEU H 4.807
&rst
ixpk= 0, nxpk= 0, iat= 221, 227, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 17 PRO HG3 18 LEU H 4.631
&rst
ixpk= 0, nxpk= 0, iat= 218, 227, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 17 PRO HB2 18 LEU H 4.345
&rst
ixpk= 0, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 18 LEU H 18 LEU HB2 3.718
&rst
ixpk= 0, nxpk= 0, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 18 LEU H 18 LEU HG 3.894
&rst
ixpk= 0, nxpk= 0, iat= 227, 234, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 18 LEU H 18 LEU QD1 4.807
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 236, 237, 238,
&end
#
# 18 LEU H 19 SER H 5.104
&rst
ixpk= 0, nxpk= 0, iat= 227, 246, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 18 LEU HA 19 SER H 3.388
&rst
ixpk= 0, nxpk= 0, iat= 229, 246, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 SER H 22 ASP HA 5.511
&rst
ixpk= 0, nxpk= 0, iat= 246, 286, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 19 SER H 19 SER HB2 4.411
&rst
ixpk= 0, nxpk= 0, iat= 246, 250, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 19 SER H 19 SER HB3 4.411
&rst
ixpk= 0, nxpk= 0, iat= 246, 251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 19 SER H 22 ASP HB2 4.323
&rst
ixpk= 0, nxpk= 0, iat= 246, 288, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 19 SER H 22 ASP HB3 4.323
&rst
ixpk= 0, nxpk= 0, iat= 246, 289, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 18 LEU HB2 19 SER H 4.884
&rst
ixpk= 0, nxpk= 0, iat= 231, 246, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 18 LEU HG 19 SER H 5.203
&rst
ixpk= 0, nxpk= 0, iat= 234, 246, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 18 LEU HB3 19 SER H 4.334
&rst
ixpk= 0, nxpk= 0, iat= 232, 246, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 18 LEU QD1 19 SER H 4.917
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 236, 237, 238,
&end
#
# 20 GLU H 22 ASP H 5.148
&rst
ixpk= 0, nxpk= 0, iat= 257, 284, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 19 SER HA 20 GLU H 3.355
&rst
ixpk= 0, nxpk= 0, iat= 248, 257, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 19 SER HB2 20 GLU H 4.059
&rst
ixpk= 0, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 SER HB3 20 GLU H 4.059
&rst
ixpk= 0, nxpk= 0, iat= 251, 257, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 20 GLU H 20 GLU QG 4.466
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 264, 265,
&end
#
# 20 GLU H 20 GLU HB3 4.136
&rst
ixpk= 0, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 SER H 21 ASP H 5.478
&rst
ixpk= 0, nxpk= 0, iat= 246, 272, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 20 GLU H 21 ASP H 3.883
&rst
ixpk= 0, nxpk= 0, iat= 257, 272, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 21 ASP H 22 ASP H 3.498
&rst
ixpk= 0, nxpk= 0, iat= 272, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ASP H 23 PHE H 5.016
&rst
ixpk= 0, nxpk= 0, iat= 272, 296, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 21 ASP H 21 ASP HB2 3.949
&rst
ixpk= 0, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 21 ASP H 21 ASP HB3 3.949
&rst
ixpk= 0, nxpk= 0, iat= 272, 277, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 20 GLU HB3 21 ASP H 4.301
&rst
ixpk= 0, nxpk= 0, iat= 262, 272, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 19 SER H 22 ASP H 4.312
&rst
ixpk= 0, nxpk= 0, iat= 246, 284, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 47 SER H 48 ASP H 3.729
&rst
ixpk= 0, nxpk= 0, iat= 704, 715, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 22 ASP H 23 PHE H 3.498
&rst
ixpk= 0, nxpk= 0, iat= 284, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ASP H 23 PHE QR 5.896
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 306, 310, 304, 312,
&end
#
# 45 VAL HA 48 ASP H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 671, 715, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 48 ASP H 48 ASP HB3 3.641
&rst
ixpk= 0, nxpk= 0, iat= 715, 720, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 48 ASP H 48 ASP HB2 3.982
&rst
ixpk= 0, nxpk= 0, iat= 715, 719, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 ASP HB2 22 ASP H 4.334
&rst
ixpk= 0, nxpk= 0, iat= 276, 284, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 ASP H 22 ASP HB2 4.598
&rst
ixpk= 0, nxpk= 0, iat= 284, 288, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 21 ASP HB3 22 ASP H 4.334
&rst
ixpk= 0, nxpk= 0, iat= 277, 284, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 ASP H 22 ASP HB3 4.598
&rst
ixpk= 0, nxpk= 0, iat= 284, 289, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 ASP H 49 PHE HB2 5.731
&rst
ixpk= 0, nxpk= 0, iat= 715, 731, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 48 ASP H 50 ALA QB 5.269
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 751, 752, 753,
&end
#
# 19 SER H 23 PHE H 5.247
&rst
ixpk= 0, nxpk= 0, iat= 246, 296, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 23 PHE H 23 PHE QR 4.301
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 306, 310, 304, 312,
&end
#
# 23 PHE H 23 PHE QB 3.608
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 300, 301,
&end
#
# 22 ASP HB2 23 PHE H 4.279
&rst
ixpk= 0, nxpk= 0, iat= 288, 296, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 23 PHE H 24 ASP H 3.817
&rst
ixpk= 0, nxpk= 0, iat= 296, 316, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 23 PHE QR 24 ASP H 5.005
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 306, 310, 304, 312,
&end
#
# 21 ASP HA 24 ASP H 4.147
&rst
ixpk= 0, nxpk= 0, iat= 274, 316, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 GLU HA 24 ASP H 5.379
&rst
ixpk= 0, nxpk= 0, iat= 259, 316, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 23 PHE QB 24 ASP H 3.905
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 300, 301,
&end
#
# 24 ASP H 24 ASP HB2 3.762
&rst
ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 20 GLU QG 24 ASP H 5.412
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 264, 265,
&end
#
# 24 ASP H 25 MET HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 316, 333, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 24 ASP H 25 MET HB2 5.94
&rst
ixpk= 0, nxpk= 0, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 24 ASP H 25 MET H 3.861
&rst
ixpk= 0, nxpk= 0, iat= 316, 328, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 PHE H 25 MET H 5.115
&rst
ixpk= 0, nxpk= 0, iat= 296, 328, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 25 MET H 26 PHE HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 328, 347, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 25 MET H 25 MET HB3 3.751
&rst
ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 25 MET H 25 MET HB2 3.509
&rst
ixpk= 0, nxpk= 0, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 27 TYR H 28 GLU H 3.784
&rst
ixpk= 0, nxpk= 0, iat= 365, 386, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 MET H 27 TYR H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 328, 365, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 27 TYR H 27 TYR QD 4.279
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 373, 382,
&end
#
# 26 PHE QD 27 TYR H 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 353, 361,
&end
#
# 23 PHE HA 27 TYR H 5.071
&rst
ixpk= 0, nxpk= 0, iat= 298, 365, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 27 TYR H 27 TYR HB2 3.784
&rst
ixpk= 0, nxpk= 0, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 26 PHE HB3 27 TYR H 4.268
&rst
ixpk= 0, nxpk= 0, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 27 TYR H 28 GLU QB 5.005
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 390, 391,
&end
#
# 27 TYR H 53 LEU QD2 6.006
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 792, 793, 794,
&end
#
# 26 PHE H 28 GLU H 5.049
&rst
ixpk= 0, nxpk= 0, iat= 345, 386, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 25 MET H 28 GLU H 5.192
&rst
ixpk= 0, nxpk= 0, iat= 328, 386, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 27 TYR QD 28 GLU H 5.126
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 373, 382,
&end
#
# 25 MET HA 28 GLU H 4.4
&rst
ixpk= 0, nxpk= 0, iat= 330, 386, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 27 TYR HB3 28 GLU H 4.279
&rst
ixpk= 0, nxpk= 0, iat= 370, 386, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 27 TYR HB2 28 GLU H 4.257
&rst
ixpk= 0, nxpk= 0, iat= 369, 386, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 28 GLU H 28 GLU QB 3.212
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 390, 391,
&end
#
# 28 GLU H 29 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 414, 415, 416,
&end
#
# 28 GLU QB 29 ILE H 3.894
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 390, 391,
&end
#
# 29 ILE H 29 ILE HB 3.883
&rst
ixpk= 0, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 29 ILE H 29 ILE HG12 3.916
&rst
ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 ILE H 29 ILE HG13 4.257
&rst
ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 29 ILE H 29 ILE QG2 4.444
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 407, 408, 409,
&end
#
# 29 ILE H 29 ILE QD1 4.246
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 414, 415, 416,
&end
#
# 29 ILE H 30 TRP H 3.685
&rst
ixpk= 0, nxpk= 0, iat= 401, 420, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 30 TRP H 31 GLU H 3.894
&rst
ixpk= 0, nxpk= 0, iat= 420, 444, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 30 TRP H 32 LYS H 4.983
&rst
ixpk= 0, nxpk= 0, iat= 420, 459, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 30 TRP H 33 PHE QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 491, 495,
&end
#
# 30 TRP H 30 TRP HD1 5.654
&rst
ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 27 TYR HA 30 TRP H 4.323
&rst
ixpk= 0, nxpk= 0, iat= 367, 420, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 26 PHE HA 30 TRP H 5.016
&rst
ixpk= 0, nxpk= 0, iat= 347, 420, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 30 TRP H 30 TRP HB2 3.773
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 30 TRP H 30 TRP HB3 3.773
&rst
ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 28 GLU QB 30 TRP H 4.994
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 390, 391,
&end
#
# 29 ILE HB 30 TRP H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 29 ILE HG12 30 TRP H 4.829
&rst
ixpk= 0, nxpk= 0, iat= 411, 420, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 29 ILE HG13 30 TRP H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 412, 420, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 29 ILE QG2 30 TRP H 4.521
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 407, 408, 409,
&end
#
# 29 ILE H 31 GLU H 5.071
&rst
ixpk= 0, nxpk= 0, iat= 401, 444, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 31 GLU H 32 LYS H 3.641
&rst
ixpk= 0, nxpk= 0, iat= 444, 459, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 30 TRP HD1 31 GLU H 4.543
&rst
ixpk= 0, nxpk= 0, iat= 428, 444, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 27 TYR HA 31 GLU H 4.785
&rst
ixpk= 0, nxpk= 0, iat= 367, 444, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 28 GLU HA 31 GLU H 4.576
&rst
ixpk= 0, nxpk= 0, iat= 388, 444, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 30 TRP HB2 31 GLU H 4.455
&rst
ixpk= 0, nxpk= 0, iat= 424, 444, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 30 TRP HB3 31 GLU H 4.455
&rst
ixpk= 0, nxpk= 0, iat= 425, 444, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 31 GLU H 31 GLU HG2 4.664
&rst
ixpk= 0, nxpk= 0, iat= 444, 451, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 31 GLU H 31 GLU HG3 4.664
&rst
ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 31 GLU H 31 GLU HB2 4.081
&rst
ixpk= 0, nxpk= 0, iat= 444, 448, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 31 GLU H 32 LYS HG2 5.599
&rst
ixpk= 0, nxpk= 0, iat= 444, 466, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 31 GLU H 32 LYS HG3 5.599
&rst
ixpk= 0, nxpk= 0, iat= 444, 467, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 32 LYS H 32 LYS HA 3.234
&rst
ixpk= 0, nxpk= 0, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 30 TRP HA 32 LYS H 4.983
&rst
ixpk= 0, nxpk= 0, iat= 422, 459, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 30 TRP HA 33 PHE H 5.203
&rst
ixpk= 0, nxpk= 0, iat= 422, 481, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 33 PHE H 33 PHE HB2 3.773
&rst
ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 32 LYS H 32 LYS HB2 4.356
&rst
ixpk= 0, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 32 LYS HB2 33 PHE H 4.631
&rst
ixpk= 0, nxpk= 0, iat= 463, 481, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 LYS H 32 LYS HB3 4.356
&rst
ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 32 LYS HB3 33 PHE H 4.631
&rst
ixpk= 0, nxpk= 0, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 LYS H 32 LYS HG2 4.037
&rst
ixpk= 0, nxpk= 0, iat= 459, 466, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 32 LYS H 32 LYS HG3 4.037
&rst
ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 29 ILE QG2 32 LYS H 4.972
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 407, 408, 409,
&end
#
# 29 ILE QG2 33 PHE H 5.478
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 407, 408, 409,
&end
#
# 29 ILE QD1 32 LYS H 5.852
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 414, 415, 416,
&end
#
# 33 PHE H 49 PHE QD 5.291
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 735, 743,
&end
#
# 33 PHE H 34 ASP HA 5.698
&rst
ixpk= 0, nxpk= 0, iat= 481, 503, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 33 PHE H 33 PHE HB3 4.246
&rst
ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 33 PHE H 41 ILE QG2 5.478
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 609, 610, 611,
&end
#
# 33 PHE H 34 ASP H 3.278
&rst
ixpk= 0, nxpk= 0, iat= 481, 501, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 34 ASP H 35 PRO HD2 4.587
&rst
ixpk= 0, nxpk= 0, iat= 501, 514, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 34 ASP H 35 PRO HD3 4.389
&rst
ixpk= 0, nxpk= 0, iat= 501, 515, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 34 ASP H 34 ASP HB2 4.059
&rst
ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 ASP H 34 ASP HB3 4.059
&rst
ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 ASP H 41 ILE QG2 5.412
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 609, 610, 611,
&end
#
# 34 ASP HA 36 GLU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 503, 527, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 35 PRO HD2 36 GLU H 4.312
&rst
ixpk= 0, nxpk= 0, iat= 514, 527, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 35 PRO HD3 36 GLU H 4.631
&rst
ixpk= 0, nxpk= 0, iat= 515, 527, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 35 PRO HB2 36 GLU H 4.609
&rst
ixpk= 0, nxpk= 0, iat= 520, 527, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 35 PRO QG 36 GLU H 3.322
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 517, 518,
&end
#
# 37 ALA H 39 GLN H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 542, 566, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 37 ALA H 38 THR H 3.861
&rst
ixpk= 0, nxpk= 0, iat= 542, 552, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 36 GLU H 37 ALA H 3.3
&rst
ixpk= 0, nxpk= 0, iat= 527, 542, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 ASP H 37 ALA H 5.995
&rst
ixpk= 0, nxpk= 0, iat= 501, 542, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 34 ASP HA 37 ALA H 5.511
&rst
ixpk= 0, nxpk= 0, iat= 503, 542, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 37 ALA H 37 ALA HA 3.091
&rst
ixpk= 0, nxpk= 0, iat= 542, 544, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 35 PRO HD2 37 ALA H 5.181
&rst
ixpk= 0, nxpk= 0, iat= 514, 542, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 36 GLU HB3 37 ALA H 4.576
&rst
ixpk= 0, nxpk= 0, iat= 532, 542, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 38 THR H 39 GLN H 3.685
&rst
ixpk= 0, nxpk= 0, iat= 552, 566, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 36 GLU H 38 THR H 4.939
&rst
ixpk= 0, nxpk= 0, iat= 527, 552, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 37 ALA HA 38 THR H 3.916
&rst
ixpk= 0, nxpk= 0, iat= 544, 552, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 38 THR H 39 GLN HA 5.137
&rst
ixpk= 0, nxpk= 0, iat= 552, 568, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 36 GLU HB2 38 THR H 5.104
&rst
ixpk= 0, nxpk= 0, iat= 531, 552, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 36 GLU HB3 38 THR H 5.291
&rst
ixpk= 0, nxpk= 0, iat= 532, 552, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 38 THR H 38 THR QG2 3.509
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 558, 559, 560,
&end
#
# 37 ALA HA 39 GLN H 4.334
&rst
ixpk= 0, nxpk= 0, iat= 544, 566, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 39 GLN H 40 PHE HB2 5.555
&rst
ixpk= 0, nxpk= 0, iat= 566, 587, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 34 ASP HB3 39 GLN H 5.522
&rst
ixpk= 0, nxpk= 0, iat= 506, 566, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 39 GLN H 40 PHE H 3.773
&rst
ixpk= 0, nxpk= 0, iat= 566, 583, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 38 THR H 40 PHE H 4.873
&rst
ixpk= 0, nxpk= 0, iat= 552, 583, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 38 THR HB 40 PHE H 5.533
&rst
ixpk= 0, nxpk= 0, iat= 556, 583, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 38 THR HA 40 PHE H 5.555
&rst
ixpk= 0, nxpk= 0, iat= 554, 583, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 40 PHE H 40 PHE HB2 3.905
&rst
ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 36 GLU HB2 40 PHE H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 531, 583, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 41 ILE H 42 GLU H 5.104
&rst
ixpk= 0, nxpk= 0, iat= 603, 622, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 41 ILE H 82 CYS H 5.962
&rst
ixpk= 0, nxpk= 0, iat= 603,1244, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 40 PHE QD 41 ILE H 4.554
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 591, 599,
&end
#
# 30 TRP HH2 41 ILE H 4.345
&rst
ixpk= 0, nxpk= 0, iat= 435, 603, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 40 PHE HA 41 ILE H 3.586
&rst
ixpk= 0, nxpk= 0, iat= 585, 603, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 40 PHE HB3 41 ILE H 4.169
&rst
ixpk= 0, nxpk= 0, iat= 588, 603, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 41 ILE H 80 ILE HB 4.785
&rst
ixpk= 0, nxpk= 0, iat= 603,1212, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 41 ILE H 41 ILE HB 4.488
&rst
ixpk= 0, nxpk= 0, iat= 603, 607, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 41 ILE H 41 ILE HG13 4.422
&rst
ixpk= 0, nxpk= 0, iat= 603, 614, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 41 ILE H 41 ILE HG12 4.389
&rst
ixpk= 0, nxpk= 0, iat= 603, 613, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 41 ILE H 85 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1297,1298,1299,
&end
#
# 41 ILE H 41 ILE QG2 3.938
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 609, 610, 611,
&end
#
# 41 ILE H 41 ILE QD1 4.741
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 616, 617, 618,
&end
#
# 41 ILE HA 42 GLU H 3.344
&rst
ixpk= 0, nxpk= 0, iat= 605, 622, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 42 GLU H 42 GLU HB2 4.4
&rst
ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 42 GLU H 42 GLU HG3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 622, 630, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 42 GLU H 42 GLU HB3 4.4
&rst
ixpk= 0, nxpk= 0, iat= 622, 627, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 67 LEU HB2 68 ILE H 4.499
&rst
ixpk= 0, nxpk= 0, iat=1011,1026, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 ILE H 68 ILE HB 4.4
&rst
ixpk= 0, nxpk= 0, iat=1026,1030, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 41 ILE HB 42 GLU H 3.718
&rst
ixpk= 0, nxpk= 0, iat= 607, 622, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 41 ILE HG13 42 GLU H 3.663
&rst
ixpk= 0, nxpk= 0, iat= 614, 622, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 41 ILE QG2 42 GLU H 4.081
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 609, 610, 611,
&end
#
# 41 ILE QD1 42 GLU H 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 616, 617, 618,
&end
#
# 43 TYR H 45 VAL H 5.247
&rst
ixpk= 0, nxpk= 0, iat= 637, 669, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 43 TYR H 43 TYR QD 4.422
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 645, 654,
&end
#
# 43 TYR H 79 ARG HA 4.246
&rst
ixpk= 0, nxpk= 0, iat= 637,1186, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 42 GLU HA 43 TYR H 3.476
&rst
ixpk= 0, nxpk= 0, iat= 624, 637, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 43 TYR H 43 TYR HB2 3.652
&rst
ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 43 TYR H 43 TYR HB3 3.652
&rst
ixpk= 0, nxpk= 0, iat= 637, 642, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 42 GLU HB2 43 TYR H 4.543
&rst
ixpk= 0, nxpk= 0, iat= 626, 637, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 42 GLU HB3 43 TYR H 4.543
&rst
ixpk= 0, nxpk= 0, iat= 627, 637, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 43 TYR H 46 LEU HB2 5.962
&rst
ixpk= 0, nxpk= 0, iat= 637, 689, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 43 TYR H 74 MET QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1132,1133,1134,
&end
#
# 43 TYR H 79 ARG QB 6.05
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1188,1189,
&end
#
# 43 TYR H 45 VAL QG2 5.258
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 679, 680, 681,
&end
#
# 43 TYR H 80 ILE QD1 4.235
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1221,1222,1223,
&end
#
# 43 TYR H 44 SER H 3.861
&rst
ixpk= 0, nxpk= 0, iat= 637, 658, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 42 GLU H 44 SER H 5.346
&rst
ixpk= 0, nxpk= 0, iat= 622, 658, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 44 SER H 46 LEU H 4.565
&rst
ixpk= 0, nxpk= 0, iat= 658, 685, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 44 SER H 45 VAL H 3.696
&rst
ixpk= 0, nxpk= 0, iat= 658, 669, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 43 TYR QD 44 SER H 5.236
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 645, 654,
&end
#
# 44 SER H 44 SER QB 3.201
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 662, 663,
&end
#
# 43 TYR HB2 44 SER H 4.444
&rst
ixpk= 0, nxpk= 0, iat= 641, 658, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 43 TYR HB3 44 SER H 4.444
&rst
ixpk= 0, nxpk= 0, iat= 642, 658, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 42 GLU HB2 44 SER H 4.158
&rst
ixpk= 0, nxpk= 0, iat= 626, 658, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 42 GLU HB3 44 SER H 4.158
&rst
ixpk= 0, nxpk= 0, iat= 627, 658, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 44 SER H 46 LEU HB2 5.236
&rst
ixpk= 0, nxpk= 0, iat= 658, 689, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 44 SER H 45 VAL QG1 4.928
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 675, 676, 677,
&end
#
# 44 SER H 45 VAL QG2 5.126
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 679, 680, 681,
&end
#
# 44 SER H 80 ILE QD1 5.654
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1221,1222,1223,
&end
#
# 42 GLU H 45 VAL H 4.972
&rst
ixpk= 0, nxpk= 0, iat= 622, 669, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 44 SER QB 45 VAL H 4.334
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 662, 663,
&end
#
# 45 VAL H 45 VAL HB 4.158
&rst
ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 42 GLU HB2 45 VAL H 4.686
&rst
ixpk= 0, nxpk= 0, iat= 626, 669, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 42 GLU HB3 45 VAL H 4.686
&rst
ixpk= 0, nxpk= 0, iat= 627, 669, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 45 VAL H 46 LEU HB2 4.752
&rst
ixpk= 0, nxpk= 0, iat= 669, 689, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 45 VAL H 46 LEU HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 669, 690, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 41 ILE QD1 45 VAL H 5.511
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 616, 617, 618,
&end
#
# 45 VAL H 46 LEU H 3.201
&rst
ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 43 TYR QD 46 LEU H 5.995
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 645, 654,
&end
#
# 45 VAL HB 46 LEU H 4.719
&rst
ixpk= 0, nxpk= 0, iat= 673, 685, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 46 LEU H 46 LEU HB2 3.421
&rst
ixpk= 0, nxpk= 0, iat= 685, 689, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 46 LEU H 46 LEU HB3 3.564
&rst
ixpk= 0, nxpk= 0, iat= 685, 690, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 45 VAL QG2 46 LEU H 3.894
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 679, 680, 681,
&end
#
# 46 LEU H 46 LEU QD1 4.829
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 694, 695, 696,
&end
#
# 46 LEU H 46 LEU QD2 4.829
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 698, 699, 700,
&end
#
# 41 ILE QD1 46 LEU H 4.631
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 616, 617, 618,
&end
#
# 47 SER H 49 PHE H 5.049
&rst
ixpk= 0, nxpk= 0, iat= 704, 727, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 46 LEU H 47 SER H 3.762
&rst
ixpk= 0, nxpk= 0, iat= 685, 704, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 45 VAL H 47 SER H 4.972
&rst
ixpk= 0, nxpk= 0, iat= 669, 704, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 45 VAL HA 47 SER H 4.818
&rst
ixpk= 0, nxpk= 0, iat= 671, 704, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 47 SER H 47 SER QB 3.256
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 708, 709,
&end
#
# 47 SER H 48 ASP HB3 5.984
&rst
ixpk= 0, nxpk= 0, iat= 704, 720, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 46 LEU HB2 47 SER H 4.389
&rst
ixpk= 0, nxpk= 0, iat= 689, 704, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 47 SER H 50 ALA QB 5.423
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 751, 752, 753,
&end
#
# 46 LEU QD1 47 SER H 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 694, 695, 696,
&end
#
# 46 LEU QD2 47 SER H 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 698, 699, 700,
&end
#
# 49 PHE H 50 ALA H 3.806
&rst
ixpk= 0, nxpk= 0, iat= 727, 747, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 48 ASP H 49 PHE H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 715, 727, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 PHE QD 49 PHE H 5.126
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 489, 497,
&end
#
# 33 PHE QE 49 PHE H 4.763
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 491, 495,
&end
#
# 33 PHE HZ 49 PHE H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 493, 727, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 45 VAL HA 49 PHE H 5.489
&rst
ixpk= 0, nxpk= 0, iat= 671, 727, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 46 LEU HA 49 PHE H 4.147
&rst
ixpk= 0, nxpk= 0, iat= 687, 727, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 49 PHE H 50 ALA HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 727, 749, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 48 ASP HB3 49 PHE H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 720, 727, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 48 ASP HB2 49 PHE H 4.224
&rst
ixpk= 0, nxpk= 0, iat= 719, 727, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 49 PHE H 49 PHE HB3 3.619
&rst
ixpk= 0, nxpk= 0, iat= 727, 732, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 49 PHE H 49 PHE HB2 3.674
&rst
ixpk= 0, nxpk= 0, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 49 PHE H 50 ALA QB 5.027
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 751, 752, 753,
&end
#
# 49 PHE H 52 ALA QB 5.357
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 773, 774, 775,
&end
#
# 45 VAL QG2 49 PHE H 4.873
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 679, 680, 681,
&end
#
# 48 ASP H 50 ALA H 4.752
&rst
ixpk= 0, nxpk= 0, iat= 715, 747, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 50 ALA H 63 ASN HD22 5.841
&rst
ixpk= 0, nxpk= 0, iat= 747, 956, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 50 ALA H 51 ASP H 3.784
&rst
ixpk= 0, nxpk= 0, iat= 747, 757, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 48 ASP HA 50 ALA H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 717, 747, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 46 LEU HA 50 ALA H 4.422
&rst
ixpk= 0, nxpk= 0, iat= 687, 747, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 49 PHE HB3 50 ALA H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 46 LEU HG 50 ALA H 5.148
&rst
ixpk= 0, nxpk= 0, iat= 692, 747, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 49 PHE HB2 50 ALA H 5.368
&rst
ixpk= 0, nxpk= 0, iat= 731, 747, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 50 ALA H 50 ALA QB 3.267
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 751, 752, 753,
&end
#
# 46 LEU HB3 50 ALA H 5.478
&rst
ixpk= 0, nxpk= 0, iat= 690, 747, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 50 ALA H 67 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1016,1017,1018,
&end
#
# 50 ALA H 67 LEU QD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1020,1021,1022,
&end
#
# 41 ILE QD1 50 ALA H 5.808
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 616, 617, 618,
&end
#
# 51 ASP H 63 ASN HD21 4.994
&rst
ixpk= 0, nxpk= 0, iat= 757, 955, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 51 ASP H 63 ASN HD22 4.873
&rst
ixpk= 0, nxpk= 0, iat= 757, 956, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 51 ASP H 53 LEU H 4.774
&rst
ixpk= 0, nxpk= 0, iat= 757, 779, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 49 PHE HA 51 ASP H 5.544
&rst
ixpk= 0, nxpk= 0, iat= 729, 757, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 51 ASP H 61 LYS QE 5.412
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 923, 924,
&end
#
# 51 ASP H 51 ASP HB2 3.608
&rst
ixpk= 0, nxpk= 0, iat= 757, 761, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 49 PHE HB2 51 ASP H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 731, 757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 50 ALA H 52 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 747, 769, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 51 ASP H 52 ALA H 3.465
&rst
ixpk= 0, nxpk= 0, iat= 757, 769, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 52 ALA H 53 LEU H 3.432
&rst
ixpk= 0, nxpk= 0, iat= 769, 779, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 52 ALA H 53 LEU HA 5.544
&rst
ixpk= 0, nxpk= 0, iat= 769, 781, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 50 ALA HA 52 ALA H 4.752
&rst
ixpk= 0, nxpk= 0, iat= 749, 769, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 49 PHE HA 52 ALA H 4.466
&rst
ixpk= 0, nxpk= 0, iat= 729, 769, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 52 ALA H 52 ALA QB 3.036
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 773, 774, 775,
&end
#
# 52 ALA H 53 LEU HG 4.224
&rst
ixpk= 0, nxpk= 0, iat= 769, 786, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 52 ALA H 53 LEU QD2 5.687
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 792, 793, 794,
&end
#
# 49 PHE HA 53 LEU H 5.984
&rst
ixpk= 0, nxpk= 0, iat= 729, 779, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 53 LEU H 58 ARG HD2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 779, 867, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 52 ALA QB 53 LEU H 3.795
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 773, 774, 775,
&end
#
# 53 LEU H 53 LEU QB 3.388
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 783, 784,
&end
#
# 53 LEU H 53 LEU HG 3.674
&rst
ixpk= 0, nxpk= 0, iat= 779, 786, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 53 LEU H 53 LEU QD1 3.806
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 788, 789, 790,
&end
#
# 53 LEU H 53 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 792, 793, 794,
&end
#
# 54 SER H 58 ARG H 5.269
&rst
ixpk= 0, nxpk= 0, iat= 798, 857, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 53 LEU H 54 SER H 4.939
&rst
ixpk= 0, nxpk= 0, iat= 779, 798, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 53 LEU HA 54 SER H 3.564
&rst
ixpk= 0, nxpk= 0, iat= 781, 798, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 54 SER H 54 SER HB2 3.784
&rst
ixpk= 0, nxpk= 0, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 54 SER H 54 SER HB3 3.784
&rst
ixpk= 0, nxpk= 0, iat= 798, 803, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 MET HG3 54 SER H 4.884
&rst
ixpk= 0, nxpk= 0, iat= 336, 798, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 25 MET HG2 54 SER H 4.994
&rst
ixpk= 0, nxpk= 0, iat= 335, 798, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 25 MET QE 54 SER H 3.839
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 339, 340, 341,
&end
#
# 53 LEU QB 54 SER H 3.641
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 783, 784,
&end
#
# 53 LEU QD1 54 SER H 4.774
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 788, 789, 790,
&end
#
# 53 LEU QD2 54 SER H 3.982
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 792, 793, 794,
&end
#
# 54 SER H 55 GLU H 4.906
&rst
ixpk= 0, nxpk= 0, iat= 798, 809, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 55 GLU H 58 ARG H 5.016
&rst
ixpk= 0, nxpk= 0, iat= 809, 857, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 55 GLU H 55 GLU QG 3.531
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 816, 817,
&end
#
# 25 MET QE 55 GLU H 5.885
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 339, 340, 341,
&end
#
# 55 GLU H 55 GLU HB3 4.015
&rst
ixpk= 0, nxpk= 0, iat= 809, 814, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 55 GLU HA 57 LEU H 4.125
&rst
ixpk= 0, nxpk= 0, iat= 811, 838, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 LEU H 58 ARG HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 838, 859, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 25 MET QE 57 LEU H 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 339, 340, 341,
&end
#
# 57 LEU H 57 LEU HG 3.619
&rst
ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 57 LEU H 93 VAL QG2 4.862
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1442,1443,1444,
&end
#
# 57 LEU H 58 ARG H 3.674
&rst
ixpk= 0, nxpk= 0, iat= 838, 857, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 56 PRO HA 58 ARG H 4.818
&rst
ixpk= 0, nxpk= 0, iat= 834, 857, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 55 GLU HA 58 ARG H 3.696
&rst
ixpk= 0, nxpk= 0, iat= 811, 857, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 GLU QG 58 ARG H 5.016
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 816, 817,
&end
#
# 25 MET QE 58 ARG H 4.983
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 339, 340, 341,
&end
#
# 57 LEU HB2 58 ARG H 4.543
&rst
ixpk= 0, nxpk= 0, iat= 842, 857, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 57 LEU HB3 58 ARG H 4.543
&rst
ixpk= 0, nxpk= 0, iat= 843, 857, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 58 ARG H 58 ARG HB3 4.246
&rst
ixpk= 0, nxpk= 0, iat= 857, 862, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 53 LEU QD1 58 ARG H 5.412
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 788, 789, 790,
&end
#
# 53 LEU QD2 58 ARG H 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 792, 793, 794,
&end
#
# 59 ILE H 60 ALA H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 881, 900, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 53 LEU H 59 ILE H 5.192
&rst
ixpk= 0, nxpk= 0, iat= 779, 881, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 58 ARG HA 59 ILE H 3.652
&rst
ixpk= 0, nxpk= 0, iat= 859, 881, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 58 ARG QG 59 ILE H 4.719
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 864, 865,
&end
#
# 59 ILE H 59 ILE HB 4.092
&rst
ixpk= 0, nxpk= 0, iat= 881, 885, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 59 ILE H 59 ILE HG13 4.862
&rst
ixpk= 0, nxpk= 0, iat= 881, 892, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 59 ILE H 59 ILE QD1 4.994
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 894, 895, 896,
&end
#
# 58 ARG HE 60 ALA H 4.642
&rst
ixpk= 0, nxpk= 0, iat= 870, 900, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 59 ILE HA 60 ALA H 3.168
&rst
ixpk= 0, nxpk= 0, iat= 883, 900, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 58 ARG HA 60 ALA H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 859, 900, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 60 ALA H 63 ASN HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 900, 951, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 58 ARG QG 60 ALA H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 864, 865,
&end
#
# 60 ALA H 60 ALA QB 3.124
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 904, 905, 906,
&end
#
# 59 ILE QG2 60 ALA H 3.861
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 887, 888, 889,
&end
#
# 59 ILE HG13 60 ALA H 5.148
&rst
ixpk= 0, nxpk= 0, iat= 892, 900, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 59 ILE QD1 60 ALA H 5.621
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 894, 895, 896,
&end
#
# 61 LYS H 63 ASN HD21 5.544
&rst
ixpk= 0, nxpk= 0, iat= 910, 955, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 58 ARG HE 61 LYS H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 870, 910, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 60 ALA HA 61 LYS H 3.454
&rst
ixpk= 0, nxpk= 0, iat= 902, 910, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 61 LYS H 61 LYS QE 5.049
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 923, 924,
&end
#
# 61 LYS H 63 ASN HB3 6.039
&rst
ixpk= 0, nxpk= 0, iat= 910, 951, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 61 LYS H 61 LYS HB2 4.257
&rst
ixpk= 0, nxpk= 0, iat= 910, 914, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 61 LYS H 61 LYS HB3 3.971
&rst
ixpk= 0, nxpk= 0, iat= 910, 915, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 61 LYS H 61 LYS QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 917, 918,
&end
#
# 60 ALA QB 61 LYS H 3.608
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 904, 905, 906,
&end
#
# 64 GLN H 64 GLN QG 3.938
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 967, 968,
&end
#
# 59 ILE QG2 64 GLN H 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 887, 888, 889,
&end
#
# 65 ILE H 66 SER H 3.971
&rst
ixpk= 0, nxpk= 0, iat= 977, 996, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 64 GLN HB2 65 ILE H 4.642
&rst
ixpk= 0, nxpk= 0, iat= 964, 977, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 64 GLN HB3 65 ILE H 4.642
&rst
ixpk= 0, nxpk= 0, iat= 965, 977, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 65 ILE H 65 ILE HB 3.465
&rst
ixpk= 0, nxpk= 0, iat= 977, 981, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 65 ILE H 65 ILE HG12 4.444
&rst
ixpk= 0, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 65 ILE H 65 ILE QG2 4.686
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 983, 984, 985,
&end
#
# 65 ILE H 65 ILE QD1 4.906
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 990, 991, 992,
&end
#
# 59 ILE QG2 65 ILE H 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 887, 888, 889,
&end
#
# 63 ASN HA 66 SER H 5.511
&rst
ixpk= 0, nxpk= 0, iat= 948, 996, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 66 SER H 66 SER HB2 4.433
&rst
ixpk= 0, nxpk= 0, iat= 996,1000, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 65 ILE QG2 66 SER H 4.675
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 983, 984, 985,
&end
#
# 59 ILE QG2 66 SER H 5.302
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 887, 888, 889,
&end
#
# 67 LEU H 68 ILE H 3.916
&rst
ixpk= 0, nxpk= 0, iat=1007,1026, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 66 SER HB2 67 LEU H 4.664
&rst
ixpk= 0, nxpk= 0, iat=1000,1007, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 67 LEU H 67 LEU HB2 3.773
&rst
ixpk= 0, nxpk= 0, iat=1007,1011, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 67 LEU H 67 LEU HB3 4.081
&rst
ixpk= 0, nxpk= 0, iat=1007,1012, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 67 LEU H 67 LEU QD1 4.422
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1016,1017,1018,
&end
#
# 68 ILE H 69 ASN H 3.773
&rst
ixpk= 0, nxpk= 0, iat=1026,1045, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 69 ASN H 69 ASN HD21 4.884
&rst
ixpk= 0, nxpk= 0, iat=1045,1054, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 66 SER HA 69 ASN H 4.389
&rst
ixpk= 0, nxpk= 0, iat= 998,1045, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 65 ILE HA 69 ASN H 4.796
&rst
ixpk= 0, nxpk= 0, iat= 979,1045, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 69 ASN H 69 ASN HB2 3.432
&rst
ixpk= 0, nxpk= 0, iat=1045,1049, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 69 ASN H 70 MET HG2 5.852
&rst
ixpk= 0, nxpk= 0, iat=1045,1066, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 68 ILE HB 69 ASN H 3.707
&rst
ixpk= 0, nxpk= 0, iat=1030,1045, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 68 ILE QG2 69 ASN H 3.938
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1032,1033,1034,
&end
#
# 65 ILE QG2 69 ASN H 4.235
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 983, 984, 985,
&end
#
# 69 ASN H 70 MET H 3.597
&rst
ixpk= 0, nxpk= 0, iat=1045,1059, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 68 ILE HA 70 MET H 4.543
&rst
ixpk= 0, nxpk= 0, iat=1028,1059, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 70 MET H 70 MET HG3 3.586
&rst
ixpk= 0, nxpk= 0, iat=1059,1067, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 69 ASN HB3 70 MET H 4.499
&rst
ixpk= 0, nxpk= 0, iat=1050,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 ASN HB2 70 MET H 4.367
&rst
ixpk= 0, nxpk= 0, iat=1049,1059, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 70 MET H 70 MET HG2 3.916
&rst
ixpk= 0, nxpk= 0, iat=1059,1066, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 70 MET H 70 MET HB3 4.268
&rst
ixpk= 0, nxpk= 0, iat=1059,1064, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 70 MET H 70 MET HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1059,1063, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 70 MET H 70 MET QE 4.873
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1070,1071,1072,
&end
#
# 71 ASP H 71 ASP HB2 4.147
&rst
ixpk= 0, nxpk= 0, iat=1076,1080, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 71 ASP H 71 ASP HB3 4.147
&rst
ixpk= 0, nxpk= 0, iat=1076,1081, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 71 ASP H 72 LEU H 4.4
&rst
ixpk= 0, nxpk= 0, iat=1076,1088, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 71 ASP HA 72 LEU H 3.707
&rst
ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 72 LEU H 73 PRO HD3 5.731
&rst
ixpk= 0, nxpk= 0, iat=1088,1109, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 71 ASP HB3 72 LEU H 5.401
&rst
ixpk= 0, nxpk= 0, iat=1081,1088, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 72 LEU H 72 LEU HG 3.938
&rst
ixpk= 0, nxpk= 0, iat=1088,1095, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 LEU H 72 LEU HB3 4.345
&rst
ixpk= 0, nxpk= 0, iat=1088,1093, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 73 PRO HA 74 MET H 2.981
&rst
ixpk= 0, nxpk= 0, iat=1117,1121, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 73 PRO HD3 74 MET H 6.05
&rst
ixpk= 0, nxpk= 0, iat=1109,1121, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 74 MET H 74 MET QB 3.278
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1125,1126,
&end
#
# 74 MET H 80 ILE HG13 6.05
&rst
ixpk= 0, nxpk= 0, iat=1121,1219, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 74 MET H 75 VAL QG1 5.775
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1144,1145,1146,
&end
#
# 74 MET H 75 VAL H 4.862
&rst
ixpk= 0, nxpk= 0, iat=1121,1138, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 75 VAL H 79 ARG H 4.246
&rst
ixpk= 0, nxpk= 0, iat=1138,1184, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 74 MET HA 75 VAL H 3.267
&rst
ixpk= 0, nxpk= 0, iat=1123,1138, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 75 VAL H 80 ILE HA 4.829
&rst
ixpk= 0, nxpk= 0, iat=1138,1210, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 75 VAL H 75 VAL HB 4.356
&rst
ixpk= 0, nxpk= 0, iat=1138,1142, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 74 MET QB 75 VAL H 3.751
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1125,1126,
&end
#
# 75 VAL H 80 ILE HG13 5.412
&rst
ixpk= 0, nxpk= 0, iat=1138,1219, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 75 VAL H 79 ARG QB 5.115
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1188,1189,
&end
#
# 75 VAL H 76 SER H 4.972
&rst
ixpk= 0, nxpk= 0, iat=1138,1154, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 76 SER H 76 SER HB2 4.356
&rst
ixpk= 0, nxpk= 0, iat=1154,1158, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 75 VAL HB 76 SER H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1142,1154, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 77 GLY H 79 ARG H 5.467
&rst
ixpk= 0, nxpk= 0, iat=1165,1184, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 75 VAL H 78 ASP H 5.709
&rst
ixpk= 0, nxpk= 0, iat=1138,1172, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 78 ASP H 79 ARG H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1172,1184, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 78 ASP H 78 ASP HB2 4.334
&rst
ixpk= 0, nxpk= 0, iat=1172,1176, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 78 ASP H 78 ASP HB3 4.334
&rst
ixpk= 0, nxpk= 0, iat=1172,1177, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 74 MET QB 78 ASP H 5.049
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1125,1126,
&end
#
# 74 MET QE 78 ASP H 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1132,1133,1134,
&end
#
# 78 ASP H 79 ARG QB 4.73
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1188,1189,
&end
#
# 78 ASP H 79 ARG HG3 5.225
&rst
ixpk= 0, nxpk= 0, iat=1172,1192, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 75 VAL QG2 78 ASP H 5.379
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1148,1149,1150,
&end
#
# 74 MET QB 79 ARG H 4.653
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1125,1126,
&end
#
# 79 ARG H 79 ARG QB 3.883
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1188,1189,
&end
#
# 79 ARG H 80 ILE QD1 5.247
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1221,1222,1223,
&end
#
# 75 VAL QG2 79 ARG H 4.444
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1148,1149,1150,
&end
#
# 43 TYR H 80 ILE H 5.951
&rst
ixpk= 0, nxpk= 0, iat= 637,1208, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 41 ILE H 80 ILE H 4.081
&rst
ixpk= 0, nxpk= 0, iat= 603,1208, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 42 GLU H 80 ILE H 5.995
&rst
ixpk= 0, nxpk= 0, iat= 622,1208, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 79 ARG H 80 ILE H 4.983
&rst
ixpk= 0, nxpk= 0, iat=1184,1208, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 40 PHE QD 80 ILE H 4.719
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 591, 599,
&end
#
# 40 PHE HA 80 ILE H 5.126
&rst
ixpk= 0, nxpk= 0, iat= 585,1208, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 79 ARG HA 80 ILE H 3.498
&rst
ixpk= 0, nxpk= 0, iat=1186,1208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HA 80 ILE H 4.532
&rst
ixpk= 0, nxpk= 0, iat= 624,1208, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 40 PHE HB3 80 ILE H 4.851
&rst
ixpk= 0, nxpk= 0, iat= 588,1208, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 80 ILE H 80 ILE HB 3.883
&rst
ixpk= 0, nxpk= 0, iat=1208,1212, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 80 ILE H 80 ILE HG13 4.4
&rst
ixpk= 0, nxpk= 0, iat=1208,1219, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 79 ARG QB 80 ILE H 4.048
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1188,1189,
&end
#
# 80 ILE H 80 ILE QD1 4.279
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1221,1222,1223,
&end
#
# 75 VAL QG2 80 ILE H 4.895
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1148,1149,1150,
&end
#
# 80 ILE H 85 ILE QD1 5.577
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1297,1298,1299,
&end
#
# 41 ILE QG2 80 ILE H 5.808
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 609, 610, 611,
&end
#
# 80 ILE H 81 HIS H 5.313
&rst
ixpk= 0, nxpk= 0, iat=1208,1227, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 40 PHE QE 81 HIS H 4.829
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 593, 597,
&end
#
# 81 HIS H 84 ASP H 5.368
&rst
ixpk= 0, nxpk= 0, iat=1227,1272, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 40 PHE QD 81 HIS H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 591, 599,
&end
#
# 80 ILE HA 81 HIS H 3.531
&rst
ixpk= 0, nxpk= 0, iat=1210,1227, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 75 VAL HA 81 HIS H 6.05
&rst
ixpk= 0, nxpk= 0, iat=1140,1227, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 81 HIS H 81 HIS HB2 3.982
&rst
ixpk= 0, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 81 HIS H 84 ASP HB2 4.224
&rst
ixpk= 0, nxpk= 0, iat=1227,1276, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 81 HIS H 84 ASP HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1227,1277, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 81 HIS H 85 ILE HG13 4.653
&rst
ixpk= 0, nxpk= 0, iat=1227,1295, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 80 ILE QG2 81 HIS H 3.971
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1214,1215,1216,
&end
#
# 75 VAL QG1 81 HIS H 5.093
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1144,1145,1146,
&end
#
# 75 VAL QG2 81 HIS H 5.423
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1148,1149,1150,
&end
#
# 81 HIS H 85 ILE QD1 5.929
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=1297,1298,1299,
&end
#
# 82 CYS H 83 MET H 4.763
&rst
ixpk= 0, nxpk= 0, iat=1244,1255, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 81 HIS H 82 CYS H 5.159
&rst
ixpk= 0, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 40 PHE H 82 CYS H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 583,1244, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 82 CYS H 84 ASP H 5.434
&rst
ixpk= 0, nxpk= 0, iat=1244,1272, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 PHE QD 82 CYS H 4.961
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 591, 599,
&end
#
# 40 PHE HA 82 CYS H 4.433
&rst
ixpk= 0, nxpk= 0, iat= 585,1244, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 81 HIS HA 82 CYS H 3.608
&rst
ixpk= 0, nxpk= 0, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 39 GLN HA 82 CYS H 5.522
&rst
ixpk= 0, nxpk= 0, iat= 568,1244, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 81 HIS HB2 82 CYS H 4.686
&rst
ixpk= 0, nxpk= 0, iat=1231,1244, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 39 GLN HB2 82 CYS H 5.599
&rst
ixpk= 0, nxpk= 0, iat= 570,1244, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 82 CYS H 82 CYS HB2 4.092
&rst
ixpk= 0, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 82 CYS H 82 CYS HB3 4.092
&rst
ixpk= 0, nxpk= 0, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 82 CYS H 85 ILE QD1 5.61
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1297,1298,1299,
&end
#
# 81 HIS HB2 83 MET H 5.775
&rst
ixpk= 0, nxpk= 0, iat=1231,1255, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 83 MET H 84 ASP HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat=1255,1276, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 83 MET H 83 MET HG2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1255,1262, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 83 MET H 83 MET HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1255,1263, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 83 MET H 83 MET HB2 4.433
&rst
ixpk= 0, nxpk= 0, iat=1255,1259, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 83 MET H 83 MET HB3 4.433
&rst
ixpk= 0, nxpk= 0, iat=1255,1260, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 82 CYS HB2 83 MET H 5.269
&rst
ixpk= 0, nxpk= 0, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 82 CYS HB3 83 MET H 5.269
&rst
ixpk= 0, nxpk= 0, iat=1249,1255, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 83 MET H 84 ASP H 4.015
&rst
ixpk= 0, nxpk= 0, iat=1255,1272, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 84 ASP H 84 ASP HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1272,1276, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 84 ASP H 84 ASP HB3 4.114
&rst
ixpk= 0, nxpk= 0, iat=1272,1277, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 83 MET HB2 84 ASP H 4.642
&rst
ixpk= 0, nxpk= 0, iat=1259,1272, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 83 MET HB3 84 ASP H 4.642
&rst
ixpk= 0, nxpk= 0, iat=1260,1272, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 84 ASP H 85 ILE HG13 4.873
&rst
ixpk= 0, nxpk= 0, iat=1272,1295, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 80 ILE QG2 84 ASP H 5.236
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1214,1215,1216,
&end
#
# 84 ASP H 85 ILE HG12 6.017
&rst
ixpk= 0, nxpk= 0, iat=1272,1294, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 84 ASP H 85 ILE QD1 5.94
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1297,1298,1299,
&end
#
# 83 MET H 85 ILE H 5.104
&rst
ixpk= 0, nxpk= 0, iat=1255,1284, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 85 ILE H 86 LEU H 3.905
&rst
ixpk= 0, nxpk= 0, iat=1284,1303, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 26 PHE QE 85 ILE H 5.676
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 355, 359,
&end
#
# 83 MET HA 85 ILE H 5.566
&rst
ixpk= 0, nxpk= 0, iat=1257,1284, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 82 CYS HA 85 ILE H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1246,1284, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 84 ASP HB2 85 ILE H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 84 ASP HB3 85 ILE H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1277,1284, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 85 ILE H 85 ILE HB 3.74
&rst
ixpk= 0, nxpk= 0, iat=1284,1288, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 85 ILE H 85 ILE HG13 3.949
&rst
ixpk= 0, nxpk= 0, iat=1284,1295, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 80 ILE QG2 85 ILE H 4.532
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1214,1215,1216,
&end
#
# 85 ILE H 85 ILE HG12 4.059
&rst
ixpk= 0, nxpk= 0, iat=1284,1294, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 85 ILE H 85 ILE QD1 4.191
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1297,1298,1299,
&end
#
# 85 ILE H 85 ILE QG2 4.301
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1290,1291,1292,
&end
#
# 86 LEU H 87 PHE H 4.059
&rst
ixpk= 0, nxpk= 0, iat=1303,1322, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 86 LEU H 88 ALA H 5.104
&rst
ixpk= 0, nxpk= 0, iat=1303,1342, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 84 ASP H 86 LEU H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1272,1303, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 26 PHE QE 86 LEU H 4.521
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 355, 359,
&end
#
# 83 MET HA 86 LEU H 4.367
&rst
ixpk= 0, nxpk= 0, iat=1257,1303, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 82 CYS HA 86 LEU H 4.686
&rst
ixpk= 0, nxpk= 0, iat=1246,1303, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 85 ILE HB 86 LEU H 3.894
&rst
ixpk= 0, nxpk= 0, iat=1288,1303, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 86 LEU H 86 LEU HB2 3.806
&rst
ixpk= 0, nxpk= 0, iat=1303,1307, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 86 LEU H 86 LEU HB3 3.806
&rst
ixpk= 0, nxpk= 0, iat=1303,1308, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 86 LEU H 86 LEU QD1 4.785
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1312,1313,1314,
&end
#
# 85 ILE QG2 86 LEU H 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1290,1291,1292,
&end
#
# 87 PHE H 88 ALA H 3.828
&rst
ixpk= 0, nxpk= 0, iat=1322,1342, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 85 ILE H 87 PHE H 5.225
&rst
ixpk= 0, nxpk= 0, iat=1284,1322, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 87 PHE H 87 PHE QD 4.51
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1330,1338,
&end
#
# 84 ASP HA 87 PHE H 4.675
&rst
ixpk= 0, nxpk= 0, iat=1274,1322, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 87 PHE H 87 PHE HB2 3.641
&rst
ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 87 PHE H 87 PHE HB3 3.641
&rst
ixpk= 0, nxpk= 0, iat=1322,1327, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 86 LEU HB2 87 PHE H 4.598
&rst
ixpk= 0, nxpk= 0, iat=1307,1322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 86 LEU HB3 87 PHE H 4.598
&rst
ixpk= 0, nxpk= 0, iat=1308,1322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 88 ALA H 89 PHE H 3.729
&rst
ixpk= 0, nxpk= 0, iat=1342,1352, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 26 PHE H 27 TYR QD 5.478
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 373, 382,
&end
#
# 87 PHE QD 88 ALA H 5.852
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1330,1338,
&end
#
# 84 ASP HA 88 ALA H 5.588
&rst
ixpk= 0, nxpk= 0, iat=1274,1342, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 85 ILE HA 88 ALA H 4.422
&rst
ixpk= 0, nxpk= 0, iat=1286,1342, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 87 PHE HB3 88 ALA H 4.455
&rst
ixpk= 0, nxpk= 0, iat=1327,1342, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 88 ALA H 89 PHE HB2 5.797
&rst
ixpk= 0, nxpk= 0, iat=1342,1356, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 88 ALA H 88 ALA QB 3.135
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1346,1347,1348,
&end
#
# 88 ALA H 91 LYS QB 6.006
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1390,1391,
&end
#
# 88 ALA H 91 LYS QD 6.05
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1396,1397,
&end
#
# 89 PHE H 89 PHE QD 4.048
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1360,1368,
&end
#
# 86 LEU HA 89 PHE H 4.312
&rst
ixpk= 0, nxpk= 0, iat=1305,1352, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 89 PHE H 89 PHE HB3 4.609
&rst
ixpk= 0, nxpk= 0, iat=1352,1357, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 89 PHE H 89 PHE HB2 4.092
&rst
ixpk= 0, nxpk= 0, iat=1352,1356, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 88 ALA QB 89 PHE H 3.806
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1346,1347,1348,
&end
#
# 89 PHE H 91 LYS QD 6.05
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1396,1397,
&end
#
# 89 PHE H 90 THR QG2 5.313
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1378,1379,1380,
&end
#
# 85 ILE QG2 89 PHE H 5.401
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1290,1291,1292,
&end
#
# 89 PHE H 90 THR H 3.949
&rst
ixpk= 0, nxpk= 0, iat=1352,1372, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 90 THR H 91 LYS H 3.927
&rst
ixpk= 0, nxpk= 0, iat=1372,1386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 89 PHE QD 90 THR H 5.412
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1360,1368,
&end
#
# 90 THR H 92 ARG H 5.819
&rst
ixpk= 0, nxpk= 0, iat=1372,1408, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 89 PHE HB3 90 THR H 4.389
&rst
ixpk= 0, nxpk= 0, iat=1357,1372, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 89 PHE HB2 90 THR H 4.785
&rst
ixpk= 0, nxpk= 0, iat=1356,1372, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 88 ALA QB 90 THR H 5.049
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1346,1347,1348,
&end
#
# 90 THR H 91 LYS QB 4.917
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1390,1391,
&end
#
# 90 THR H 91 LYS QD 5.951
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1396,1397,
&end
#
# 90 THR H 90 THR QG2 4.081
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1378,1379,1380,
&end
#
# 89 PHE H 91 LYS H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1352,1386, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 91 LYS H 93 VAL H 5.137
&rst
ixpk= 0, nxpk= 0, iat=1386,1432, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 89 PHE HA 91 LYS H 5.071
&rst
ixpk= 0, nxpk= 0, iat=1354,1386, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 90 THR HB 91 LYS H 4.763
&rst
ixpk= 0, nxpk= 0, iat=1376,1386, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 91 LYS H 91 LYS QB 3.344
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1390,1391,
&end
#
# 91 LYS H 91 LYS QD 4.598
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1396,1397,
&end
#
# 90 THR QG2 91 LYS H 4.433
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1378,1379,1380,
&end
#
# 91 LYS H 94 LEU QQD 4.895
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 91 LYS H 92 ARG H 3.795
&rst
ixpk= 0, nxpk= 0, iat=1386,1408, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 92 ARG H 93 VAL H 3.784
&rst
ixpk= 0, nxpk= 0, iat=1408,1432, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 89 PHE HA 92 ARG H 4.862
&rst
ixpk= 0, nxpk= 0, iat=1354,1408, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 92 ARG H 93 VAL HB 5.555
&rst
ixpk= 0, nxpk= 0, iat=1408,1436, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 91 LYS QB 92 ARG H 3.311
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1390,1391,
&end
#
# 79 ARG H 79 ARG HG3 4.829
&rst
ixpk= 0, nxpk= 0, iat=1184,1192, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 92 ARG H 93 VAL QG2 4.686
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1442,1443,1444,
&end
#
# 93 VAL H 94 LEU H 3.553
&rst
ixpk= 0, nxpk= 0, iat=1432,1448, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 90 THR HB 93 VAL H 6.05
&rst
ixpk= 0, nxpk= 0, iat=1376,1432, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 93 VAL H 94 LEU HA 6.05
&rst
ixpk= 0, nxpk= 0, iat=1432,1450, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 93 VAL H 93 VAL HB 3.63
&rst
ixpk= 0, nxpk= 0, iat=1432,1436, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 92 ARG HB3 93 VAL H 4.818
&rst
ixpk= 0, nxpk= 0, iat=1413,1432, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 93 VAL H 93 VAL QG2 3.619
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1442,1443,1444,
&end
#
# 92 ARG H 94 LEU H 5.247
&rst
ixpk= 0, nxpk= 0, iat=1408,1448, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 92 ARG HA 94 LEU H 5.786
&rst
ixpk= 0, nxpk= 0, iat=1410,1448, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 94 LEU H 95 GLY QA 6.05
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1469,1470,
&end
#
# 90 THR HA 94 LEU H 4.268
&rst
ixpk= 0, nxpk= 0, iat=1374,1448, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 93 VAL HB 94 LEU H 3.806
&rst
ixpk= 0, nxpk= 0, iat=1436,1448, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 94 LEU H 94 LEU HG 3.223
&rst
ixpk= 0, nxpk= 0, iat=1448,1455, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 94 LEU H 94 LEU HB2 3.729
&rst
ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 90 THR QG2 94 LEU H 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1378,1379,1380,
&end
#
# 92 ARG H 95 GLY H 5.533
&rst
ixpk= 0, nxpk= 0, iat=1408,1467, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 93 VAL H 95 GLY H 4.675
&rst
ixpk= 0, nxpk= 0, iat=1432,1467, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 95 GLY H 95 GLY QA 3.113
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1469,1470,
&end
#
# 91 LYS HA 95 GLY H 5.258
&rst
ixpk= 0, nxpk= 0, iat=1388,1467, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 93 VAL HA 95 GLY H 5.643
&rst
ixpk= 0, nxpk= 0, iat=1434,1467, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 93 VAL HB 95 GLY H 5.566
&rst
ixpk= 0, nxpk= 0, iat=1436,1467, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 94 LEU HB3 95 GLY H 4.114
&rst
ixpk= 0, nxpk= 0, iat=1453,1467, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 94 LEU HB2 95 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1452,1467, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 94 LEU QQD 95 GLY H 4.785
&rst
ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1457,1458,1459,1461,1462,1463,
&end
#
# 95 GLY QA 96 GLU H 3.707
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1469,1470,
&end
#
# 91 LYS HA 96 GLU H 4.851
&rst
ixpk= 0, nxpk= 0, iat=1388,1474, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 70 MET HB3 71 ASP H 5.181
&rst
ixpk= 0, nxpk= 0, iat=1064,1076, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 96 GLU H 96 GLU QG 5.456
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1481,1482,
&end
#
# 96 GLU H 96 GLU HB3 4.367
&rst
ixpk= 0, nxpk= 0, iat=1474,1479, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 91 LYS QB 96 GLU H 5.577
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1390,1391,
&end
#
# 94 LEU HB3 96 GLU H 5.819
&rst
ixpk= 0, nxpk= 0, iat=1453,1474, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 95 GLY QA 97 SER H 5.445
&rst
ixpk= 0, nxpk= 0, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1469,1470,
&end
#
# 97 SER H 97 SER QB 3.872
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1493,1494,
&end
#
# 59 ILE H 63 ASN HD21 5.786
&rst
ixpk= 0, nxpk= 0, iat= 881, 955, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 63 ASN HA 63 ASN HD21 5.489
&rst
ixpk= 0, nxpk= 0, iat= 948, 955, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 61 LYS HA 63 ASN HD21 5.016
&rst
ixpk= 0, nxpk= 0, iat= 912, 955, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 61 LYS QG 63 ASN HD21 5.038
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 917, 918,
&end
#
# 59 ILE QG2 63 ASN HD21 4.697
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 887, 888, 889,
&end
#
# 51 ASP HB2 63 ASN HD22 4.972
&rst
ixpk= 0, nxpk= 0, iat= 761, 956, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 50 ALA QB 63 ASN HD22 4.631
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 751, 752, 753,
&end
#
# 69 ASN H 69 ASN HD22 5.577
&rst
ixpk= 0, nxpk= 0, iat=1045,1055, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 69 ASN HA 69 ASN HD22 5.06
&rst
ixpk= 0, nxpk= 0, iat=1047,1055, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 66 SER HA 69 ASN HD22 5.203
&rst
ixpk= 0, nxpk= 0, iat= 998,1055, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 69 ASN HB2 69 ASN HD22 3.916
&rst
ixpk= 0, nxpk= 0, iat=1049,1055, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 ILE QG2 69 ASN HD22 3.729
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 983, 984, 985,
&end
#
# 69 ASN HA 69 ASN HD21 5.445
&rst
ixpk= 0, nxpk= 0, iat=1047,1054, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 65 ILE QG2 69 ASN HD21 3.707
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 983, 984, 985,
&end
#
# 37 ALA QB 39 GLN HE22 4.675
&rst
ixpk= 0, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 546, 547, 548,
&end
#
# 76 SER HB2 77 GLY H 4.917
&rst
ixpk= 0, nxpk= 0, iat=1158,1165, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 11 THR HB 12 GLU H 4.389
&rst
ixpk= 0, nxpk= 0, iat= 133, 143, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 LYS H 63 ASN HD22 6.05
&rst
ixpk= 0, nxpk= 0, iat= 910, 956, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 23 PHE HA 26 PHE H 4.114
&rst
ixpk= 0, nxpk= 0, iat= 298, 345, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 26 PHE H 26 PHE HB2 3.707
&rst
ixpk= 0, nxpk= 0, iat= 345, 349, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 26 PHE H 26 PHE HB3 3.652
&rst
ixpk= 0, nxpk= 0, iat= 345, 350, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 25 MET HB3 26 PHE H 4.356
&rst
ixpk= 0, nxpk= 0, iat= 333, 345, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 25 MET QE 26 PHE H 4.092
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 339, 340, 341,
&end
#
# 25 MET HG2 26 PHE H 4.532
&rst
ixpk= 0, nxpk= 0, iat= 335, 345, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 26 PHE H 53 LEU QD2 4.675
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 792, 793, 794,
&end
#
# 23 PHE QB 26 PHE H 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 300, 301,
&end
#
# 26 PHE H 27 TYR HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 345, 369, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 26 PHE H 27 TYR H 3.861
&rst
ixpk= 0, nxpk= 0, iat= 345, 365, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 18 LEU H 18 LEU QD2 4.807
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 240, 241, 242,
&end
#
# 45 VAL QG2 48 ASP H 5.236
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 679, 680, 681,
&end
#
# 24 ASP H 24 ASP HB3 3.762
&rst
ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 31 GLU H 31 GLU HB3 4.081
&rst
ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 51 ASP H 51 ASP HB3 3.608
&rst
ixpk= 0, nxpk= 0, iat= 757, 762, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 36 GLU H 36 GLU QG 3.762
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 534, 535,
&end
#
# 36 GLU QG 37 ALA H 4.906
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 534, 535,
&end
#
# 70 MET HA 72 LEU H 5.577
&rst
ixpk= 0, nxpk= 0, iat=1061,1088, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 70 MET H 72 LEU H 6.05
&rst
ixpk= 0, nxpk= 0, iat=1059,1088, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 20 GLU H 23 PHE H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 257, 296, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 20 GLU QG 21 ASP H 4.807
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 264, 265,
&end
#
# 27 TYR H 27 TYR HB3 3.949
&rst
ixpk= 0, nxpk= 0, iat= 365, 370, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 PHE HB2 27 TYR H 4.213
&rst
ixpk= 0, nxpk= 0, iat= 349, 365, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 67 LEU H 67 LEU HG 3.817
&rst
ixpk= 0, nxpk= 0, iat=1007,1014, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 66 SER H 67 LEU H 4.015
&rst
ixpk= 0, nxpk= 0, iat= 996,1007, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 33 PHE H 35 PRO HD3 5.357
&rst
ixpk= 0, nxpk= 0, iat= 481, 515, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 41 ILE HG12 42 GLU H 4.752
&rst
ixpk= 0, nxpk= 0, iat= 613, 622, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 43 TYR H 79 ARG HG3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 637,1192, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 43 TYR H 80 ILE HG13 5.907
&rst
ixpk= 0, nxpk= 0, iat= 637,1219, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 46 LEU HA 48 ASP H 4.576
&rst
ixpk= 0, nxpk= 0, iat= 687, 715, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 47 SER QB 48 ASP H 4.741
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 708, 709,
&end
#
# 31 GLU HA 34 ASP H 3.806
&rst
ixpk= 0, nxpk= 0, iat= 446, 501, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 86 LEU QD2 87 PHE H 5.357
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1316,1317,1318,
&end
#
# 86 LEU QD1 87 PHE H 5.357
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1312,1313,1314,
&end
#
# 33 PHE H 33 PHE HZ 6.05
&rst
ixpk= 0, nxpk= 0, iat= 481, 493, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 29 ILE QD1 52 ALA HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 414, 415, 416,
&end
#
# 28 GLU HG3 29 ILE QD1 4.994
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 414, 415, 416,
&end
#
# 25 MET HG2 29 ILE QD1 5.379
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 414, 415, 416,
&end
#
# 29 ILE QD1 53 LEU HA 4.389
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 414, 415, 416,
&end
#
# 28 GLU HG2 29 ILE QD1 4.994
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 414, 415, 416,
&end
#
# 28 GLU QB 29 ILE QD1 4.378
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 390, 391,
igr2= 414, 415, 416,
&end
#
# 64 GLN HB3 65 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 990, 991, 992,
&end
#
# 65 ILE HA 65 ILE QD1 4.356
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 990, 991, 992,
&end
#
# 65 ILE HB 65 ILE QD1 3.817
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 990, 991, 992,
&end
#
# 33 PHE HB2 41 ILE QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 616, 617, 618,
&end
#
# 33 PHE HB3 41 ILE QD1 4.807
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 616, 617, 618,
&end
#
# 41 ILE QD1 46 LEU HB2 4.939
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 616, 617, 618,
&end
#
# 41 ILE QD1 46 LEU HG 5.192
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 616, 617, 618,
&end
#
# 41 ILE QD1 49 PHE HB3 4.345
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 616, 617, 618,
&end
#
# 41 ILE HB 41 ILE QD1 4.048
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 616, 617, 618,
&end
#
# 33 PHE QD 41 ILE QD1 5.269
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 489, 497,
igr2= 616, 617, 618,
&end
#
# 30 TRP HZ2 41 ILE QD1 5.159
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 616, 617, 618,
&end
#
# 68 ILE HA 68 ILE QD1 4.312
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1039,1040,1041,
&end
#
# 68 ILE HB 68 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1039,1040,1041,
&end
#
# 64 GLN QG 68 ILE QD1 4.708
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 967, 968,
igr2=1039,1040,1041,
&end
#
# 59 ILE QD1 89 PHE QD 5.071
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 894, 895, 896,
igr2=1360,1368,
&end
#
# 50 ALA HA 59 ILE QD1 4.851
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 894, 895, 896,
&end
#
# 59 ILE QD1 89 PHE QE 5.071
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 894, 895, 896,
igr2=1362,1366,
&end
#
# 50 ALA QB 59 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 751, 752, 753,
igr2= 894, 895, 896,
&end
#
# 59 ILE HB 59 ILE QD1 4.301
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 894, 895, 896,
&end
#
# 51 ASP H 59 ILE QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 894, 895, 896,
&end
#
# 59 ILE QD1 70 MET QE 3.542
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 894, 895, 896,
igr2=1070,1071,1072,
&end
#
# 80 ILE QD1 85 ILE QD1 3.883
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1221,1222,1223,
igr2=1297,1298,1299,
&end
#
# 85 ILE HB 85 ILE QD1 3.828
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1297,1298,1299,
&end
#
# 80 ILE HB 85 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1297,1298,1299,
&end
#
# 26 PHE QE 85 ILE QD1 5.038
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 355, 359,
igr2=1297,1298,1299,
&end
#
# 41 ILE QD1 85 ILE QD1 4.059
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 616, 617, 618,
igr2=1297,1298,1299,
&end
#
# 80 ILE QG2 85 ILE QD1 3.663
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1214,1215,1216,
igr2=1297,1298,1299,
&end
#
# 85 ILE HA 85 ILE QD1 4.224
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1297,1298,1299,
&end
#
# 41 ILE HG12 85 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1297,1298,1299,
&end
#
# 36 GLU HB2 37 ALA QB 6.05
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 546, 547, 548,
&end
#
# 74 MET HA 80 ILE QD1 5.137
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1221,1222,1223,
&end
#
# 80 ILE HA 80 ILE QD1 4.642
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1221,1222,1223,
&end
#
# 74 MET HG2 80 ILE QD1 5.027
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1221,1222,1223,
&end
#
# 46 LEU HG 80 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1221,1222,1223,
&end
#
# 80 ILE HB 80 ILE QD1 3.619
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1221,1222,1223,
&end
#
# 41 ILE QG2 85 ILE QD1 4.048
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 609, 610, 611,
igr2=1297,1298,1299,
&end
#
# 41 ILE QG2 41 ILE HG13 4.158
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 609, 610, 611,
&end
#
# 41 ILE QG2 41 ILE HG12 4.015
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 609, 610, 611,
&end
#
# 33 PHE HB3 41 ILE QG2 4.576
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 609, 610, 611,
&end
#
# 33 PHE HB2 41 ILE QG2 4.708
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 609, 610, 611,
&end
#
# 41 ILE QG2 41 ILE QD1 3.619
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 609, 610, 611,
igr2= 616, 617, 618,
&end
#
# 34 ASP HB2 41 ILE QG2 5.258
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 609, 610, 611,
&end
#
# 25 MET HB3 25 MET QE 3.729
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 339, 340, 341,
&end
#
# 41 ILE QD1 80 ILE QD1 5.291
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 616, 617, 618,
igr2=1221,1222,1223,
&end
#
# 25 MET QE 57 LEU HB3 4.235
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 339, 340, 341,
&end
#
# 25 MET QE 57 LEU HG 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 339, 340, 341,
&end
#
# 25 MET QE 57 LEU HB2 4.235
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 339, 340, 341,
&end
#
# 25 MET QE 53 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 339, 340, 341,
igr2= 792, 793, 794,
&end
#
# 25 MET QE 53 LEU HA 4.928
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 339, 340, 341,
&end
#
# 22 ASP HA 25 MET QE 4.103
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 339, 340, 341,
&end
#
# 25 MET HG3 25 MET QE 3.784
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 339, 340, 341,
&end
#
# 25 MET QE 54 SER HB3 4.741
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 339, 340, 341,
&end
#
# 25 MET QE 54 SER HA 5.324
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 339, 340, 341,
&end
#
# 25 MET QE 53 LEU QB 4.059
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 339, 340, 341,
igr2= 783, 784,
&end
#
# 25 MET HG2 25 MET QE 3.949
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 339, 340, 341,
&end
#
# 25 MET QE 26 PHE HB2 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 339, 340, 341,
&end
#
# 83 MET QE 86 LEU HA 5.555
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1266,1267,1268,
&end
#
# 83 MET QE 86 LEU HG 4.862
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1266,1267,1268,
&end
#
# 83 MET HG2 83 MET QE 4.356
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1266,1267,1268,
&end
#
# 43 TYR HA 74 MET QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1132,1133,1134,
&end
#
# 74 MET HA 74 MET QE 4.961
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1132,1133,1134,
&end
#
# 50 ALA QB 85 ILE QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 751, 752, 753,
igr2=1290,1291,1292,
&end
#
# 74 MET QE 78 ASP HA 3.982
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1132,1133,1134,
&end
#
# 74 MET QE 80 ILE QD1 4.004
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1132,1133,1134,
igr2=1221,1222,1223,
&end
#
# 74 MET HG3 74 MET QE 4.532
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1132,1133,1134,
&end
#
# 68 ILE QG2 69 ASN HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1032,1033,1034,
&end
#
# 68 ILE QG2 68 ILE HG12 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1032,1033,1034,
&end
#
# 68 ILE QG2 68 ILE HG13 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1032,1033,1034,
&end
#
# 68 ILE QG2 69 ASN HA 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1032,1033,1034,
&end
#
# 65 ILE QG2 69 ASN HB2 5.027
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 983, 984, 985,
&end
#
# 65 ILE QG2 66 SER HA 4.499
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 983, 984, 985,
&end
#
# 65 ILE HA 65 ILE QG2 3.443
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 983, 984, 985,
&end
#
# 70 MET HG2 70 MET QE 3.916
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1070,1071,1072,
&end
#
# 59 ILE HG13 70 MET QE 4.972
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1070,1071,1072,
&end
#
# 59 ILE HG12 70 MET QE 4.345
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1070,1071,1072,
&end
#
# 70 MET HB3 70 MET QE 4.73
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1070,1071,1072,
&end
#
# 59 ILE HA 70 MET QE 5.852
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1070,1071,1072,
&end
#
# 66 SER HB3 70 MET QE 5.401
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1070,1071,1072,
&end
#
# 70 MET QE 89 PHE HA 3.971
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1070,1071,1072,
&end
#
# 66 SER HA 70 MET QE 4.895
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1070,1071,1072,
&end
#
# 66 SER HB2 70 MET QE 5.401
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1070,1071,1072,
&end
#
# 70 MET HG3 70 MET QE 3.542
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1070,1071,1072,
&end
#
# 29 ILE QG2 29 ILE HG13 4.037
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 407, 408, 409,
&end
#
# 29 ILE QG2 53 LEU HA 4.301
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 407, 408, 409,
&end
#
# 29 ILE QG2 33 PHE HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 407, 408, 409,
&end
#
# 58 ARG HD2 60 ALA QB 4.818
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 904, 905, 906,
&end
#
# 29 ILE QG2 33 PHE HZ 4.983
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 407, 408, 409,
&end
#
# 58 ARG HD3 60 ALA QB 4.818
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 904, 905, 906,
&end
#
# 59 ILE HA 60 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 904, 905, 906,
&end
#
# 58 ARG QG 60 ALA QB 5.511
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 864, 865,
igr2= 904, 905, 906,
&end
#
# 59 ILE QG2 67 LEU HG 5.181
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 887, 888, 889,
&end
#
# 59 ILE QG2 59 ILE QD1 3.432
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 887, 888, 889,
igr2= 894, 895, 896,
&end
#
# 59 ILE QG2 63 ASN HB3 3.795
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 887, 888, 889,
&end
#
# 47 SER HA 50 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 751, 752, 753,
&end
#
# 50 ALA QB 59 ILE HG13 4.785
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 751, 752, 753,
&end
#
# 49 PHE HB3 50 ALA QB 5.093
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 751, 752, 753,
&end
#
# 50 ALA QB 59 ILE QG2 3.993
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 751, 752, 753,
igr2= 887, 888, 889,
&end
#
# 10 ALA QB 11 THR HB 5.126
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 123, 124, 125,
&end
#
# 52 ALA QB 53 LEU HG 3.927
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 773, 774, 775,
&end
#
# 50 ALA QB 59 ILE HG12 4.312
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 751, 752, 753,
&end
#
# 33 PHE QE 52 ALA QB 3.674
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 491, 495,
igr2= 773, 774, 775,
&end
#
# 70 MET HB2 88 ALA QB 4.642
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1346,1347,1348,
&end
#
# 85 ILE QG2 88 ALA QB 5.269
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=1290,1291,1292,
igr2=1346,1347,1348,
&end
#
# 70 MET HG3 88 ALA QB 5.654
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1346,1347,1348,
&end
#
# 70 MET HG2 88 ALA QB 5.467
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1346,1347,1348,
&end
#
# 88 ALA QB 89 PHE HA 4.917
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1346,1347,1348,
&end
#
# 70 MET HB3 88 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1346,1347,1348,
&end
#
# 74 MET QB 75 VAL QG2 5.049
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1125,1126,
igr2=1148,1149,1150,
&end
#
# 75 VAL QG2 76 SER HA 5.291
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1148,1149,1150,
&end
#
# 40 PHE HB3 75 VAL QG2 4.906
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1148,1149,1150,
&end
#
# 40 PHE QE 75 VAL QG2 4.268
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 593, 597,
igr2=1148,1149,1150,
&end
#
# 80 ILE QG2 88 ALA QB 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1214,1215,1216,
igr2=1346,1347,1348,
&end
#
# 73 PRO HD2 80 ILE QG2 5.885
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1214,1215,1216,
&end
#
# 80 ILE QG2 80 ILE QD1 3.531
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1214,1215,1216,
igr2=1221,1222,1223,
&end
#
# 26 PHE HB3 86 LEU QD2 5.313
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1316,1317,1318,
&end
#
# 86 LEU HA 86 LEU QD2 4.422
&rst
ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1316,1317,1318,
&end
#
# 23 PHE QR 86 LEU QD2 4.554
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 306, 310, 304, 312,
igr2=1316,1317,1318,
&end
#
# 86 LEU HB2 86 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1316,1317,1318,
&end
#
# 41 ILE QG2 45 VAL QG2 3.949
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 609, 610, 611,
igr2= 679, 680, 681,
&end
#
# 41 ILE QD1 45 VAL QG2 3.498
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 616, 617, 618,
igr2= 679, 680, 681,
&end
#
# 42 GLU HB2 45 VAL QG1 4.829
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 675, 676, 677,
&end
#
# 42 GLU HB2 45 VAL QG2 5.027
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 679, 680, 681,
&end
#
# 42 GLU HB3 45 VAL QG1 4.829
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 675, 676, 677,
&end
#
# 42 GLU HB3 45 VAL QG2 5.027
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 679, 680, 681,
&end
#
# 57 LEU HA 93 VAL QG1 5.83
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1438,1439,1440,
&end
#
# 18 LEU HG 93 VAL QG1 3.938
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1438,1439,1440,
&end
#
# 86 LEU QD2 90 THR QG2 4.807
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1316,1317,1318,
igr2=1378,1379,1380,
&end
#
# 89 PHE HB2 90 THR QG2 4.543
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1378,1379,1380,
&end
#
# 86 LEU H 90 THR QG2 6.05
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1378,1379,1380,
&end
#
# 36 GLU QG 38 THR QG2 4.312
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 534, 535,
igr2= 558, 559, 560,
&end
#
# 36 GLU HB3 38 THR QG2 3.685
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 558, 559, 560,
&end
#
# 18 LEU HG 93 VAL QG2 5.203
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1442,1443,1444,
&end
#
# 89 PHE HB2 93 VAL QG2 6.05
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1442,1443,1444,
&end
#
# 17 PRO HB2 93 VAL QG2 5.214
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1442,1443,1444,
&end
#
# 47 SER QB 67 LEU QD1 4.499
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 708, 709,
igr2=1016,1017,1018,
&end
#
# 67 LEU HB2 67 LEU QD1 4.048
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1016,1017,1018,
&end
#
# 50 ALA QB 67 LEU QD1 3.905
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 751, 752, 753,
igr2=1016,1017,1018,
&end
#
# 46 LEU QD1 89 PHE QE 5.357
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 694, 695, 696,
igr2=1362,1366,
&end
#
# 46 LEU HB3 46 LEU QD1 4.026
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 694, 695, 696,
&end
#
# 22 ASP HA 57 LEU QD2 5.863
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 851, 852, 853,
&end
#
# 26 PHE HB3 53 LEU QD2 4.873
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 792, 793, 794,
&end
#
# 23 PHE QR 57 LEU QD2 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 306, 310, 304, 312,
igr2= 851, 852, 853,
&end
#
# 57 LEU QD2 90 THR QG2 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 851, 852, 853,
igr2=1378,1379,1380,
&end
#
# 25 MET QE 57 LEU QD2 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 339, 340, 341,
igr2= 851, 852, 853,
&end
#
# 72 LEU QD2 85 ILE QG2 5.533
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1101,1102,1103,
igr2=1290,1291,1292,
&end
#
# 18 LEU QD1 90 THR HB 5.071
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 236, 237, 238,
&end
#
# 70 MET HB3 72 LEU QD2 4.532
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1101,1102,1103,
&end
#
# 18 LEU HB3 18 LEU QD1 3.905
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 236, 237, 238,
&end
#
# 70 MET HB2 72 LEU QD2 4.576
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1101,1102,1103,
&end
#
# 72 LEU QD2 88 ALA QB 3.905
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1101,1102,1103,
igr2=1346,1347,1348,
&end
#
# 72 LEU QD2 85 ILE HA 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1101,1102,1103,
&end
#
# 26 PHE QD 57 LEU QD2 5.313
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 353, 361,
igr2= 851, 852, 853,
&end
#
# 72 LEU QD2 89 PHE QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1=1101,1102,1103,
igr2=1362,1366,
&end
#
# 56 PRO HG3 93 VAL QG1 4.928
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1438,1439,1440,
&end
#
# 67 LEU HB2 67 LEU QD2 4.048
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1020,1021,1022,
&end
#
# 63 ASN HB2 67 LEU QD2 5.302
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr2=1020,1021,1022,
&end
#
# 29 ILE QD1 32 LYS HG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 414, 415, 416,
&end
#
# 29 ILE QD1 32 LYS HG3 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 414, 415, 416,
&end
#
# 23 PHE QR 86 LEU QD1 4.554
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 306, 310, 304, 312,
igr2=1312,1313,1314,
&end
#
# 94 LEU HB2 94 LEU QQD 3.399
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 91 LYS HA 94 LEU QQD 4.037
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 57 LEU QD1 89 PHE HB2 4.884
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 847, 848, 849,
&end
#
# 57 LEU HA 57 LEU QD1 4.378
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 847, 848, 849,
&end
#
# 23 PHE QR 57 LEU QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1= 306, 310, 304, 312,
igr2= 847, 848, 849,
&end
#
# 90 THR HB 94 LEU HG 5.071
&rst
ixpk= 0, nxpk= 0, iat=1376,1455, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 46 LEU HB2 46 LEU QD2 4.301
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 698, 699, 700,
&end
#
# 49 PHE HB2 53 LEU QD1 6.039
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 788, 789, 790,
&end
#
# 46 LEU HB3 46 LEU QD2 4.026
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 698, 699, 700,
&end
#
# 50 ALA QB 53 LEU QD1 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 751, 752, 753,
igr2= 788, 789, 790,
&end
#
# 25 MET HG2 53 LEU HG 6.05
&rst
ixpk= 0, nxpk= 0, iat= 335, 786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 17 PRO HG2 18 LEU HB2 4.686
&rst
ixpk= 0, nxpk= 0, iat= 217, 231, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 26 PHE QD 53 LEU QD1 4.675
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 353, 361,
igr2= 788, 789, 790,
&end
#
# 35 PRO QG 36 GLU HA 5.445
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 517, 518,
&end
#
# 16 GLU HA 17 PRO HG3 5.115
&rst
ixpk= 0, nxpk= 0, iat= 200, 218, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 17 PRO HG2 93 VAL QG1 5.049
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1438,1439,1440,
&end
#
# 16 GLU HA 17 PRO HG2 5.5
&rst
ixpk= 0, nxpk= 0, iat= 200, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HG2 18 LEU HA 5.951
&rst
ixpk= 0, nxpk= 0, iat= 217, 229, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 75 VAL QG2 79 ARG HG3 4.862
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1148,1149,1150,
&end
#
# 17 PRO HG3 93 VAL QG1 4.895
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1438,1439,1440,
&end
#
# 17 PRO HG3 94 LEU QQD 4.532
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 72 LEU HA 73 PRO HG2 5.071
&rst
ixpk= 0, nxpk= 0, iat=1090,1111, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 70 MET HG3 72 LEU HG 5.962
&rst
ixpk= 0, nxpk= 0, iat=1067,1095, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 57 LEU HG 93 VAL QG2 5.082
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1442,1443,1444,
&end
#
# 79 ARG HG2 80 ILE QD1 5.786
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2=1221,1222,1223,
&end
#
# 36 GLU HB2 38 THR QG2 4.818
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 558, 559, 560,
&end
#
# 64 GLN HB3 68 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1039,1040,1041,
&end
#
# 64 GLN HB2 65 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 990, 991, 992,
&end
#
# 64 GLN HB2 68 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1039,1040,1041,
&end
#
# 65 ILE HA 65 ILE HG13 4.279
&rst
ixpk= 0, nxpk= 0, iat= 979, 988, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 29 ILE QD1 32 LYS QD 4.554
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 414, 415, 416,
igr2= 469, 470,
&end
#
# 32 LYS HA 32 LYS QD 4.048
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 469, 470,
&end
#
# 87 PHE QD 91 LYS QD 4.741
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1330,1338,
igr2=1396,1397,
&end
#
# 13 GLU HB3 13 GLU QG 3.234
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 165, 166,
&end
#
# 11 THR QG2 12 GLU HB3 5.819
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 135, 136, 137,
&end
#
# 11 THR QG2 12 GLU HB2 5.819
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 135, 136, 137,
&end
#
# 74 MET HG3 80 ILE HG13 5.192
&rst
ixpk= 0, nxpk= 0, iat=1129,1219, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 74 MET HG2 78 ASP HA 5.379
&rst
ixpk= 0, nxpk= 0, iat=1128,1174, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 90 THR HA 93 VAL HB 4.367
&rst
ixpk= 0, nxpk= 0, iat=1374,1436, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 74 MET HG3 80 ILE QD1 5.027
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1221,1222,1223,
&end
#
# 18 LEU HG 93 VAL HB 5.379
&rst
ixpk= 0, nxpk= 0, iat= 234,1436, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 17 PRO HB2 93 VAL QG1 4.499
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1438,1439,1440,
&end
#
# 90 THR QG2 93 VAL HB 5.269
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1378,1379,1380,
&end
#
# 74 MET HG2 74 MET QE 4.532
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1132,1133,1134,
&end
#
# 45 VAL HB 48 ASP HB3 5.324
&rst
ixpk= 0, nxpk= 0, iat= 673, 720, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 45 VAL HB 48 ASP HB2 5.885
&rst
ixpk= 0, nxpk= 0, iat= 673, 719, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 40 PHE HB3 79 ARG QB 5.236
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1188,1189,
&end
#
# 40 PHE QD 79 ARG QB 5.379
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 591, 599,
igr2=1188,1189,
&end
#
# 56 PRO HB2 93 VAL QG2 4.356
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1442,1443,1444,
&end
#
# 64 GLN HA 64 GLN QG 4.059
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 967, 968,
&end
#
# 55 GLU HA 56 PRO HB3 5.258
&rst
ixpk= 0, nxpk= 0, iat= 811, 832, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 55 GLU QG 58 ARG HB2 5.269
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 816, 817,
&end
#
# 55 GLU QG 60 ALA QB 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 816, 817,
igr2= 904, 905, 906,
&end
#
# 55 GLU QG 56 PRO HA 4.466
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 816, 817,
&end
#
# 55 GLU QG 58 ARG HB3 5.269
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 816, 817,
&end
#
# 16 GLU HA 16 GLU HG2 4.488
&rst
ixpk= 0, nxpk= 0, iat= 200, 205, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 74 MET QB 78 ASP HA 4.785
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1125,1126,
&end
#
# 74 MET QB 75 VAL QG1 5.445
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1125,1126,
igr2=1144,1145,1146,
&end
#
# 74 MET QB 80 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1=1125,1126,
igr2=1221,1222,1223,
&end
#
# 12 GLU HB2 12 GLU QG 3.3
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 150, 151,
&end
#
# 13 GLU HB2 13 GLU QG 3.234
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 165, 166,
&end
#
# 12 GLU HB3 12 GLU QG 3.3
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 150, 151,
&end
#
# 42 GLU HG2 79 ARG HG2 5.291
&rst
ixpk= 0, nxpk= 0, iat= 629,1191, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 42 GLU HG3 79 ARG HG2 5.291
&rst
ixpk= 0, nxpk= 0, iat= 630,1191, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 42 GLU HA 42 GLU HG2 4.345
&rst
ixpk= 0, nxpk= 0, iat= 624, 629, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 20 GLU HA 23 PHE QB 4.752
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 300, 301,
&end
#
# 27 TYR HB3 28 GLU HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 370, 388, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 65 ILE QG2 68 ILE HB 4.389
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 983, 984, 985,
&end
#
# 66 SER HA 69 ASN HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 998,1050, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 ILE QG2 49 PHE HB2 5.159
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 407, 408, 409,
&end
#
# 49 PHE HB2 52 ALA QB 5.291
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 773, 774, 775,
&end
#
# 45 VAL QG2 49 PHE HB2 4.972
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 679, 680, 681,
&end
#
# 46 LEU HA 49 PHE HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 687, 731, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 41 ILE HB 49 PHE HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 607, 731, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 41 ILE QD1 49 PHE HB2 4.961
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 616, 617, 618,
&end
#
# 50 ALA QB 63 ASN HB2 5.016
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 751, 752, 753,
&end
#
# 21 ASP HA 24 ASP HB3 4.334
&rst
ixpk= 0, nxpk= 0, iat= 274, 321, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 45 VAL QG1 48 ASP HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 675, 676, 677,
&end
#
# 45 VAL QG2 48 ASP HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 679, 680, 681,
&end
#
# 64 GLN HA 67 LEU HB2 5.522
&rst
ixpk= 0, nxpk= 0, iat= 962,1011, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 67 LEU HB3 68 ILE HA 5.214
&rst
ixpk= 0, nxpk= 0, iat=1012,1028, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 91 LYS QB 91 LYS HE3 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1390,1391,
&end
#
# 32 LYS HB2 32 LYS QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 472, 473,
&end
#
# 41 ILE HB 45 VAL QG2 4.972
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 679, 680, 681,
&end
#
# 32 LYS QD 32 LYS QE 3.234
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 469, 470,
igr2= 472, 473,
&end
#
# 46 LEU HB2 46 LEU QD1 4.301
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 694, 695, 696,
&end
#
# 29 ILE HA 32 LYS QE 4.334
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 472, 473,
&end
#
# 32 LYS HB3 32 LYS QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 472, 473,
&end
#
# 91 LYS HA 94 LEU HB3 5.401
&rst
ixpk= 0, nxpk= 0, iat=1388,1453, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 46 LEU HB2 50 ALA QB 5.929
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 751, 752, 753,
&end
#
# 92 ARG HA 92 ARG HD3 5.511
&rst
ixpk= 0, nxpk= 0, iat=1410,1419, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 55 GLU QG 58 ARG HD3 5.247
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 816, 817,
&end
#
# 55 GLU QG 58 ARG HD2 5.247
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 816, 817,
&end
#
# 51 ASP HB2 61 LYS QE 4.774
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 923, 924,
&end
#
# 51 ASP HB3 61 LYS QE 4.774
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 923, 924,
&end
#
# 17 PRO QD 94 LEU QQD 4.807
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 214, 215,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 73 PRO HD2 84 ASP HB2 5.456
&rst
ixpk= 0, nxpk= 0, iat=1108,1276, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 63 ASN HA 66 SER HB2 5.159
&rst
ixpk= 0, nxpk= 0, iat= 948,1000, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 34 ASP HA 35 PRO QG 4.631
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 517, 518,
&end
#
# 58 ARG QG 60 ALA HA 5.137
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 864, 865,
&end
#
# 60 ALA HA 63 ASN HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 902, 951, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 18 LEU HA 18 LEU HG 4.301
&rst
ixpk= 0, nxpk= 0, iat= 229, 234, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 18 LEU HA 18 LEU QD2 4.444
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 240, 241, 242,
&end
#
# 16 GLU HA 16 GLU HG3 4.488
&rst
ixpk= 0, nxpk= 0, iat= 200, 206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 16 GLU HA 17 PRO QD 3.157
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 214, 215,
&end
#
# 53 LEU HA 58 ARG HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 781, 859, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 74 MET HA 80 ILE HG13 4.84
&rst
ixpk= 0, nxpk= 0, iat=1123,1219, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 29 ILE HG12 53 LEU HA 4.906
&rst
ixpk= 0, nxpk= 0, iat= 411, 781, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 53 LEU HA 53 LEU QD1 4.367
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 788, 789, 790,
&end
#
# 50 ALA HA 53 LEU QB 5.401
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 783, 784,
&end
#
# 50 ALA HA 53 LEU HG 5.808
&rst
ixpk= 0, nxpk= 0, iat= 749, 786, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 50 ALA HA 59 ILE H 5.819
&rst
ixpk= 0, nxpk= 0, iat= 749, 881, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 74 MET HG3 78 ASP HA 5.379
&rst
ixpk= 0, nxpk= 0, iat=1129,1174, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 88 ALA HA 89 PHE QD 5.907
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1360,1368,
&end
#
# 96 GLU HA 96 GLU QG 3.388
&rst
ixpk= 0, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2=1481,1482,
&end
#
# 94 LEU HA 94 LEU QQD 3.41
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 93 VAL HA 94 LEU HA 5.423
&rst
ixpk= 0, nxpk= 0, iat=1434,1450, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 61 LYS HA 61 LYS QE 5.313
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 923, 924,
&end
#
# 61 LYS HA 63 ASN HB2 5.247
&rst
ixpk= 0, nxpk= 0, iat= 912, 950, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 61 LYS HA 62 PRO HB2 5.269
&rst
ixpk= 0, nxpk= 0, iat= 912, 939, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 61 LYS HA 62 PRO HB3 5.269
&rst
ixpk= 0, nxpk= 0, iat= 912, 940, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 42 GLU HA 79 ARG QB 4.609
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1188,1189,
&end
#
# 42 GLU HA 79 ARG HG3 4.741
&rst
ixpk= 0, nxpk= 0, iat= 624,1192, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 42 GLU HA 79 ARG HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= 624,1186, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 42 GLU HA 42 GLU HG3 4.345
&rst
ixpk= 0, nxpk= 0, iat= 624, 630, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 12 GLU HA 12 GLU QG 4.037
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 150, 151,
&end
#
# 13 GLU HA 13 GLU QG 4.279
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 165, 166,
&end
#
# 18 LEU H 19 SER HA 5.775
&rst
ixpk= 0, nxpk= 0, iat= 227, 248, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 55 GLU HA 58 ARG HA 5.324
&rst
ixpk= 0, nxpk= 0, iat= 811, 859, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 58 ARG HA 59 ILE HA 5.753
&rst
ixpk= 0, nxpk= 0, iat= 859, 883, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 53 LEU QD2 58 ARG HA 5.434
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 792, 793, 794,
&end
#
# 53 LEU QD1 58 ARG HA 4.532
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 788, 789, 790,
&end
#
# 21 ASP HA 24 ASP HB2 4.334
&rst
ixpk= 0, nxpk= 0, iat= 274, 320, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 25 MET QE 55 GLU HA 5.302
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 339, 340, 341,
&end
#
# 56 PRO HB2 57 LEU HA 5.544
&rst
ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 48 ASP HA 52 ALA QB 4.928
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 773, 774, 775,
&end
#
# 83 MET HA 86 LEU HB2 4.906
&rst
ixpk= 0, nxpk= 0, iat=1257,1307, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 67 LEU HA 70 MET HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1009,1063, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 24 ASP HA 27 TYR HB2 4.411
&rst
ixpk= 0, nxpk= 0, iat= 318, 369, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 7 PHE HA 7 PHE QD 4.917
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 80, 88,
&end
#
# 22 ASP HA 25 MET HB3 4.323
&rst
ixpk= 0, nxpk= 0, iat= 286, 333, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 41 ILE HG13 46 LEU HA 5.709
&rst
ixpk= 0, nxpk= 0, iat= 614, 687, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 24 ASP HA 27 TYR HB3 5.126
&rst
ixpk= 0, nxpk= 0, iat= 318, 370, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 25 MET HA 29 ILE QD1 5.368
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 414, 415, 416,
&end
#
# 46 LEU HA 46 LEU HG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 687, 692, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 25 MET HA 25 MET HG2 4.224
&rst
ixpk= 0, nxpk= 0, iat= 330, 335, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 32 LYS HA 35 PRO HD3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 461, 515, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 92 ARG HA 92 ARG HD2 5.511
&rst
ixpk= 0, nxpk= 0, iat=1410,1418, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 39 GLN HA 39 GLN HG3 4.444
&rst
ixpk= 0, nxpk= 0, iat= 568, 574, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 39 GLN HA 39 GLN HG2 4.444
&rst
ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 92 ARG HA 92 ARG HG2 4.378
&rst
ixpk= 0, nxpk= 0, iat=1410,1415, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 92 ARG HA 92 ARG HG3 4.378
&rst
ixpk= 0, nxpk= 0, iat=1410,1416, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 33 PHE HA 35 PRO HD3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 483, 515, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 33 PHE HA 35 PRO HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 483, 521, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 33 PHE HA 45 VAL QG1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 675, 676, 677,
&end
#
# 41 ILE HA 41 ILE QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 609, 610, 611,
&end
#
# 41 ILE HA 41 ILE QD1 4.598
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 616, 617, 618,
&end
#
# 91 LYS HA 91 LYS QD 4.686
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1396,1397,
&end
#
# 91 LYS HA 94 LEU HB2 4.477
&rst
ixpk= 0, nxpk= 0, iat=1388,1452, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 59 ILE QD1 89 PHE HA 5.269
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 894, 895, 896,
&end
#
# 20 GLU HA 20 GLU QG 3.916
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 264, 265,
&end
#
# 82 CYS HA 85 ILE QG2 5.203
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1290,1291,1292,
&end
#
# 80 ILE HA 80 ILE QG2 3.806
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1214,1215,1216,
&end
#
# 74 MET HA 80 ILE HA 4.631
&rst
ixpk= 0, nxpk= 0, iat=1123,1210, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 80 ILE HA 80 ILE HG13 4.103
&rst
ixpk= 0, nxpk= 0, iat=1210,1219, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 80 ILE HA 85 ILE HG12 5.896
&rst
ixpk= 0, nxpk= 0, iat=1210,1294, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 64 GLN HA 68 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1039,1040,1041,
&end
#
# 59 ILE HA 59 ILE HG12 4.598
&rst
ixpk= 0, nxpk= 0, iat= 883, 891, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 27 TYR HA 30 TRP HB2 4.587
&rst
ixpk= 0, nxpk= 0, iat= 367, 424, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 44 SER HA 45 VAL QG1 5.874
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 675, 676, 677,
&end
#
# 44 SER HA 45 VAL QG2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 679, 680, 681,
&end
#
# 87 PHE HA 90 THR QG2 4.884
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1378,1379,1380,
&end
#
# 45 VAL HA 48 ASP HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 671, 720, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 23 PHE HA 26 PHE HB2 4.378
&rst
ixpk= 0, nxpk= 0, iat= 298, 349, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 43 TYR HA 46 LEU HB3 4.587
&rst
ixpk= 0, nxpk= 0, iat= 639, 690, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 26 PHE HA 53 LEU QB 5.148
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 783, 784,
&end
#
# 9 VAL HA 9 VAL QG1 4.389
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 109, 110, 111,
&end
#
# 9 VAL HA 9 VAL QG2 4.389
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 113, 114, 115,
&end
#
# 30 TRP HA 33 PHE HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 422, 485, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 61 LYS HB2 62 PRO HA 4.422
&rst
ixpk= 0, nxpk= 0, iat= 914, 942, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 47 SER QB 50 ALA QB 5.522
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 708, 709,
igr2= 751, 752, 753,
&end
#
# 61 LYS QG 62 PRO HA 4.642
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 917, 918,
&end
#
# 61 LYS HB3 62 PRO HA 4.554
&rst
ixpk= 0, nxpk= 0, iat= 915, 942, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 55 GLU HB2 56 PRO HA 4.213
&rst
ixpk= 0, nxpk= 0, iat= 813, 834, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 MET HG3 54 SER HB3 4.763
&rst
ixpk= 0, nxpk= 0, iat= 336, 803, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 MET HG2 54 SER HB3 5.852
&rst
ixpk= 0, nxpk= 0, iat= 335, 803, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 80 ILE QG2 85 ILE HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1214,1215,1216,
&end
#
# 31 GLU HA 35 PRO HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 446, 523, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 32 LYS HA 35 PRO HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 461, 523, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 38 THR HB 40 PHE QD 4.763
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 591, 599,
&end
#
# 30 TRP HE1 39 GLN H 4.741
&rst
ixpk= 0, nxpk= 0, iat= 430, 566, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 TRP HZ2 39 GLN H 4.697
&rst
ixpk= 0, nxpk= 0, iat= 433, 566, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 19 SER H 20 GLU H 5.137
&rst
ixpk= 0, nxpk= 0, iat= 246, 257, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 28 GLU H 30 TRP H 5.159
&rst
ixpk= 0, nxpk= 0, iat= 386, 420, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 30 TRP H 49 PHE QE 4.488
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 737, 741,
&end
#
# 30 TRP H 49 PHE HZ 5.203
&rst
ixpk= 0, nxpk= 0, iat= 420, 739, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 77 GLY H 78 ASP H 4.059
&rst
ixpk= 0, nxpk= 0, iat=1165,1172, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 30 TRP HZ2 40 PHE H 4.114
&rst
ixpk= 0, nxpk= 0, iat= 433, 583, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 30 TRP HZ2 41 ILE H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 433, 603, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 24 ASP H 26 PHE H 5.247
&rst
ixpk= 0, nxpk= 0, iat= 316, 345, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 42 GLU H 43 TYR H 5.027
&rst
ixpk= 0, nxpk= 0, iat= 622, 637, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 10 ALA H 11 THR H 6.006
&rst
ixpk= 0, nxpk= 0, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 37 ALA H 40 PHE H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 542, 583, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 76 SER H 77 GLY H 4.389
&rst
ixpk= 0, nxpk= 0, iat=1154,1165, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 49 PHE H 49 PHE QD 4.642
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 735, 743,
&end
#
# 95 GLY H 96 GLU H 4.675
&rst
ixpk= 0, nxpk= 0, iat=1467,1474, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 25 MET H 26 PHE H 4.807
&rst
ixpk= 0, nxpk= 0, iat= 328, 345, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 26 PHE H 26 PHE QD 4.664
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 353, 361,
&end
#
# 30 TRP HH2 82 CYS H 5.093
&rst
ixpk= 0, nxpk= 0, iat= 435,1244, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 30 TRP HZ2 82 CYS H 4.675
&rst
ixpk= 0, nxpk= 0, iat= 433,1244, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 81 HIS HD2 82 CYS H 4.928
&rst
ixpk= 0, nxpk= 0, iat=1240,1244, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 88 ALA H 90 THR H 5.214
&rst
ixpk= 0, nxpk= 0, iat=1342,1372, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 31 GLU H 49 PHE QE 5.511
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2= 737, 741,
&end
#
# 66 SER H 68 ILE H 5.841
&rst
ixpk= 0, nxpk= 0, iat= 996,1026, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 66 SER H 69 ASN H 5.885
&rst
ixpk= 0, nxpk= 0, iat= 996,1045, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 33 PHE QD 49 PHE QE 4.642
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 489, 497,
igr2= 737, 741,
&end
#
# 33 PHE QD 49 PHE QD 3.784
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 489, 497,
igr2= 735, 743,
&end
#
# 70 MET H 71 ASP H 4.488
&rst
ixpk= 0, nxpk= 0, iat=1059,1076, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 LYS H 49 PHE QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 737, 741,
&end
#
# 33 PHE H 49 PHE QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 737, 741,
&end
#
# 40 PHE H 40 PHE QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 593, 597,
&end
#
# 40 PHE QE 81 HIS HD2 3.509
&rst
ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 593, 597,
&end
#
# 40 PHE HA 40 PHE QE 5.049
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 593, 597,
&end
#
# 49 PHE QE 89 PHE QD 4.873
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 737, 741,
igr2=1360,1368,
&end
#
# 26 PHE QD 27 TYR QD 4.719
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 353, 361,
igr2= 373, 382,
&end
#
# 33 PHE QE 48 ASP H 5.302
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 491, 495,
&end
#
# 84 ASP H 85 ILE H 3.641
&rst
ixpk= 0, nxpk= 0, iat=1272,1284, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 33 PHE QE 49 PHE QD 4.356
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 491, 495,
igr2= 735, 743,
&end
#
# 49 PHE QE 89 PHE QE 4.906
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 737, 741,
igr2=1362,1366,
&end
#
# 49 PHE QD 89 PHE QE 4.587
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 735, 743,
igr2=1362,1366,
&end
#
# 26 PHE QD 30 TRP HD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 353, 361,
&end
#
# 30 TRP HD1 34 ASP H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 428, 501, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 48 ASP H 51 ASP H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 715, 757, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 49 PHE QD 51 ASP H 5.973
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 735, 743,
&end
#
# 40 PHE H 40 PHE QD 4.191
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 591, 599,
&end
#
# 33 PHE QD 33 PHE HZ 4.433
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 489, 497,
&end
#
# 33 PHE HZ 49 PHE QD 4.774
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 735, 743,
&end
#
# 40 PHE QD 81 HIS HD2 4.752
&rst
ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 591, 599,
&end
#
# 40 PHE HA 40 PHE QD 4.103
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 591, 599,
&end
#
# 43 TYR QD 79 ARG HA 5.533
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 645, 654,
&end
#
# 26 PHE QE 30 TRP HE3 4.334
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 355, 359,
&end
#
# 26 PHE QE 49 PHE HZ 4.191
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 355, 359,
&end
#
# 26 PHE QD 49 PHE HZ 4.697
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 353, 361,
&end
#
# 26 PHE QD 27 TYR QE 5.236
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 353, 361,
igr2= 375, 380,
&end
#
# 26 PHE QD 49 PHE QE 5.478
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 353, 361,
igr2= 737, 741,
&end
#
# 69 ASN HD21 70 MET H 5.533
&rst
ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 26 PHE QE 49 PHE QE 4.323
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 355, 359,
igr2= 737, 741,
&end
#
# 58 ARG H 89 PHE QD 6.05
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1360,1368,
&end
#
# 49 PHE QD 50 ALA H 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 735, 743,
&end
#
# 49 PHE QD 49 PHE HZ 4.422
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 735, 743,
&end
#
# 30 TRP HE3 49 PHE HZ 3.872
&rst
ixpk= 0, nxpk= 0, iat= 439, 739, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 30 TRP HZ3 49 PHE QE 4.675
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 737, 741,
&end
#
# 30 TRP HH2 40 PHE HA 4.631
&rst
ixpk= 0, nxpk= 0, iat= 435, 585, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 30 TRP HZ2 40 PHE HA 4.048
&rst
ixpk= 0, nxpk= 0, iat= 433, 585, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 41 ILE H 79 ARG HA 5.511
&rst
ixpk= 0, nxpk= 0, iat= 603,1186, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 30 TRP HE1 34 ASP HA 5.533
&rst
ixpk= 0, nxpk= 0, iat= 430, 503, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 63 ASN HA 65 ILE H 4.686
&rst
ixpk= 0, nxpk= 0, iat= 948, 977, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 GLU H 56 PRO HA 5.225
&rst
ixpk= 0, nxpk= 0, iat= 809, 834, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 42 GLU HA 44 SER H 4.642
&rst
ixpk= 0, nxpk= 0, iat= 624, 658, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 24 ASP HA 27 TYR H 4.741
&rst
ixpk= 0, nxpk= 0, iat= 318, 365, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 54 SER HA 55 GLU H 3.311
&rst
ixpk= 0, nxpk= 0, iat= 800, 809, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 74 MET HA 75 VAL HA 5.137
&rst
ixpk= 0, nxpk= 0, iat=1123,1140, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 77 GLY H 78 ASP HA 4.972
&rst
ixpk= 0, nxpk= 0, iat=1165,1174, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 27 TYR HA 30 TRP HE3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 367, 439, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 26 PHE QD 27 TYR HA 4.664
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 353, 361,
&end
#
# 27 TYR HA 27 TYR QE 5.126
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 375, 380,
&end
#
# 21 ASP HA 25 MET H 4.884
&rst
ixpk= 0, nxpk= 0, iat= 274, 328, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 9 VAL H 10 ALA HA 6.006
&rst
ixpk= 0, nxpk= 0, iat= 103, 121, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 51 ASP HA 63 ASN HD21 4.928
&rst
ixpk= 0, nxpk= 0, iat= 759, 955, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 36 GLU H 37 ALA HA 5.093
&rst
ixpk= 0, nxpk= 0, iat= 527, 544, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 41 ILE H 81 HIS HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 603,1229, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 30 TRP HZ2 81 HIS HA 5.357
&rst
ixpk= 0, nxpk= 0, iat= 433,1229, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 81 HIS HA 81 HIS HD2 4.466
&rst
ixpk= 0, nxpk= 0, iat=1229,1240, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 5 GLU HA 6 ASN H 3.751
&rst
ixpk= 0, nxpk= 0, iat= 45, 58, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 90 THR H 90 THR HB 4.103
&rst
ixpk= 0, nxpk= 0, iat=1372,1376, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 33 PHE HA 33 PHE QD 4.048
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 489, 497,
&end
#
# 92 ARG HA 95 GLY H 4.378
&rst
ixpk= 0, nxpk= 0, iat=1410,1467, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 47 SER HA 50 ALA H 5.104
&rst
ixpk= 0, nxpk= 0, iat= 706, 747, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 19 SER HB3 21 ASP H 4.928
&rst
ixpk= 0, nxpk= 0, iat= 251, 272, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 45 VAL H 46 LEU HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 669, 687, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 26 PHE HA 49 PHE QE 4.433
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 737, 741,
&end
#
# 46 LEU HA 49 PHE QD 4.257
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 735, 743,
&end
#
# 76 SER HB3 77 GLY H 4.917
&rst
ixpk= 0, nxpk= 0, iat=1159,1165, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 76 SER H 76 SER HB3 4.356
&rst
ixpk= 0, nxpk= 0, iat=1154,1159, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 8 SER H 8 SER QB 4.576
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 96, 97,
&end
#
# 16 GLU H 17 PRO QD 5.005
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 214, 215,
&end
#
# 30 TRP HA 49 PHE QE 3.597
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 737, 741,
&end
#
# 30 TRP HA 49 PHE HZ 4.906
&rst
ixpk= 0, nxpk= 0, iat= 422, 739, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 50 ALA HA 53 LEU H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 749, 779, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 30 TRP HA 33 PHE QD 4.708
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 489, 497,
&end
#
# 30 TRP HA 30 TRP HE3 4.136
&rst
ixpk= 0, nxpk= 0, iat= 422, 439, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 30 TRP HA 49 PHE QD 4.147
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 735, 743,
&end
#
# 49 PHE QD 50 ALA HA 4.708
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 735, 743,
&end
#
# 30 TRP HZ2 39 GLN HA 3.861
&rst
ixpk= 0, nxpk= 0, iat= 433, 568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 87 PHE HB2 88 ALA H 4.455
&rst
ixpk= 0, nxpk= 0, iat=1326,1342, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 30 TRP HZ2 82 CYS HA 4.521
&rst
ixpk= 0, nxpk= 0, iat= 433,1246, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 49 PHE HA 49 PHE QD 3.784
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 735, 743,
&end
#
# 53 LEU H 58 ARG HD3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 779, 868, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 33 PHE QD 48 ASP HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 489, 497,
&end
#
# 71 ASP HB2 72 LEU H 5.401
&rst
ixpk= 0, nxpk= 0, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 69 ASN H 69 ASN HB3 3.938
&rst
ixpk= 0, nxpk= 0, iat=1045,1050, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 61 LYS QE 63 ASN HD22 4.609
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 923, 924,
&end
#
# 61 LYS QE 63 ASN HD21 5.786
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 923, 924,
&end
#
# 25 MET HG3 26 PHE H 5.731
&rst
ixpk= 0, nxpk= 0, iat= 336, 345, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 47 SER H 48 ASP HB2 5.819
&rst
ixpk= 0, nxpk= 0, iat= 704, 719, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 68 ILE H 69 ASN HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat=1026,1049, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 33 PHE HB3 34 ASP HA 5.973
&rst
ixpk= 0, nxpk= 0, iat= 486, 503, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 40 PHE HB3 79 ARG HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 588,1186, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 33 PHE HB3 49 PHE QD 5.687
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 735, 743,
&end
#
# 63 ASN H 63 ASN HB3 4.477
&rst
ixpk= 0, nxpk= 0, iat= 946, 951, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 25 MET H 25 MET HG2 4.983
&rst
ixpk= 0, nxpk= 0, iat= 328, 335, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 48 ASP H 49 PHE HB3 5.918
&rst
ixpk= 0, nxpk= 0, iat= 715, 732, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 33 PHE QD 45 VAL HB 4.389
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 489, 497,
&end
#
# 42 GLU H 45 VAL HB 5.423
&rst
ixpk= 0, nxpk= 0, iat= 622, 673, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 45 VAL HB 48 ASP H 5.038
&rst
ixpk= 0, nxpk= 0, iat= 673, 715, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 51 ASP HB3 63 ASN HD22 4.972
&rst
ixpk= 0, nxpk= 0, iat= 762, 956, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 74 MET HG2 75 VAL H 5.159
&rst
ixpk= 0, nxpk= 0, iat=1128,1138, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 74 MET HA 74 MET HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1123,1128, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 64 GLN QG 65 ILE H 3.971
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 967, 968,
&end
#
# 64 GLN QG 66 SER H 4.598
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 967, 968,
&end
#
# 42 GLU H 42 GLU HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 622, 629, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 39 GLN HB2 81 HIS HD2 4.708
&rst
ixpk= 0, nxpk= 0, iat= 570,1240, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 74 MET HG3 75 VAL H 5.159
&rst
ixpk= 0, nxpk= 0, iat=1129,1138, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 74 MET HA 74 MET HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat=1123,1129, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 25 MET HB2 26 PHE H 5.038
&rst
ixpk= 0, nxpk= 0, iat= 332, 345, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 36 GLU H 36 GLU HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 36 GLU HB2 37 ALA H 4.708
&rst
ixpk= 0, nxpk= 0, iat= 531, 542, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 12 GLU H 12 GLU QG 5.192
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 150, 151,
&end
#
# 33 PHE HB2 49 PHE QD 4.664
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 735, 743,
&end
#
# 22 ASP HB3 23 PHE H 4.279
&rst
ixpk= 0, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 MET QE 26 PHE QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 339, 340, 341,
igr2= 353, 361,
&end
#
# 5 GLU QG 6 ASN H 3.971
&rst
ixpk= 0, nxpk= 0, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 50, 51,
&end
#
# 20 GLU HB2 21 ASP H 4.301
&rst
ixpk= 0, nxpk= 0, iat= 261, 272, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 GLU H 20 GLU HB2 4.136
&rst
ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 30 TRP HE1 34 ASP HB2 4.125
&rst
ixpk= 0, nxpk= 0, iat= 430, 505, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 34 ASP HB2 39 GLN H 5.522
&rst
ixpk= 0, nxpk= 0, iat= 505, 566, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 96 GLU H 96 GLU HB2 4.367
&rst
ixpk= 0, nxpk= 0, iat=1474,1478, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 13 GLU HB2 14 SER H 5.181
&rst
ixpk= 0, nxpk= 0, iat= 162, 173, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 70 MET HB2 71 ASP H 4.884
&rst
ixpk= 0, nxpk= 0, iat=1063,1076, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 32 LYS HB2 33 PHE QD 4.851
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 489, 497,
&end
#
# 29 ILE HB 49 PHE QE 4.488
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 737, 741,
&end
#
# 29 ILE HB 49 PHE QD 5.115
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 735, 743,
&end
#
# 55 GLU H 55 GLU HB2 4.015
&rst
ixpk= 0, nxpk= 0, iat= 809, 813, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 2 PRO QG 3 GLY H 5.082
&rst
ixpk= 0, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 15, 16,
&end
#
# 49 PHE QE 85 ILE HB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 737, 741,
&end
#
# 65 ILE HB 66 SER H 4.114
&rst
ixpk= 0, nxpk= 0, iat= 981, 996, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 30 TRP HZ3 85 ILE HB 5.016
&rst
ixpk= 0, nxpk= 0, iat= 437,1288, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 39 GLN HB3 81 HIS HD2 4.818
&rst
ixpk= 0, nxpk= 0, iat= 571,1240, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 88 ALA QB 91 LYS H 6.006
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1346,1347,1348,
&end
#
# 30 TRP HZ2 39 GLN HB3 5.203
&rst
ixpk= 0, nxpk= 0, iat= 433, 571, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 72 LEU H 72 LEU HB2 4.345
&rst
ixpk= 0, nxpk= 0, iat=1088,1092, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 74 MET H 74 MET QE 5.742
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1132,1133,1134,
&end
#
# 43 TYR QE 74 MET QE 3.894
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 647, 652,
igr2=1132,1133,1134,
&end
#
# 32 LYS HB3 33 PHE QD 4.851
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 489, 497,
&end
#
# 30 TRP HH2 85 ILE HG13 4.807
&rst
ixpk= 0, nxpk= 0, iat= 435,1295, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 30 TRP HZ3 85 ILE HG13 5.06
&rst
ixpk= 0, nxpk= 0, iat= 437,1295, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 30 TRP HZ2 82 CYS HB2 4.939
&rst
ixpk= 0, nxpk= 0, iat= 433,1248, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 30 TRP HE1 34 ASP HB3 4.125
&rst
ixpk= 0, nxpk= 0, iat= 430, 506, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 32 LYS QD 33 PHE QD 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 469, 470,
igr2= 489, 497,
&end
#
# 42 GLU H 79 ARG HG2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 622,1191, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 50 ALA QB 63 ASN HD21 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 751, 752, 753,
&end
#
# 33 PHE QD 52 ALA QB 4.719
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 489, 497,
igr2= 773, 774, 775,
&end
#
# 87 PHE QE 91 LYS QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1332,1336,
igr2=1396,1397,
&end
#
# 49 PHE QD 50 ALA QB 4.554
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 735, 743,
igr2= 751, 752, 753,
&end
#
# 49 PHE QD 52 ALA QB 4.763
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 735, 743,
igr2= 773, 774, 775,
&end
#
# 30 TRP HZ2 82 CYS HB3 4.939
&rst
ixpk= 0, nxpk= 0, iat= 433,1249, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 40 PHE HA 79 ARG QB 5.049
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1188,1189,
&end
#
# 41 ILE H 79 ARG QB 4.609
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1188,1189,
&end
#
# 30 TRP HH2 41 ILE HB 5.214
&rst
ixpk= 0, nxpk= 0, iat= 435, 607, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 30 TRP HZ2 41 ILE HB 6.05
&rst
ixpk= 0, nxpk= 0, iat= 433, 607, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 43 TYR QE 67 LEU HB3 5.115
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 647, 652,
&end
#
# 61 LYS QG 64 GLN H 5.214
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 917, 918,
&end
#
# 61 LYS QG 63 ASN HD22 5.115
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 917, 918,
&end
#
# 49 PHE QE 53 LEU HG 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 737, 741,
&end
#
# 53 LEU QB 58 ARG H 4.972
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 783, 784,
&end
#
# 49 PHE QD 53 LEU HG 5.005
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 735, 743,
&end
#
# 46 LEU HB3 47 SER H 4.422
&rst
ixpk= 0, nxpk= 0, iat= 690, 704, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 65 ILE H 65 ILE HG13 4.444
&rst
ixpk= 0, nxpk= 0, iat= 977, 988, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 18 LEU H 18 LEU HB3 4.444
&rst
ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 43 TYR QE 80 ILE QG2 4.807
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 647, 652,
igr2=1214,1215,1216,
&end
#
# 74 MET HA 80 ILE QG2 4.983
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1214,1215,1216,
&end
#
# 58 ARG H 58 ARG HB2 4.246
&rst
ixpk= 0, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 42 GLU H 45 VAL QG2 4.114
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 679, 680, 681,
&end
#
# 74 MET HA 80 ILE HG12 4.928
&rst
ixpk= 0, nxpk= 0, iat=1123,1218, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 54 SER H 58 ARG HB3 5.621
&rst
ixpk= 0, nxpk= 0, iat= 798, 862, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 45 VAL QG2 49 PHE QD 5.786
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1= 679, 680, 681,
igr2= 735, 743,
&end
#
# 30 TRP HH2 41 ILE HG13 4.84
&rst
ixpk= 0, nxpk= 0, iat= 435, 614, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 46 LEU QD1 49 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 694, 695, 696,
igr2= 735, 743,
&end
#
# 43 TYR QE 80 ILE QD1 4.642
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 647, 652,
igr2=1221,1222,1223,
&end
#
# 90 THR H 93 VAL QG2 6.05
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1442,1443,1444,
&end
#
# 9 VAL QG1 10 ALA H 5.522
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 109, 110, 111,
&end
#
# 9 VAL QG2 10 ALA H 5.522
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 113, 114, 115,
&end
#
# 30 TRP HH2 41 ILE HG12 4.334
&rst
ixpk= 0, nxpk= 0, iat= 435, 613, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 30 TRP HZ2 41 ILE HG12 4.774
&rst
ixpk= 0, nxpk= 0, iat= 433, 613, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 68 ILE H 68 ILE QD1 5.126
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1039,1040,1041,
&end
#
# 94 LEU H 94 LEU QQD 3.718
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 29 ILE QG2 49 PHE QE 3.773
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 407, 408, 409,
igr2= 737, 741,
&end
#
# 29 ILE QG2 49 PHE QD 3.795
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 407, 408, 409,
igr2= 735, 743,
&end
#
# 74 MET HA 75 VAL QG2 4.389
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1148,1149,1150,
&end
#
# 49 PHE HZ 53 LEU QD1 4.422
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 788, 789, 790,
&end
#
# 49 PHE QE 53 LEU QD1 4.103
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 737, 741,
igr2= 788, 789, 790,
&end
#
# 49 PHE QD 53 LEU QD1 4.499
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 735, 743,
igr2= 788, 789, 790,
&end
#
# 85 ILE QD1 86 LEU H 5.214
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1297,1298,1299,
&end
#
# 30 TRP HZ2 85 ILE QD1 5.247
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1297,1298,1299,
&end
#
# 67 LEU H 67 LEU QD2 4.422
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1020,1021,1022,
&end
#
# 49 PHE QD 53 LEU QD2 4.796
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 735, 743,
igr2= 792, 793, 794,
&end
#
# 29 ILE H 53 LEU QD2 4.466
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 792, 793, 794,
&end
#
# 27 TYR QE 86 LEU QD1 5.698
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 375, 380,
igr2=1312,1313,1314,
&end
#
# 26 PHE QE 85 ILE QG2 4.818
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 355, 359,
igr2=1290,1291,1292,
&end
#
# 26 PHE QD 85 ILE QG2 5.533
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 353, 361,
igr2=1290,1291,1292,
&end
#
# 49 PHE QE 85 ILE QG2 3.773
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 737, 741,
igr2=1290,1291,1292,
&end
#
# 49 PHE QD 85 ILE QG2 4.422
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 735, 743,
igr2=1290,1291,1292,
&end
#
# 33 PHE QD 41 ILE QG2 4.862
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 489, 497,
igr2= 609, 610, 611,
&end
#
# 30 TRP HH2 41 ILE QG2 4.081
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 609, 610, 611,
&end
#
# 30 TRP HZ2 41 ILE QG2 4.125
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 609, 610, 611,
&end
#
# 41 ILE QG2 49 PHE QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 609, 610, 611,
igr2= 735, 743,
&end
#
# 30 TRP HZ3 41 ILE QG2 4.477
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 609, 610, 611,
&end
#
# 40 PHE HA 41 ILE QG2 5.148
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 609, 610, 611,
&end
#
# 41 ILE QD1 49 PHE H 5.379
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 616, 617, 618,
&end
#
# 41 ILE QD1 49 PHE QE 5.115
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 616, 617, 618,
igr2= 737, 741,
&end
#
# 30 TRP HE3 41 ILE QD1 5.291
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 616, 617, 618,
&end
#
# 30 TRP HH2 41 ILE QD1 5.456
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 616, 617, 618,
&end
#
# 41 ILE QD1 49 PHE QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 616, 617, 618,
igr2= 735, 743,
&end
#
# 30 TRP HZ3 41 ILE QD1 4.543
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 616, 617, 618,
&end
#
# 27 TYR QE 86 LEU QD2 5.698
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 375, 380,
igr2=1316,1317,1318,
&end
#
# 86 LEU H 86 LEU QD2 4.785
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1316,1317,1318,
&end
#
# 30 TRP HE1 39 GLN HA 4.356
&rst
ixpk= 0, nxpk= 0, iat= 430, 568, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 38 THR HB 39 GLN H 5.093
&rst
ixpk= 0, nxpk= 0, iat= 556, 566, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 37 ALA QB 39 GLN H 4.895
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 546, 547, 548,
&end
#
# 38 THR QG2 39 GLN H 4.466
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 558, 559, 560,
&end
#
# 81 HIS H 81 HIS HB3 4.433
&rst
ixpk= 0, nxpk= 0, iat=1227,1232, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 37 ALA QB 38 THR H 4.103
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 546, 547, 548,
&end
#
# 70 MET QE 89 PHE H 5.544
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1070,1071,1072,
&end
#
# 18 LEU QD2 19 SER H 4.917
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 240, 241, 242,
&end
#
# 79 ARG HG3 80 ILE H 5.148
&rst
ixpk= 0, nxpk= 0, iat=1192,1208, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 80 ILE H 80 ILE QG2 4.829
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1214,1215,1216,
&end
#
# 30 TRP H 53 LEU QD2 5.038
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 792, 793, 794,
&end
#
# 75 VAL H 75 VAL QG1 3.839
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1144,1145,1146,
&end
#
# 75 VAL H 75 VAL QG2 3.465
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1148,1149,1150,
&end
#
# 36 GLU H 37 ALA QB 5.016
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 546, 547, 548,
&end
#
# 36 GLU H 38 THR QG2 4.829
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 558, 559, 560,
&end
#
# 72 LEU H 72 LEU QD1 4.103
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1097,1098,1099,
&end
#
# 72 LEU H 72 LEU QD2 4.103
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1101,1102,1103,
&end
#
# 85 ILE HG12 86 LEU H 5.654
&rst
ixpk= 0, nxpk= 0, iat=1294,1303, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 86 LEU H 86 LEU HG 4.851
&rst
ixpk= 0, nxpk= 0, iat=1303,1310, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 75 VAL QG2 77 GLY H 5.324
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1148,1149,1150,
&end
#
# 41 ILE H 80 ILE QD1 5.214
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1221,1222,1223,
&end
#
# 59 ILE HB 60 ALA H 5.027
&rst
ixpk= 0, nxpk= 0, iat= 885, 900, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 38 THR QG2 40 PHE H 5.115
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 558, 559, 560,
&end
#
# 44 SER HA 47 SER H 5.269
&rst
ixpk= 0, nxpk= 0, iat= 660, 704, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 65 ILE HA 68 ILE H 4.389
&rst
ixpk= 0, nxpk= 0, iat= 979,1026, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 68 ILE H 68 ILE QG2 4.224
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1032,1033,1034,
&end
#
# 42 GLU H 80 ILE QD1 5.203
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1221,1222,1223,
&end
#
# 87 PHE HA 90 THR H 5.192
&rst
ixpk= 0, nxpk= 0, iat=1324,1372, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 37 ALA H 37 ALA QB 3.322
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 546, 547, 548,
&end
#
# 37 ALA H 38 THR QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 558, 559, 560,
&end
#
# 86 LEU HA 90 THR H 5.665
&rst
ixpk= 0, nxpk= 0, iat=1305,1372, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 75 VAL QG1 76 SER H 4.444
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1144,1145,1146,
&end
#
# 75 VAL QG2 76 SER H 4.114
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1148,1149,1150,
&end
#
# 76 SER H 79 ARG QB 5.192
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1188,1189,
&end
#
# 19 SER HB2 21 ASP H 4.928
&rst
ixpk= 0, nxpk= 0, iat= 250, 272, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 61 LYS HA 63 ASN H 5.027
&rst
ixpk= 0, nxpk= 0, iat= 912, 946, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 9 VAL H 9 VAL QG1 4.983
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 109, 110, 111,
&end
#
# 9 VAL H 9 VAL QG2 4.983
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 113, 114, 115,
&end
#
# 54 SER H 58 ARG HB2 5.621
&rst
ixpk= 0, nxpk= 0, iat= 798, 861, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 47 SER HA 63 ASN HD21 5.247
&rst
ixpk= 0, nxpk= 0, iat= 706, 955, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 8 SER QB 9 VAL H 3.927
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 96, 97,
&end
#
# 59 ILE HB 63 ASN HD21 4.752
&rst
ixpk= 0, nxpk= 0, iat= 885, 955, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 70 MET HA 71 ASP H 3.905
&rst
ixpk= 0, nxpk= 0, iat=1061,1076, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 93 VAL QG2 94 LEU H 4.268
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1442,1443,1444,
&end
#
# 93 VAL QG1 94 LEU H 4.048
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1438,1439,1440,
&end
#
# 23 PHE HA 25 MET H 5.214
&rst
ixpk= 0, nxpk= 0, iat= 298, 328, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 20 GLU HA 22 ASP H 5.643
&rst
ixpk= 0, nxpk= 0, iat= 259, 284, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 43 TYR HA 46 LEU H 4.532
&rst
ixpk= 0, nxpk= 0, iat= 639, 685, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 66 SER HB3 67 LEU H 4.664
&rst
ixpk= 0, nxpk= 0, iat=1001,1007, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 59 ILE QG2 67 LEU H 5.159
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 887, 888, 889,
&end
#
# 56 PRO QD 57 LEU H 5.159
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 825, 826,
&end
#
# 57 LEU H 89 PHE HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 838,1357, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 59 ILE QG2 63 ASN HD22 5.588
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 887, 888, 889,
&end
#
# 47 SER HA 63 ASN HD22 4.444
&rst
ixpk= 0, nxpk= 0, iat= 706, 956, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 66 SER H 66 SER HB3 4.433
&rst
ixpk= 0, nxpk= 0, iat= 996,1001, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 64 GLN HA 66 SER H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 962, 996, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 68 ILE QG2 69 ASN HD22 5.665
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1032,1033,1034,
&end
#
# 45 VAL H 45 VAL QG2 3.223
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 679, 680, 681,
&end
#
# 29 ILE QG2 33 PHE QD 3.806
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 407, 408, 409,
igr2= 489, 497,
&end
#
# 70 MET H 71 ASP HA 5.599
&rst
ixpk= 0, nxpk= 0, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 81 HIS HB3 85 ILE H 4.917
&rst
ixpk= 0, nxpk= 0, iat=1232,1284, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 67 LEU HA 70 MET H 4.532
&rst
ixpk= 0, nxpk= 0, iat=1009,1059, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 68 ILE QG2 70 MET H 5.522
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1032,1033,1034,
&end
#
# 29 ILE QG2 52 ALA H 6.017
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 407, 408, 409,
&end
#
# 40 PHE QE 81 HIS HA 4.587
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 593, 597,
&end
#
# 40 PHE QE 81 HIS HB3 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 593, 597,
&end
#
# 40 PHE QE 81 HIS HB2 4.158
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 593, 597,
&end
#
# 40 PHE QE 75 VAL QG1 3.619
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 593, 597,
igr2=1144,1145,1146,
&end
#
# 52 ALA H 53 LEU QD1 3.806
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 788, 789, 790,
&end
#
# 49 PHE HB2 52 ALA H 5.841
&rst
ixpk= 0, nxpk= 0, iat= 731, 769, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 92 ARG H 92 ARG HG3 4.763
&rst
ixpk= 0, nxpk= 0, iat=1408,1416, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 90 THR HA 92 ARG H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1374,1408, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 89 PHE HA 89 PHE QD 3.861
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1360,1368,
&end
#
# 88 ALA QB 89 PHE QD 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1346,1347,1348,
igr2=1360,1368,
&end
#
# 70 MET QE 89 PHE QD 3.773
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1070,1071,1072,
igr2=1360,1368,
&end
#
# 92 ARG H 92 ARG HG2 4.763
&rst
ixpk= 0, nxpk= 0, iat=1408,1415, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 53 LEU QD1 89 PHE QD 4.048
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 788, 789, 790,
igr2=1360,1368,
&end
#
# 85 ILE QG2 89 PHE QD 4.719
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1290,1291,1292,
igr2=1360,1368,
&end
#
# 27 TYR HA 27 TYR QD 4.356
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 373, 382,
&end
#
# 87 PHE HA 87 PHE QD 3.795
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1330,1338,
&end
#
# 83 MET QE 87 PHE QD 4.796
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1266,1267,1268,
igr2=1330,1338,
&end
#
# 87 PHE QD 88 ALA HA 4.807
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1330,1338,
&end
#
# 33 PHE QE 49 PHE HA 4.345
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 491, 495,
&end
#
# 40 PHE HZ 75 VAL QG1 5.159
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1144,1145,1146,
&end
#
# 29 ILE HA 33 PHE QE 5.5
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 491, 495,
&end
#
# 33 PHE QE 48 ASP HB2 4.334
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 491, 495,
&end
#
# 33 PHE QE 45 VAL HB 4.873
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 491, 495,
&end
#
# 29 ILE QG2 33 PHE QE 3.564
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 407, 408, 409,
igr2= 491, 495,
&end
#
# 33 PHE QE 48 ASP HB3 4.543
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 491, 495,
&end
#
# 81 HIS HB3 84 ASP H 5.071
&rst
ixpk= 0, nxpk= 0, iat=1232,1272, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 32 LYS QD 33 PHE QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 469, 470,
igr2= 491, 495,
&end
#
# 29 ILE QD1 33 PHE QE 5.742
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 414, 415, 416,
igr2= 491, 495,
&end
#
# 33 PHE QE 48 ASP HA 5.181
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 491, 495,
&end
#
# 85 ILE HA 89 PHE QE 5.72
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1362,1366,
&end
#
# 89 PHE HA 89 PHE QE 5.181
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1362,1366,
&end
#
# 50 ALA HA 89 PHE QE 4.147
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1362,1366,
&end
#
# 46 LEU QD2 89 PHE QE 5.357
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 698, 699, 700,
igr2=1362,1366,
&end
#
# 53 LEU QD1 89 PHE QE 3.949
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 788, 789, 790,
igr2=1362,1366,
&end
#
# 85 ILE QG2 89 PHE QE 4.521
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1290,1291,1292,
igr2=1362,1366,
&end
#
# 88 ALA QB 89 PHE QE 5.005
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1346,1347,1348,
igr2=1362,1366,
&end
#
# 70 MET QE 89 PHE QE 4.268
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1070,1071,1072,
igr2=1362,1366,
&end
#
# 72 LEU QD1 89 PHE QE 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1=1097,1098,1099,
igr2=1362,1366,
&end
#
# 48 ASP HA 51 ASP H 4.972
&rst
ixpk= 0, nxpk= 0, iat= 717, 757, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 51 ASP H 52 ALA HA 5.412
&rst
ixpk= 0, nxpk= 0, iat= 757, 771, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 51 ASP H 52 ALA QB 4.906
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 773, 774, 775,
&end
#
# 53 LEU QB 59 ILE H 5.225
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 783, 784,
&end
#
# 59 ILE H 59 ILE HG12 5.555
&rst
ixpk= 0, nxpk= 0, iat= 881, 891, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 59 ILE H 59 ILE QG2 4.609
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 887, 888, 889,
&end
#
# 58 ARG HE 60 ALA HA 4.664
&rst
ixpk= 0, nxpk= 0, iat= 870, 902, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 51 ASP HA 59 ILE H 4.378
&rst
ixpk= 0, nxpk= 0, iat= 759, 881, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 30 TRP HD1 31 GLU HA 4.268
&rst
ixpk= 0, nxpk= 0, iat= 428, 446, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 58 ARG HE 60 ALA QB 4.466
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 904, 905, 906,
&end
#
# 20 GLU HA 23 PHE QR 3.883
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 306, 310, 304, 312,
&end
#
# 58 ARG QG 58 ARG HE 4.136
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 864, 865,
&end
#
# 50 ALA QB 51 ASP H 3.465
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 751, 752, 753,
&end
#
# 23 PHE HA 23 PHE QR 4.004
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 306, 310, 304, 312,
&end
#
# 90 THR HA 93 VAL H 4.169
&rst
ixpk= 0, nxpk= 0, iat=1374,1432, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 92 ARG HB2 93 VAL H 4.818
&rst
ixpk= 0, nxpk= 0, iat=1412,1432, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 93 VAL H 93 VAL QG1 4.257
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1438,1439,1440,
&end
#
# 43 TYR QD 80 ILE QD1 3.564
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 645, 654,
igr2=1221,1222,1223,
&end
#
# 43 TYR QD 44 SER HA 5.115
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 645, 654,
&end
#
# 43 TYR HA 43 TYR QD 3.806
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 645, 654,
&end
#
# 43 TYR QD 74 MET QE 3.773
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 645, 654,
igr2=1132,1133,1134,
&end
#
# 40 PHE QD 75 VAL QG1 3.663
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 591, 599,
igr2=1144,1145,1146,
&end
#
# 40 PHE QD 81 HIS HA 4.125
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 591, 599,
&end
#
# 33 PHE HZ 49 PHE HA 4.356
&rst
ixpk= 0, nxpk= 0, iat= 493, 729, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 33 PHE HZ 48 ASP HB3 4.554
&rst
ixpk= 0, nxpk= 0, iat= 493, 720, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 40 PHE QD 81 HIS HB2 4.862
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 591, 599,
&end
#
# 43 TYR QD 80 ILE HG13 5.203
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 645, 654,
&end
#
# 33 PHE HZ 52 ALA QB 4.367
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 773, 774, 775,
&end
#
# 38 THR QG2 40 PHE QD 4.532
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 558, 559, 560,
igr2= 591, 599,
&end
#
# 40 PHE QD 80 ILE QG2 5.951
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 591, 599,
igr2=1214,1215,1216,
&end
#
# 43 TYR QD 80 ILE QG2 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 645, 654,
igr2=1214,1215,1216,
&end
#
# 26 PHE QE 86 LEU HG 5.698
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 355, 359,
&end
#
# 40 PHE QD 75 VAL QG2 3.949
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 591, 599,
igr2=1148,1149,1150,
&end
#
# 26 PHE QE 86 LEU HA 4.334
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 355, 359,
&end
#
# 26 PHE QE 53 LEU QD2 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 355, 359,
igr2= 792, 793, 794,
&end
#
# 26 PHE QD 27 TYR HB2 5.203
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 353, 361,
&end
#
# 26 PHE QD 86 LEU HG 5.786
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 353, 361,
&end
#
# 23 PHE HA 26 PHE QD 5.874
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 353, 361,
&end
#
# 26 PHE HA 26 PHE QD 4.147
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 353, 361,
&end
#
# 26 PHE QD 57 LEU QD1 5.313
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 353, 361,
igr2= 847, 848, 849,
&end
#
# 26 PHE QD 53 LEU QD2 3.828
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 353, 361,
igr2= 792, 793, 794,
&end
#
# 68 ILE QG2 69 ASN HD21 5.357
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1032,1033,1034,
&end
#
# 66 SER HA 69 ASN HD21 4.818
&rst
ixpk= 0, nxpk= 0, iat= 998,1054, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 65 ILE QD1 69 ASN HD21 5.643
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 990, 991, 992,
&end
#
# 37 ALA QB 39 GLN HE21 4.675
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 546, 547, 548,
&end
#
# 23 PHE QB 27 TYR QE 4.697
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 300, 301,
igr2= 375, 380,
&end
#
# 43 TYR HA 43 TYR QE 5.819
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 647, 652,
&end
#
# 43 TYR QE 68 ILE HA 5.181
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 647, 652,
&end
#
# 49 PHE QE 53 LEU QD2 4.136
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 737, 741,
igr2= 792, 793, 794,
&end
#
# 49 PHE QE 50 ALA QB 5.643
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 737, 741,
igr2= 751, 752, 753,
&end
#
# 49 PHE QE 52 ALA QB 5.962
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1= 737, 741,
igr2= 773, 774, 775,
&end
#
# 58 ARG H 58 ARG QG 5.093
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 864, 865,
&end
#
# 30 TRP HE3 85 ILE QG2 4.906
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1290,1291,1292,
&end
#
# 30 TRP HH2 82 CYS HA 4.268
&rst
ixpk= 0, nxpk= 0, iat= 435,1246, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 TRP HH2 85 ILE QD1 4.015
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1297,1298,1299,
&end
#
# 46 LEU QD2 49 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 698, 699, 700,
igr2= 735, 743,
&end
#
# 53 LEU H 58 ARG HA 4.345
&rst
ixpk= 0, nxpk= 0, iat= 779, 859, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 29 ILE QG2 53 LEU H 4.609
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 407, 408, 409,
&end
#
# 49 PHE HZ 53 LEU QD2 3.674
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 792, 793, 794,
&end
#
# 49 PHE HZ 85 ILE QG2 4.829
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1290,1291,1292,
&end
#
# 30 TRP HZ3 82 CYS HA 4.499
&rst
ixpk= 0, nxpk= 0, iat= 437,1246, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TRP HZ3 85 ILE QD1 3.762
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1297,1298,1299,
&end
#
# 30 TRP HZ3 85 ILE QG2 4.4
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1290,1291,1292,
&end
#
# 30 TRP HZ3 41 ILE HG12 4.466
&rst
ixpk= 0, nxpk= 0, iat= 437, 613, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 40 PHE HA 81 HIS HA 4.103
&rst
ixpk= 0, nxpk= 0, iat= 585,1229, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 73 PRO HA 74 MET HA 4.994
&rst
ixpk= 0, nxpk= 0, iat=1117,1123, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 74 MET HA 75 VAL QG1 4.103
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1144,1145,1146,
&end
#
# 41 ILE HG12 79 ARG HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 613,1186, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 79 ARG HA 80 ILE HG13 5.082
&rst
ixpk= 0, nxpk= 0, iat=1186,1219, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 79 ARG HA 79 ARG HG2 4.565
&rst
ixpk= 0, nxpk= 0, iat=1186,1191, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 79 ARG HA 79 ARG HG3 4.4
&rst
ixpk= 0, nxpk= 0, iat=1186,1192, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 79 ARG HA 80 ILE HG12 5.918
&rst
ixpk= 0, nxpk= 0, iat=1186,1218, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 79 ARG HA 80 ILE QD1 4.972
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1221,1222,1223,
&end
#
# 75 VAL QG2 79 ARG HA 5.203
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1148,1149,1150,
&end
#
# 34 ASP HA 35 PRO HD2 3.564
&rst
ixpk= 0, nxpk= 0, iat= 503, 514, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 34 ASP HA 35 PRO HD3 3.817
&rst
ixpk= 0, nxpk= 0, iat= 503, 515, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 61 LYS HA 63 ASN HA 4.994
&rst
ixpk= 0, nxpk= 0, iat= 912, 948, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 63 ASN HA 66 SER HB3 5.159
&rst
ixpk= 0, nxpk= 0, iat= 948,1001, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 59 ILE QG2 63 ASN HA 3.894
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 887, 888, 889,
&end
#
# 55 GLU HA 56 PRO HA 3.41
&rst
ixpk= 0, nxpk= 0, iat= 811, 834, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 55 GLU HB3 56 PRO HA 4.213
&rst
ixpk= 0, nxpk= 0, iat= 814, 834, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 56 PRO HA 93 VAL QG1 6.028
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2=1438,1439,1440,
&end
#
# 56 PRO HA 93 VAL QG2 5.115
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1442,1443,1444,
&end
#
# 80 ILE HA 81 HIS HB3 5.434
&rst
ixpk= 0, nxpk= 0, iat=1210,1232, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 75 VAL QG1 80 ILE HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1144,1145,1146,
&end
#
# 75 VAL QG2 80 ILE HA 4.543
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1148,1149,1150,
&end
#
# 44 SER HA 45 VAL HA 5.368
&rst
ixpk= 0, nxpk= 0, iat= 660, 671, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 45 VAL HA 46 LEU HA 5.984
&rst
ixpk= 0, nxpk= 0, iat= 671, 687, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 45 VAL HA 47 SER QB 6.05
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 708, 709,
&end
#
# 45 VAL HA 45 VAL QG1 3.355
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 675, 676, 677,
&end
#
# 44 SER QB 45 VAL HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 662, 663,
&end
#
# 84 ASP HA 87 PHE HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat=1274,1327, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 81 HIS HB3 84 ASP HA 6.028
&rst
ixpk= 0, nxpk= 0, iat=1232,1274, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 84 ASP HA 87 PHE HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1274,1326, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 41 ILE HG12 42 GLU HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 613, 624, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 42 GLU HA 43 TYR HA 4.862
&rst
ixpk= 0, nxpk= 0, iat= 624, 639, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 42 GLU HA 79 ARG HG2 5.005
&rst
ixpk= 0, nxpk= 0, iat= 624,1191, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 15 THR HB 16 GLU HA 5.797
&rst
ixpk= 0, nxpk= 0, iat= 188, 200, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 69 ASN HA 70 MET HA 6.05
&rst
ixpk= 0, nxpk= 0, iat=1047,1061, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 16 GLU HA 94 LEU QQD 5.951
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 65 ILE QG2 69 ASN HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 983, 984, 985,
&end
#
# 75 VAL HA 76 SER HA 5.214
&rst
ixpk= 0, nxpk= 0, iat=1140,1156, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 53 LEU HA 54 SER HA 4.917
&rst
ixpk= 0, nxpk= 0, iat= 781, 800, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 75 VAL HA 75 VAL QG1 3.146
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1144,1145,1146,
&end
#
# 75 VAL HA 75 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1148,1149,1150,
&end
#
# 18 LEU HA 18 LEU QD1 4.444
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 236, 237, 238,
&end
#
# 74 MET QB 75 VAL HA 4.928
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1125,1126,
&end
#
# 41 ILE HA 41 ILE HG13 4.499
&rst
ixpk= 0, nxpk= 0, iat= 605, 614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 LYS HA 62 PRO HA 3.696
&rst
ixpk= 0, nxpk= 0, iat= 912, 942, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 41 ILE HA 45 VAL QG2 4.334
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 679, 680, 681,
&end
#
# 38 THR HA 38 THR HB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 554, 556, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 27 TYR HA 30 TRP HB3 4.587
&rst
ixpk= 0, nxpk= 0, iat= 367, 425, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 38 THR HB 40 PHE HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 556, 587, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 4 SER HA 5 GLU HA 5.104
&rst
ixpk= 0, nxpk= 0, iat= 34, 45, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 70 MET HA 71 ASP HA 5.962
&rst
ixpk= 0, nxpk= 0, iat=1061,1078, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 72 LEU HA 73 PRO HD3 3.487
&rst
ixpk= 0, nxpk= 0, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 72 LEU HA 73 PRO HD2 3.784
&rst
ixpk= 0, nxpk= 0, iat=1090,1108, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 72 LEU HA 73 PRO HG3 5.071
&rst
ixpk= 0, nxpk= 0, iat=1090,1112, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 72 LEU HA 72 LEU HG 4.301
&rst
ixpk= 0, nxpk= 0, iat=1090,1095, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 36 GLU HA 37 ALA QB 4.686
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 546, 547, 548,
&end
#
# 72 LEU HA 72 LEU QD1 4.598
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1097,1098,1099,
&end
#
# 89 PHE HA 93 VAL QG2 5.181
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1442,1443,1444,
&end
#
# 72 LEU HA 72 LEU QD2 4.598
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1101,1102,1103,
&end
#
# 22 ASP HA 57 LEU QD1 5.863
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 847, 848, 849,
&end
#
# 17 PRO HA 93 VAL QG1 4.774
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1438,1439,1440,
&end
#
# 67 LEU HA 70 MET QE 4.048
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1070,1071,1072,
&end
#
# 37 ALA HA 38 THR QG2 5.181
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 558, 559, 560,
&end
#
# 67 LEU HA 67 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1016,1017,1018,
&end
#
# 38 THR HA 39 GLN HA 5.753
&rst
ixpk= 0, nxpk= 0, iat= 554, 568, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 87 PHE HA 91 LYS QD 6.05
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1396,1397,
&end
#
# 27 TYR HA 28 GLU HA 5.368
&rst
ixpk= 0, nxpk= 0, iat= 367, 388, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 20 GLU HA 21 ASP HA 5.676
&rst
ixpk= 0, nxpk= 0, iat= 259, 274, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 87 PHE HA 88 ALA HA 5.533
&rst
ixpk= 0, nxpk= 0, iat=1324,1344, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 28 GLU HA 29 ILE QD1 5.456
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 414, 415, 416,
&end
#
# 18 LEU QD2 90 THR HB 5.071
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 240, 241, 242,
&end
#
# 17 PRO HG3 94 LEU HA 4.4
&rst
ixpk= 0, nxpk= 0, iat= 218,1450, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 83 MET HA 86 LEU HG 6.05
&rst
ixpk= 0, nxpk= 0, iat=1257,1310, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 86 LEU HG 90 THR HB 6.05
&rst
ixpk= 0, nxpk= 0, iat=1310,1376, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 33 PHE HA 45 VAL QG2 5.841
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 679, 680, 681,
&end
#
# 59 ILE HA 59 ILE QG2 3.421
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 887, 888, 889,
&end
#
# 57 LEU HA 89 PHE HB3 3.421
&rst
ixpk= 0, nxpk= 0, iat= 840,1357, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 57 LEU HA 89 PHE HB2 5.346
&rst
ixpk= 0, nxpk= 0, iat= 840,1356, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 57 LEU HA 57 LEU HG 4.433
&rst
ixpk= 0, nxpk= 0, iat= 840, 845, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 29 ILE HG13 53 LEU HA 4.664
&rst
ixpk= 0, nxpk= 0, iat= 412, 781, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 44 SER QB 45 VAL QG1 4.576
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 662, 663,
igr2= 675, 676, 677,
&end
#
# 72 LEU QD1 73 PRO HD3 5.951
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=1097,1098,1099,
&end
#
# 57 LEU HA 57 LEU QD2 4.378
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 851, 852, 853,
&end
#
# 53 LEU HA 53 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 792, 793, 794,
&end
#
# 44 SER HA 44 SER QB 3.322
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 662, 663,
&end
#
# 43 TYR HA 80 ILE QD1 3.564
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1221,1222,1223,
&end
#
# 47 SER HA 67 LEU QD1 5.236
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1016,1017,1018,
&end
#
# 61 LYS HA 62 PRO QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 933, 934,
&end
#
# 26 PHE HA 53 LEU QD2 3.476
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 792, 793, 794,
&end
#
# 29 ILE HA 29 ILE HG12 4.62
&rst
ixpk= 0, nxpk= 0, iat= 403, 411, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 68 ILE HA 68 ILE HG12 3.982
&rst
ixpk= 0, nxpk= 0, iat=1028,1036, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 29 ILE HA 29 ILE QD1 3.289
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 414, 415, 416,
&end
#
# 45 VAL QG2 46 LEU HA 5.181
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 679, 680, 681,
&end
#
# 46 LEU HA 49 PHE HA 5.83
&rst
ixpk= 0, nxpk= 0, iat= 687, 729, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 46 LEU HA 50 ALA QB 4.796
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 751, 752, 753,
&end
#
# 46 LEU HA 46 LEU QD2 4.697
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 698, 699, 700,
&end
#
# 90 THR HA 90 THR QG2 3.344
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1378,1379,1380,
&end
#
# 18 LEU QD1 90 THR HA 4.609
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 236, 237, 238,
&end
#
# 16 GLU HB3 17 PRO QD 4.444
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 214, 215,
&end
#
# 93 VAL HA 93 VAL QG2 3.322
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1442,1443,1444,
&end
#
# 65 ILE HA 68 ILE QG2 4.378
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1032,1033,1034,
&end
#
# 59 ILE QG2 66 SER HB2 4.092
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 887, 888, 889,
&end
#
# 63 ASN HB3 66 SER HB2 4.928
&rst
ixpk= 0, nxpk= 0, iat= 951,1000, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 59 ILE QG2 66 SER HB3 4.092
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 887, 888, 889,
&end
#
# 63 ASN HB3 66 SER HB3 4.928
&rst
ixpk= 0, nxpk= 0, iat= 951,1001, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 61 LYS HB3 62 PRO QD 4.477
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 933, 934,
&end
#
# 72 LEU QD1 85 ILE HA 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1097,1098,1099,
&end
#
# 57 LEU HG 89 PHE HB3 5.797
&rst
ixpk= 0, nxpk= 0, iat= 845,1357, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 86 LEU HA 86 LEU HG 4.631
&rst
ixpk= 0, nxpk= 0, iat=1305,1310, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 86 LEU HA 86 LEU QD1 4.422
&rst
ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1312,1313,1314,
&end
#
# 43 TYR HB2 80 ILE QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1221,1222,1223,
&end
#
# 82 CYS HA 85 ILE QD1 4.136
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1297,1298,1299,
&end
#
# 49 PHE HA 52 ALA QB 3.839
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 773, 774, 775,
&end
#
# 43 TYR HB3 80 ILE QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1221,1222,1223,
&end
#
# 67 LEU HA 70 MET HG3 4.587
&rst
ixpk= 0, nxpk= 0, iat=1009,1067, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 70 MET HA 70 MET HG3 4.169
&rst
ixpk= 0, nxpk= 0, iat=1061,1067, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 59 ILE HG12 70 MET HG3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 891,1067, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 75 VAL QG1 81 HIS HB3 5.049
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1144,1145,1146,
&end
#
# 57 LEU QD2 89 PHE HB2 4.884
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 851, 852, 853,
&end
#
# 69 ASN HB3 70 MET HA 4.752
&rst
ixpk= 0, nxpk= 0, iat=1050,1061, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 80 ILE QG2 84 ASP HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1214,1215,1216,
&end
#
# 75 VAL QG1 81 HIS HB2 4.653
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1144,1145,1146,
&end
#
# 29 ILE QG2 32 LYS QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 407, 408, 409,
igr2= 472, 473,
&end
#
# 29 ILE QD1 32 LYS QE 4.103
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 414, 415, 416,
igr2= 472, 473,
&end
#
# 25 MET HA 25 MET HG3 4.158
&rst
ixpk= 0, nxpk= 0, iat= 330, 336, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 25 MET HG3 54 SER HB2 4.763
&rst
ixpk= 0, nxpk= 0, iat= 336, 802, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 68 ILE QG2 69 ASN HB2 5.522
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1032,1033,1034,
&end
#
# 66 SER HA 69 ASN HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 998,1049, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 23 PHE HA 26 PHE HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 298, 350, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 40 PHE HB2 75 VAL QG1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1144,1145,1146,
&end
#
# 63 ASN HB2 67 LEU QD1 5.302
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr2=1016,1017,1018,
&end
#
# 40 PHE HB2 75 VAL QG2 5.489
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1148,1149,1150,
&end
#
# 59 ILE QG2 63 ASN HB2 3.641
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 887, 888, 889,
&end
#
# 26 PHE HB3 86 LEU QD1 5.313
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1312,1313,1314,
&end
#
# 79 ARG QB 79 ARG HD3 4.279
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1188,1189,
&end
#
# 33 PHE HB3 35 PRO HD2 5.863
&rst
ixpk= 0, nxpk= 0, iat= 486, 514, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 25 MET HG2 53 LEU HA 5.918
&rst
ixpk= 0, nxpk= 0, iat= 335, 781, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 25 MET HG2 54 SER HB2 5.852
&rst
ixpk= 0, nxpk= 0, iat= 335, 802, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 61 LYS HA 63 ASN HB3 4.521
&rst
ixpk= 0, nxpk= 0, iat= 912, 951, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 59 ILE HB 63 ASN HB3 4.972
&rst
ixpk= 0, nxpk= 0, iat= 885, 951, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 80 ILE QG2 84 ASP HB3 4.543
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1214,1215,1216,
&end
#
# 73 PRO HD2 84 ASP HB3 4.642
&rst
ixpk= 0, nxpk= 0, iat=1108,1277, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 46 LEU HA 49 PHE HB3 4.114
&rst
ixpk= 0, nxpk= 0, iat= 687, 732, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 70 MET HA 70 MET HG2 3.465
&rst
ixpk= 0, nxpk= 0, iat=1061,1066, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 74 MET HG2 80 ILE HG13 5.192
&rst
ixpk= 0, nxpk= 0, iat=1128,1219, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 64 GLN QG 65 ILE QD1 4.312
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 967, 968,
igr2= 990, 991, 992,
&end
#
# 83 MET HG3 83 MET QE 4.356
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1266,1267,1268,
&end
#
# 25 MET HB3 26 PHE HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 333, 349, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 25 MET HB3 53 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 792, 793, 794,
&end
#
# 20 GLU QG 23 PHE QB 4.906
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 264, 265,
igr2= 300, 301,
&end
#
# 55 GLU HA 55 GLU QG 3.784
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 816, 817,
&end
#
# 38 THR HA 39 GLN HB2 5.445
&rst
ixpk= 0, nxpk= 0, iat= 554, 570, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 39 GLN HB2 81 HIS HA 6.006
&rst
ixpk= 0, nxpk= 0, iat= 570,1229, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 28 GLU QB 29 ILE HG12 5.038
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 390, 391,
&end
#
# 21 ASP HA 25 MET HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 274, 332, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 27 TYR HA 28 GLU QB 6.05
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 390, 391,
&end
#
# 25 MET HA 28 GLU QB 3.762
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 390, 391,
&end
#
# 28 GLU HA 28 GLU QB 3.234
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 390, 391,
&end
#
# 28 GLU QB 29 ILE HG13 5.687
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 390, 391,
&end
#
# 17 PRO HB3 94 LEU HA 5.346
&rst
ixpk= 0, nxpk= 0, iat= 221,1450, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 75 VAL HB 76 SER HA 6.028
&rst
ixpk= 0, nxpk= 0, iat=1142,1156, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 25 MET QE 54 SER HB2 4.741
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 339, 340, 341,
&end
#
# 25 MET QE 26 PHE HA 4.818
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 339, 340, 341,
&end
#
# 33 PHE HB2 45 VAL HB 6.05
&rst
ixpk= 0, nxpk= 0, iat= 485, 673, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 33 PHE HB2 49 PHE HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 485, 732, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 25 MET QE 57 LEU QD1 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 339, 340, 341,
igr2= 847, 848, 849,
&end
#
# 70 MET HB3 72 LEU HG 4.785
&rst
ixpk= 0, nxpk= 0, iat=1064,1095, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 70 MET HB3 72 LEU QD1 4.532
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1097,1098,1099,
&end
#
# 90 THR HB 93 VAL HB 5.434
&rst
ixpk= 0, nxpk= 0, iat=1376,1436, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 93 VAL HB 94 LEU HA 5.874
&rst
ixpk= 0, nxpk= 0, iat=1436,1450, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 93 VAL HB 94 LEU HB2 5.434
&rst
ixpk= 0, nxpk= 0, iat=1436,1452, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 18 LEU QD2 93 VAL HB 4.785
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 240, 241, 242,
&end
#
# 18 LEU QD1 93 VAL HB 4.785
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 236, 237, 238,
&end
#
# 16 GLU HB2 17 PRO QD 4.444
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 214, 215,
&end
#
# 70 MET HB2 72 LEU HG 4.554
&rst
ixpk= 0, nxpk= 0, iat=1063,1095, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 29 ILE HB 52 ALA QB 5.038
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 773, 774, 775,
&end
#
# 70 MET HB2 72 LEU QD1 4.576
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1097,1098,1099,
&end
#
# 29 ILE HB 29 ILE QD1 4.004
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 414, 415, 416,
&end
#
# 29 ILE HB 53 LEU QD2 3.729
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 792, 793, 794,
&end
#
# 65 ILE HA 68 ILE HB 4.114
&rst
ixpk= 0, nxpk= 0, iat= 979,1030, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 17 PRO HG2 93 VAL HB 5.632
&rst
ixpk= 0, nxpk= 0, iat= 217,1436, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 17 PRO HG2 94 LEU QQD 3.982
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 36 GLU HB3 38 THR HA 5.753
&rst
ixpk= 0, nxpk= 0, iat= 532, 554, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 74 MET QB 80 ILE QG2 5.709
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1=1125,1126,
igr2=1214,1215,1216,
&end
#
# 83 MET HA 83 MET QE 3.74
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1266,1267,1268,
&end
#
# 64 GLN QG 65 ILE HB 5.148
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 967, 968,
&end
#
# 29 ILE HG12 53 LEU QD2 4.081
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 792, 793, 794,
&end
#
# 82 CYS HA 85 ILE HB 4.191
&rst
ixpk= 0, nxpk= 0, iat=1246,1288, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 85 ILE HA 88 ALA QB 4.037
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1346,1347,1348,
&end
#
# 72 LEU HB2 73 PRO HD2 4.554
&rst
ixpk= 0, nxpk= 0, iat=1092,1108, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 72 LEU QD1 88 ALA QB 3.905
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1097,1098,1099,
igr2=1346,1347,1348,
&end
#
# 67 LEU HA 67 LEU HG 4.07
&rst
ixpk= 0, nxpk= 0, iat=1009,1014, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 43 TYR HA 46 LEU HB2 3.993
&rst
ixpk= 0, nxpk= 0, iat= 639, 689, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 61 LYS HB2 61 LYS QE 4.455
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 923, 924,
&end
#
# 59 ILE QG2 70 MET QE 4.356
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 887, 888, 889,
igr2=1070,1071,1072,
&end
#
# 55 GLU HA 58 ARG QG 3.839
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 864, 865,
&end
#
# 51 ASP HA 58 ARG QG 5.049
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 864, 865,
&end
#
# 94 LEU HA 94 LEU HG 4.213
&rst
ixpk= 0, nxpk= 0, iat=1450,1455, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 91 LYS QB 91 LYS HE2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1390,1391,
&end
#
# 94 LEU HB3 94 LEU QQD 3.157
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 91 LYS HA 91 LYS QB 3.223
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr2=1390,1391,
&end
#
# 88 ALA HA 91 LYS QB 3.795
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1390,1391,
&end
#
# 80 ILE QG2 85 ILE HG13 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1214,1215,1216,
&end
#
# 91 LYS QB 91 LYS QD 3.795
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1390,1391,
igr2=1396,1397,
&end
#
# 85 ILE QG2 85 ILE HG13 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1290,1291,1292,
&end
#
# 81 HIS HA 85 ILE HG13 6.05
&rst
ixpk= 0, nxpk= 0, iat=1229,1295, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 70 MET HA 72 LEU HG 5.038
&rst
ixpk= 0, nxpk= 0, iat=1061,1095, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 85 ILE HA 85 ILE HG13 4.114
&rst
ixpk= 0, nxpk= 0, iat=1286,1295, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 72 LEU HG 73 PRO HD2 5.445
&rst
ixpk= 0, nxpk= 0, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 34 ASP HB3 41 ILE QG2 5.258
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 609, 610, 611,
&end
#
# 18 LEU HB2 18 LEU QD1 3.971
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 236, 237, 238,
&end
#
# 18 LEU HB2 18 LEU QD2 3.971
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 240, 241, 242,
&end
#
# 65 ILE HA 65 ILE HG12 4.279
&rst
ixpk= 0, nxpk= 0, iat= 979, 987, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 29 ILE QG2 52 ALA QB 3.058
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 407, 408, 409,
igr2= 773, 774, 775,
&end
#
# 50 ALA QB 51 ASP HA 5.137
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 751, 752, 753,
&end
#
# 86 LEU HB2 86 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1312,1313,1314,
&end
#
# 88 ALA HA 91 LYS QD 4.631
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1396,1397,
&end
#
# 79 ARG QB 79 ARG HD2 4.279
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1188,1189,
&end
#
# 75 VAL QG2 79 ARG QB 3.146
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1148,1149,1150,
igr2=1188,1189,
&end
#
# 61 LYS HB3 61 LYS QE 4.807
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 923, 924,
&end
#
# 41 ILE HB 85 ILE QD1 6.05
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1297,1298,1299,
&end
#
# 8 SER QB 10 ALA QB 5.148
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 96, 97,
igr2= 123, 124, 125,
&end
#
# 38 THR HA 38 THR QG2 3.553
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 558, 559, 560,
&end
#
# 61 LYS HA 61 LYS QG 4.004
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 917, 918,
&end
#
# 51 ASP HA 53 LEU QB 5.995
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 783, 784,
&end
#
# 51 ASP HA 61 LYS QG 6.05
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 917, 918,
&end
#
# 53 LEU HA 53 LEU HG 4.147
&rst
ixpk= 0, nxpk= 0, iat= 781, 786, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 53 LEU QB 58 ARG HA 3.762
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 783, 784,
&end
#
# 53 LEU QB 53 LEU QD1 3.619
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 783, 784,
igr2= 788, 789, 790,
&end
#
# 59 ILE QG2 59 ILE HG12 3.817
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 887, 888, 889,
&end
#
# 53 LEU QB 53 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 783, 784,
igr2= 792, 793, 794,
&end
#
# 61 LYS QG 63 ASN HB3 5.159
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 917, 918,
&end
#
# 68 ILE HA 68 ILE HG13 3.982
&rst
ixpk= 0, nxpk= 0, iat=1028,1037, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 72 LEU HB3 73 PRO HD2 4.554
&rst
ixpk= 0, nxpk= 0, iat=1093,1108, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 18 LEU HB3 18 LEU QD2 3.905
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 240, 241, 242,
&end
#
# 80 ILE QG2 85 ILE QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1214,1215,1216,
igr2=1290,1291,1292,
&end
#
# 59 ILE QG2 60 ALA QB 4.708
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 887, 888, 889,
igr2= 904, 905, 906,
&end
#
# 15 THR HA 15 THR QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 190, 191, 192,
&end
#
# 11 THR HA 11 THR QG2 3.839
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 135, 136, 137,
&end
#
# 45 VAL QG1 48 ASP HB2 5.071
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 675, 676, 677,
&end
#
# 33 PHE HB3 45 VAL QG2 5.071
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 679, 680, 681,
&end
#
# 57 LEU QD1 90 THR QG2 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 847, 848, 849,
igr2=1378,1379,1380,
&end
#
# 90 THR QG2 94 LEU QQD 4.642
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1=1378,1379,1380,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 18 LEU QD2 90 THR QG2 4.378
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 240, 241, 242,
igr2=1378,1379,1380,
&end
#
# 18 LEU QD1 90 THR QG2 4.378
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 236, 237, 238,
igr2=1378,1379,1380,
&end
#
# 86 LEU QD1 90 THR QG2 4.807
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1312,1313,1314,
igr2=1378,1379,1380,
&end
#
# 83 MET HA 86 LEU HB3 4.906
&rst
ixpk= 0, nxpk= 0, iat=1257,1308, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 46 LEU HA 46 LEU QD1 4.697
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 694, 695, 696,
&end
#
# 57 LEU HA 93 VAL QG2 3.806
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1442,1443,1444,
&end
#
# 56 PRO QD 93 VAL QG2 5.302
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 825, 826,
igr2=1442,1443,1444,
&end
#
# 90 THR HA 93 VAL QG2 3.685
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1442,1443,1444,
&end
#
# 68 ILE HA 68 ILE QG2 3.256
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1032,1033,1034,
&end
#
# 72 LEU QD2 73 PRO HD3 5.951
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=1101,1102,1103,
&end
#
# 85 ILE HA 85 ILE HG12 3.608
&rst
ixpk= 0, nxpk= 0, iat=1286,1294, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 84 ASP HB3 85 ILE HG12 5.962
&rst
ixpk= 0, nxpk= 0, iat=1277,1294, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 80 ILE QG2 85 ILE HG12 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1214,1215,1216,
&end
#
# 46 LEU QD2 85 ILE QG2 4.356
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 698, 699, 700,
igr2=1290,1291,1292,
&end
#
# 85 ILE QG2 85 ILE HG12 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1290,1291,1292,
&end
#
# 18 LEU QD1 93 VAL QG1 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 236, 237, 238,
igr2=1438,1439,1440,
&end
#
# 65 ILE HA 68 ILE QD1 3.157
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1039,1040,1041,
&end
#
# 56 PRO HG2 93 VAL QG1 4.928
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1438,1439,1440,
&end
#
# 87 PHE HA 94 LEU QQD 5.489
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 90 THR HB 94 LEU QQD 3.278
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 29 ILE HA 29 ILE QG2 3.256
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 407, 408, 409,
&end
#
# 29 ILE QG2 29 ILE QD1 3.696
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 407, 408, 409,
igr2= 414, 415, 416,
&end
#
# 29 ILE QG2 49 PHE HA 4.642
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 407, 408, 409,
&end
#
# 26 PHE HA 53 LEU QD1 5.016
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 788, 789, 790,
&end
#
# 18 LEU QD2 90 THR HA 4.609
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 240, 241, 242,
&end
#
# 50 ALA HA 53 LEU QD1 3.795
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 788, 789, 790,
&end
#
# 18 LEU QD2 93 VAL QG1 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 240, 241, 242,
igr2=1438,1439,1440,
&end
#
# 29 ILE QG2 53 LEU QD2 4.015
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 407, 408, 409,
igr2= 792, 793, 794,
&end
#
# 41 ILE HG13 85 ILE QD1 4.257
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1297,1298,1299,
&end
#
# 85 ILE QG2 85 ILE QD1 3.509
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1290,1291,1292,
igr2=1297,1298,1299,
&end
#
# 50 ALA QB 67 LEU QD2 3.905
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 751, 752, 753,
igr2=1020,1021,1022,
&end
#
# 67 LEU HA 67 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1020,1021,1022,
&end
#
# 47 SER HA 67 LEU QD2 5.236
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1020,1021,1022,
&end
#
# 47 SER QB 67 LEU QD2 4.499
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 708, 709,
igr2=1020,1021,1022,
&end
#
# 30 TRP HA 53 LEU QD2 5.192
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 792, 793, 794,
&end
#
# 50 ALA HA 53 LEU QD2 5.731
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 792, 793, 794,
&end
#
# 59 ILE HA 59 ILE HG13 4.213
&rst
ixpk= 0, nxpk= 0, iat= 883, 892, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 59 ILE QG2 59 ILE HG13 3.894
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 887, 888, 889,
&end
#
# 85 ILE HA 85 ILE QG2 3.795
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1290,1291,1292,
&end
#
# 85 ILE QG2 86 LEU HA 4.521
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1290,1291,1292,
&end
#
# 46 LEU QD1 85 ILE QG2 4.356
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 694, 695, 696,
igr2=1290,1291,1292,
&end
#
# 72 LEU QD1 85 ILE QG2 5.533
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1097,1098,1099,
igr2=1290,1291,1292,
&end
#
# 41 ILE QG2 80 ILE QD1 5.412
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 609, 610, 611,
igr2=1221,1222,1223,
&end
#
# 33 PHE HA 41 ILE QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 609, 610, 611,
&end
#
# 41 ILE QG2 80 ILE HB 5.962
&rst
ixpk= 0, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 609, 610, 611,
&end
#
# 58 ARG HA 59 ILE QD1 4.939
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 894, 895, 896,
&end
#
# 59 ILE QD1 89 PHE HB2 5.995
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 894, 895, 896,
&end
#
# 59 ILE HA 59 ILE QD1 4.433
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 894, 895, 896,
&end
#
# 41 ILE QD1 46 LEU HA 4.103
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 616, 617, 618,
&end
#
# 41 ILE QD1 85 ILE QG2 5.214
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 616, 617, 618,
igr2=1290,1291,1292,
&end
#
# 41 ILE QD1 43 TYR HA 5.181
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 616, 617, 618,
&end
#
# 86 LEU HB3 86 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1316,1317,1318,
&end
#
# 86 LEU HB3 86 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1312,1313,1314,
&end
#
# 30 TRP HE1 31 GLU HA 5.401
&rst
ixpk= 0, nxpk= 0, iat= 430, 446, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 30 TRP HE1 37 ALA HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 430, 544, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 30 TRP HE1 40 PHE H 5.423
&rst
ixpk= 0, nxpk= 0, iat= 430, 583, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 30 TRP HE1 34 ASP H 6.05
&rst
ixpk= 0, nxpk= 0, iat= 430, 501, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 30 TRP HE1 41 ILE QG2 5.511
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 609, 610, 611,
&end
#
# 30 TRP HZ3 41 ILE HB 5.885
&rst
ixpk= 0, nxpk= 0, iat= 437, 607, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 30 TRP HZ3 41 ILE HG13 5.445
&rst
ixpk= 0, nxpk= 0, iat= 437, 614, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 80 ILE HA 81 HIS HA 6.05
&rst
ixpk= 0, nxpk= 0, iat=1210,1229, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 30 TRP HZ2 40 PHE HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 433, 587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 30 TRP HZ2 40 PHE HB3 6.05
&rst
ixpk= 0, nxpk= 0, iat= 433, 588, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 30 TRP H 30 TRP HE3 5.368
&rst
ixpk= 0, nxpk= 0, iat= 420, 439, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 58 ARG H 59 ILE H 5.115
&rst
ixpk= 0, nxpk= 0, iat= 857, 881, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 4 SER HA 5 GLU QB 4.884
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 47, 48,
&end
#
# 7 PHE H 7 PHE QB 4.059
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 76, 77,
&end
#
# 8 SER HA 9 VAL QQG 5.984
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 109, 110, 111, 113, 114, 115,
&end
#
# 9 VAL H 9 VAL QQG 4.301
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 109, 110, 111, 113, 114, 115,
&end
#
# 9 VAL QQG 10 ALA H 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 109, 110, 111, 113, 114, 115,
&end
#
# 11 THR QG2 12 GLU QB 5.005
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 135, 136, 137,
igr2= 147, 148,
&end
#
# 12 GLU H 12 GLU QB 3.597
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 147, 148,
&end
#
# 12 GLU QB 13 GLU H 3.795
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 147, 148,
&end
#
# 13 GLU H 13 GLU QB 3.806
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 162, 163,
&end
#
# 13 GLU QB 14 SER H 4.378
&rst
ixpk= 0, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 162, 163,
&end
#
# 15 THR H 16 GLU QB 5.698
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 202, 203,
&end
#
# 15 THR H 16 GLU QG 5.874
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 205, 206,
&end
#
# 16 GLU H 16 GLU QB 3.509
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 202, 203,
&end
#
# 16 GLU H 16 GLU QG 3.861
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 205, 206,
&end
#
# 16 GLU HA 16 GLU QG 3.773
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 205, 206,
&end
#
# 16 GLU QB 17 PRO QD 3.894
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 202, 203,
igr2= 214, 215,
&end
#
# 16 GLU QB 18 LEU H 4.367
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 202, 203,
&end
#
# 16 GLU QB 18 LEU QQD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1= 202, 203,
igr2= 236, 237, 238, 240, 241, 242,
&end
#
# 16 GLU QB 94 LEU QQD 5.368
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr1= 202, 203,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 16 GLU QG 17 PRO QD 4.631
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 205, 206,
igr2= 214, 215,
&end
#
# 17 PRO HB2 18 LEU QQD 4.851
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2= 236, 237, 238, 240, 241, 242,
&end
#
# 17 PRO HG2 18 LEU QQD 4.983
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr2= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU H 18 LEU QQD 3.982
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU HA 18 LEU QQD 3.311
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU HA 22 ASP QB 5.247
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 288, 289,
&end
#
# 18 LEU HB2 18 LEU QQD 3.333
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU HB2 22 ASP QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 288, 289,
&end
#
# 18 LEU HB3 22 ASP QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 288, 289,
&end
#
# 18 LEU QQD 19 SER H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 22 ASP HA 5.082
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 22 ASP QB 3.663
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 236, 237, 238, 240, 241, 242,
igr2= 288, 289,
&end
#
# 18 LEU QQD 56 PRO QG 4.059
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 236, 237, 238, 240, 241, 242,
igr2= 828, 829,
&end
#
# 18 LEU QQD 57 LEU H 5.588
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 57 LEU HA 5.555
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 57 LEU QQD 3.432
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 236, 237, 238, 240, 241, 242,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 18 LEU QQD 89 PHE HB3 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 90 THR HA 3.663
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 90 THR HB 4.015
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 90 THR QG2 3.575
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 236, 237, 238, 240, 241, 242,
igr2=1378,1379,1380,
&end
#
# 18 LEU QQD 93 VAL HB 3.938
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 93 VAL QG1 3.817
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 236, 237, 238, 240, 241, 242,
igr2=1438,1439,1440,
&end
#
# 18 LEU QQD 93 VAL QG2 4.026
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 236, 237, 238, 240, 241, 242,
igr2=1442,1443,1444,
&end
#
# 18 LEU QQD 94 LEU H 5.544
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 18 LEU QQD 94 LEU HG 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 236, 237, 238, 240, 241, 242,
&end
#
# 19 SER H 22 ASP QB 3.784
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 288, 289,
&end
#
# 19 SER QB 20 GLU H 3.542
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 250, 251,
&end
#
# 19 SER QB 21 ASP H 4.092
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 250, 251,
&end
#
# 19 SER QB 22 ASP H 4.246
&rst
ixpk= 0, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 250, 251,
&end
#
# 20 GLU H 20 GLU QB 3.322
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 261, 262,
&end
#
# 20 GLU QB 21 ASP H 3.597
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 261, 262,
&end
#
# 21 ASP H 21 ASP QB 3.278
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 276, 277,
&end
#
# 21 ASP HA 24 ASP QB 3.663
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 320, 321,
&end
#
# 21 ASP QB 22 ASP H 3.729
&rst
ixpk= 0, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 276, 277,
&end
#
# 22 ASP H 22 ASP QB 3.663
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 288, 289,
&end
#
# 22 ASP HA 57 LEU QQD 4.345
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 22 ASP QB 23 PHE HA 5.192
&rst
ixpk= 0, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 288, 289,
&end
#
# 22 ASP QB 57 LEU QQD 4.059
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 288, 289,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 23 PHE H 57 LEU QQD 5.984
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 23 PHE HA 57 LEU QQD 5.071
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 23 PHE HA 86 LEU QQD 5.159
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 23 PHE QB 24 ASP QB 4.829
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 300, 301,
igr2= 320, 321,
&end
#
# 23 PHE QB 86 LEU QQD 5.104
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 300, 301,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 23 PHE QR 57 LEU QQD 5.005
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1= 306, 310, 304, 312,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 23 PHE QR 86 LEU QQD 3.674
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 306, 310, 304, 312,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 24 ASP QB 25 MET H 3.553
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 320, 321,
&end
#
# 25 MET HB3 57 LEU QQD 5.192
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 25 MET HG2 54 SER QB 4.972
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 802, 803,
&end
#
# 25 MET QE 54 SER QB 4.004
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 339, 340, 341,
igr2= 802, 803,
&end
#
# 25 MET QE 57 LEU QB 3.652
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 339, 340, 341,
igr2= 842, 843,
&end
#
# 25 MET QE 57 LEU QQD 3.146
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 339, 340, 341,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 26 PHE H 57 LEU QQD 4.312
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 26 PHE HB2 57 LEU QQD 4.147
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 26 PHE HB3 57 LEU QQD 4.587
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 26 PHE HB3 86 LEU QQD 4.334
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 26 PHE QD 30 TRP QB 4.279
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 353, 361,
igr2= 424, 425,
&end
#
# 26 PHE QD 57 LEU QQD 3.674
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 353, 361,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 26 PHE QD 86 LEU QQD 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 353, 361,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 26 PHE QE 57 LEU QQD 5.225
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 355, 359,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 26 PHE QE 86 LEU QB 4.983
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 355, 359,
igr2=1307,1308,
&end
#
# 27 TYR H 57 LEU QQD 5.984
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 27 TYR H 86 LEU QQD 5.984
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 27 TYR HA 30 TRP QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 424, 425,
&end
#
# 27 TYR QD 86 LEU QQD 4.994
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 373, 382,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 27 TYR QE 86 LEU QQD 4.213
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 375, 380,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 28 GLU H 28 GLU QG 5.291
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 393, 394,
&end
#
# 28 GLU HA 28 GLU QG 3.685
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 393, 394,
&end
#
# 28 GLU HA 31 GLU QB 4.653
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 448, 449,
&end
#
# 28 GLU QG 29 ILE HA 4.741
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 393, 394,
&end
#
# 28 GLU QG 29 ILE QD1 4.103
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 393, 394,
igr2= 414, 415, 416,
&end
#
# 28 GLU QG 32 LYS QE 4.763
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 393, 394,
igr2= 472, 473,
&end
#
# 29 ILE HA 32 LYS QB 4.752
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 463, 464,
&end
#
# 29 ILE HA 32 LYS QG 3.201
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 466, 467,
&end
#
# 29 ILE QG2 30 TRP QB 5.764
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 407, 408, 409,
igr2= 424, 425,
&end
#
# 29 ILE QG2 32 LYS QB 5.082
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 407, 408, 409,
igr2= 463, 464,
&end
#
# 29 ILE QG2 32 LYS QG 4.246
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 407, 408, 409,
igr2= 466, 467,
&end
#
# 30 TRP H 32 LYS QG 5.874
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 466, 467,
&end
#
# 30 TRP QB 31 GLU H 3.861
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 424, 425,
&end
#
# 30 TRP QB 49 PHE QE 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 424, 425,
igr2= 737, 741,
&end
#
# 30 TRP QB 49 PHE HZ 5.445
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 424, 425,
&end
#
# 30 TRP HD1 34 ASP QB 4.961
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 505, 506,
&end
#
# 30 TRP HE1 34 ASP QB 3.608
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 505, 506,
&end
#
# 30 TRP HZ2 34 ASP QB 4.488
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 505, 506,
&end
#
# 30 TRP HZ2 82 CYS QB 3.982
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1248,1249,
&end
#
# 31 GLU H 31 GLU QB 3.311
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 448, 449,
&end
#
# 31 GLU H 31 GLU QG 3.861
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 451, 452,
&end
#
# 31 GLU H 32 LYS QG 4.873
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 466, 467,
&end
#
# 31 GLU HA 31 GLU QG 3.993
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 451, 452,
&end
#
# 31 GLU QG 32 LYS H 5.401
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 451, 452,
&end
#
# 32 LYS H 32 LYS QG 3.267
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 466, 467,
&end
#
# 32 LYS HA 32 LYS QG 3.553
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 466, 467,
&end
#
# 32 LYS QB 32 LYS QD 3.553
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 463, 464,
igr2= 469, 470,
&end
#
# 32 LYS QB 32 LYS QE 4.367
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 463, 464,
igr2= 472, 473,
&end
#
# 32 LYS QB 33 PHE H 4.004
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 463, 464,
&end
#
# 32 LYS QB 33 PHE QD 4.147
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 463, 464,
igr2= 489, 497,
&end
#
# 32 LYS QG 32 LYS QE 3.498
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 466, 467,
igr2= 472, 473,
&end
#
# 32 LYS QG 33 PHE QD 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 466, 467,
igr2= 489, 497,
&end
#
# 32 LYS QG 33 PHE QE 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 466, 467,
igr2= 491, 495,
&end
#
# 34 ASP QB 37 ALA QB 5.676
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr1= 505, 506,
igr2= 546, 547, 548,
&end
#
# 34 ASP QB 38 THR H 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 505, 506,
&end
#
# 34 ASP QB 39 GLN H 4.851
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 505, 506,
&end
#
# 34 ASP QB 41 ILE QG2 4.499
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 505, 506,
igr2= 609, 610, 611,
&end
#
# 37 ALA QB 39 GLN QG 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 546, 547, 548,
igr2= 573, 574,
&end
#
# 38 THR HA 39 GLN QG 4.576
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 573, 574,
&end
#
# 38 THR QG2 39 GLN QE2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 558, 559, 560,
igr2= 578, 579,
&end
#
# 39 GLN H 39 GLN QG 4.246
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 573, 574,
&end
#
# 39 GLN HA 39 GLN QG 3.872
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 573, 574,
&end
#
# 39 GLN HA 82 CYS QB 5.159
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1248,1249,
&end
#
# 39 GLN HB2 82 CYS QB 4.928
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1248,1249,
&end
#
# 39 GLN HB3 82 CYS QB 4.488
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1248,1249,
&end
#
# 39 GLN QG 39 GLN QE2 3.498
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 573, 574,
igr2= 578, 579,
&end
#
# 39 GLN QG 40 PHE H 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 573, 574,
&end
#
# 39 GLN QG 82 CYS QB 5.698
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 573, 574,
igr2=1248,1249,
&end
#
# 40 PHE H 82 CYS QB 5.764
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1248,1249,
&end
#
# 41 ILE QG2 46 LEU QQD 5.544
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 609, 610, 611,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 41 ILE QD1 46 LEU QQD 3.872
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 616, 617, 618,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 42 GLU H 42 GLU QB 3.685
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 626, 627,
&end
#
# 42 GLU H 42 GLU QG 4.015
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 629, 630,
&end
#
# 42 GLU QB 43 TYR H 3.641
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 626, 627,
&end
#
# 42 GLU QB 44 SER H 3.377
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 626, 627,
&end
#
# 42 GLU QB 44 SER QB 5.599
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 626, 627,
igr2= 662, 663,
&end
#
# 42 GLU QB 45 VAL H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 626, 627,
&end
#
# 42 GLU QB 45 VAL QG1 4.015
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 626, 627,
igr2= 675, 676, 677,
&end
#
# 42 GLU QB 45 VAL QG2 4.147
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 626, 627,
igr2= 679, 680, 681,
&end
#
# 42 GLU QB 79 ARG HA 5.698
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 626, 627,
&end
#
# 42 GLU QG 45 VAL QG1 5.698
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 629, 630,
igr2= 675, 676, 677,
&end
#
# 42 GLU QG 45 VAL QG2 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 629, 630,
igr2= 679, 680, 681,
&end
#
# 42 GLU QG 79 ARG HA 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 629, 630,
&end
#
# 42 GLU QG 79 ARG HG2 4.653
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 629, 630,
&end
#
# 42 GLU QG 79 ARG HG3 5.016
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 629, 630,
&end
#
# 43 TYR H 43 TYR QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 641, 642,
&end
#
# 43 TYR H 78 ASP QB 4.268
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1176,1177,
&end
#
# 43 TYR HA 46 LEU QQD 4.257
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 43 TYR QB 44 SER H 3.597
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 641, 642,
&end
#
# 43 TYR QB 74 MET QE 4.312
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 641, 642,
igr2=1132,1133,1134,
&end
#
# 43 TYR QB 78 ASP QB 4.895
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 641, 642,
igr2=1176,1177,
&end
#
# 43 TYR QB 80 ILE QD1 3.993
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 641, 642,
igr2=1221,1222,1223,
&end
#
# 43 TYR QD 46 LEU QQD 3.927
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 645, 654,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 43 TYR QD 67 LEU QQD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1= 645, 654,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 43 TYR QD 72 LEU QQD 5.841
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34,
igr1= 645, 654,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 43 TYR QE 46 LEU QQD 3.795
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 647, 652,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 43 TYR QE 72 LEU QQD 4.367
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 647, 652,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 44 SER H 78 ASP QB 5.434
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1176,1177,
&end
#
# 46 LEU H 46 LEU QQD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 46 LEU H 67 LEU QQD 5.148
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 46 LEU HA 46 LEU QQD 3.454
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 694, 695, 696, 698, 699, 700,
&end
#
# 46 LEU HB2 67 LEU QQD 5.137
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 46 LEU QQD 47 SER H 5.104
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 694, 695, 696, 698, 699, 700,
&end
#
# 46 LEU QQD 49 PHE H 4.785
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 694, 695, 696, 698, 699, 700,
&end
#
# 46 LEU QQD 49 PHE HB3 4.499
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 694, 695, 696, 698, 699, 700,
&end
#
# 46 LEU QQD 49 PHE QD 3.652
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 694, 695, 696, 698, 699, 700,
igr2= 735, 743,
&end
#
# 46 LEU QQD 49 PHE QE 4.312
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 694, 695, 696, 698, 699, 700,
igr2= 737, 741,
&end
#
# 46 LEU QQD 50 ALA H 4.664
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 694, 695, 696, 698, 699, 700,
&end
#
# 46 LEU QQD 50 ALA QB 4.191
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 694, 695, 696, 698, 699, 700,
igr2= 751, 752, 753,
&end
#
# 46 LEU QQD 59 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 694, 695, 696, 698, 699, 700,
igr2= 894, 895, 896,
&end
#
# 46 LEU QQD 67 LEU QQD 3.531
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 694, 695, 696, 698, 699, 700,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 46 LEU QQD 80 ILE QD1 3.773
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 694, 695, 696, 698, 699, 700,
igr2=1221,1222,1223,
&end
#
# 46 LEU QQD 85 ILE QG2 3.597
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 694, 695, 696, 698, 699, 700,
igr2=1290,1291,1292,
&end
#
# 46 LEU QQD 85 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 694, 695, 696, 698, 699, 700,
igr2=1297,1298,1299,
&end
#
# 46 LEU QQD 89 PHE QD 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1= 694, 695, 696, 698, 699, 700,
igr2=1360,1368,
&end
#
# 46 LEU QQD 89 PHE QE 4.477
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 694, 695, 696, 698, 699, 700,
igr2=1362,1366,
&end
#
# 47 SER H 67 LEU QQD 4.169
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 47 SER HA 67 LEU QQD 3.553
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 47 SER QB 67 LEU QQD 3.619
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 708, 709,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 48 ASP H 67 LEU QQD 5.94
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 48 ASP HA 51 ASP QB 4.191
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 761, 762,
&end
#
# 50 ALA HA 51 ASP QB 5.874
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 761, 762,
&end
#
# 50 ALA HA 67 LEU QQD 5.709
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 50 ALA QB 51 ASP QB 5.016
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 751, 752, 753,
igr2= 761, 762,
&end
#
# 50 ALA QB 67 LEU QQD 3.355
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 751, 752, 753,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 51 ASP HA 58 ARG QB 5.324
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 861, 862,
&end
#
# 51 ASP HA 58 ARG QD 5.434
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 867, 868,
&end
#
# 51 ASP QB 52 ALA H 4.081
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 761, 762,
&end
#
# 51 ASP QB 52 ALA QB 4.774
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 761, 762,
igr2= 773, 774, 775,
&end
#
# 51 ASP QB 60 ALA HA 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 761, 762,
&end
#
# 51 ASP QB 61 LYS H 5.445
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 761, 762,
&end
#
# 51 ASP QB 61 LYS QG 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 761, 762,
igr2= 917, 918,
&end
#
# 51 ASP QB 63 ASN HD21 4.851
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 761, 762,
&end
#
# 53 LEU H 58 ARG QB 5.368
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 861, 862,
&end
#
# 53 LEU HA 54 SER QB 5.874
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 802, 803,
&end
#
# 53 LEU QB 58 ARG QB 4.565
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 783, 784,
igr2= 861, 862,
&end
#
# 53 LEU QD1 57 LEU QB 4.356
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 788, 789, 790,
igr2= 842, 843,
&end
#
# 53 LEU QD2 57 LEU QQD 4.279
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 792, 793, 794,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 54 SER H 57 LEU QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 842, 843,
&end
#
# 54 SER H 57 LEU QQD 5.731
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 54 SER H 58 ARG QB 4.774
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 861, 862,
&end
#
# 54 SER QB 55 GLU H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 802, 803,
&end
#
# 55 GLU H 55 GLU QB 3.322
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 813, 814,
&end
#
# 55 GLU H 58 ARG QB 4.862
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 861, 862,
&end
#
# 55 GLU H 58 ARG QD 5.181
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 867, 868,
&end
#
# 55 GLU HA 58 ARG QB 3.784
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 861, 862,
&end
#
# 55 GLU QB 56 PRO HA 3.696
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 813, 814,
&end
#
# 55 GLU QB 56 PRO HB3 5.654
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 813, 814,
&end
#
# 55 GLU QG 58 ARG QD 4.598
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 816, 817,
igr2= 867, 868,
&end
#
# 56 PRO QG 57 LEU H 4.829
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 828, 829,
&end
#
# 56 PRO QG 57 LEU HG 5.885
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 828, 829,
&end
#
# 56 PRO QG 57 LEU QQD 4.708
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 828, 829,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 56 PRO QG 93 VAL QG1 4.301
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 828, 829,
igr2=1438,1439,1440,
&end
#
# 56 PRO QG 93 VAL QG2 4.565
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 828, 829,
igr2=1442,1443,1444,
&end
#
# 57 LEU H 57 LEU QB 3.641
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 842, 843,
&end
#
# 57 LEU H 57 LEU QQD 3.762
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU H 58 ARG QB 5.775
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 861, 862,
&end
#
# 57 LEU HA 57 LEU QQD 3.168
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QB 57 LEU QQD 3.102
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 842, 843,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QB 89 PHE HB3 5.302
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 842, 843,
&end
#
# 57 LEU QQD 58 ARG H 5.808
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 86 LEU QQD 3.718
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 847, 848, 849, 851, 852, 853,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 57 LEU QQD 89 PHE H 5.577
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 89 PHE HA 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 89 PHE HB2 3.806
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 89 PHE HB3 3.982
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 89 PHE QD 4.939
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 847, 848, 849, 851, 852, 853,
igr2=1360,1368,
&end
#
# 57 LEU QQD 90 THR H 4.455
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 90 THR HA 3.773
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 90 THR HB 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 90 THR QG2 3.553
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 847, 848, 849, 851, 852, 853,
igr2=1378,1379,1380,
&end
#
# 57 LEU QQD 93 VAL H 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 847, 848, 849, 851, 852, 853,
&end
#
# 57 LEU QQD 93 VAL QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 847, 848, 849, 851, 852, 853,
igr2=1442,1443,1444,
&end
#
# 58 ARG H 58 ARG QB 3.663
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 861, 862,
&end
#
# 58 ARG H 58 ARG QD 5.654
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 867, 868,
&end
#
# 58 ARG QB 58 ARG QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 861, 862,
igr2= 867, 868,
&end
#
# 58 ARG QB 59 ILE H 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 861, 862,
&end
#
# 58 ARG QB 60 ALA HA 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 861, 862,
&end
#
# 58 ARG QD 59 ILE H 5.016
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 867, 868,
&end
#
# 58 ARG QD 59 ILE HA 4.389
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 867, 868,
&end
#
# 58 ARG QD 59 ILE QG2 5.291
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 867, 868,
igr2= 887, 888, 889,
&end
#
# 58 ARG QD 59 ILE HG13 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 867, 868,
&end
#
# 58 ARG QD 59 ILE QD1 5.115
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 867, 868,
igr2= 894, 895, 896,
&end
#
# 58 ARG QD 60 ALA H 4.939
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 867, 868,
&end
#
# 58 ARG QD 60 ALA HA 5.434
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 867, 868,
&end
#
# 58 ARG QD 60 ALA QB 4.213
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 867, 868,
igr2= 904, 905, 906,
&end
#
# 58 ARG QD 61 LYS H 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 867, 868,
&end
#
# 59 ILE QG2 66 SER QB 3.564
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 887, 888, 889,
igr2=1000,1001,
&end
#
# 59 ILE HG12 66 SER QB 5.082
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1000,1001,
&end
#
# 59 ILE QD1 66 SER QB 4.895
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 894, 895, 896,
igr2=1000,1001,
&end
#
# 59 ILE QD1 67 LEU QQD 3.707
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 894, 895, 896,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 63 ASN HA 66 SER QB 4.543
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1000,1001,
&end
#
# 63 ASN HB2 67 LEU QQD 4.455
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 63 ASN HB3 66 SER QB 4.312
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1000,1001,
&end
#
# 63 ASN HB3 67 LEU QQD 5.467
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 63 ASN HD22 67 LEU QQD 5.775
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 64 GLN H 64 GLN QB 3.817
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 964, 965,
&end
#
# 64 GLN H 65 ILE QG1 4.763
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 987, 988,
&end
#
# 64 GLN HA 67 LEU QQD 5.775
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 64 GLN HA 68 ILE QG1 5.324
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1036,1037,
&end
#
# 64 GLN QB 65 ILE H 4.048
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 964, 965,
&end
#
# 64 GLN QB 65 ILE QG1 5.698
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 964, 965,
igr2= 987, 988,
&end
#
# 64 GLN QB 65 ILE QD1 5.258
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 964, 965,
igr2= 990, 991, 992,
&end
#
# 64 GLN QG 65 ILE QG1 5.071
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 967, 968,
igr2= 987, 988,
&end
#
# 64 GLN QE2 65 ILE QD1 5.489
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 972, 973,
igr2= 990, 991, 992,
&end
#
# 65 ILE H 65 ILE QG1 3.663
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 987, 988,
&end
#
# 65 ILE H 68 ILE QG1 5.852
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1036,1037,
&end
#
# 65 ILE HA 65 ILE QG1 3.575
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 987, 988,
&end
#
# 65 ILE HA 68 ILE QG1 3.971
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1036,1037,
&end
#
# 65 ILE QG2 65 ILE QG1 3.399
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 983, 984, 985,
igr2= 987, 988,
&end
#
# 65 ILE QG1 66 SER H 5.203
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 987, 988,
&end
#
# 65 ILE QG1 68 ILE QD1 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 987, 988,
igr2=1039,1040,1041,
&end
#
# 66 SER H 67 LEU QQD 5.225
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 66 SER QB 67 LEU H 3.839
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1000,1001,
&end
#
# 66 SER QB 67 LEU HB2 5.478
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1000,1001,
&end
#
# 66 SER QB 67 LEU HG 4.345
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1000,1001,
&end
#
# 66 SER QB 67 LEU QQD 4.653
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1000,1001,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 66 SER QB 70 MET HG3 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1000,1001,
&end
#
# 66 SER QB 70 MET QE 4.565
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1000,1001,
igr2=1070,1071,1072,
&end
#
# 67 LEU H 67 LEU QQD 3.641
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 67 LEU HA 67 LEU QQD 3.355
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1016,1017,1018,1020,1021,1022,
&end
#
# 67 LEU HA 72 LEU QQD 5.357
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 67 LEU QQD 68 ILE H 4.906
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1016,1017,1018,1020,1021,1022,
&end
#
# 67 LEU QQD 70 MET HG3 5.104
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1016,1017,1018,1020,1021,1022,
&end
#
# 67 LEU QQD 70 MET QE 3.762
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1016,1017,1018,1020,1021,1022,
igr2=1070,1071,1072,
&end
#
# 67 LEU QQD 89 PHE QD 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1=1016,1017,1018,1020,1021,1022,
igr2=1360,1368,
&end
#
# 67 LEU QQD 89 PHE QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=1016,1017,1018,1020,1021,1022,
igr2=1362,1366,
&end
#
# 68 ILE H 68 ILE QG1 3.509
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1036,1037,
&end
#
# 68 ILE HA 68 ILE QG1 3.465
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1036,1037,
&end
#
# 68 ILE QG2 68 ILE QG1 3.289
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1032,1033,1034,
igr2=1036,1037,
&end
#
# 68 ILE QG1 69 ASN H 4.565
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1036,1037,
&end
#
# 70 MET H 72 LEU QQD 5.984
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 70 MET HA 72 LEU QQD 5.126
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 70 MET HB2 72 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 70 MET HB3 72 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 70 MET HG2 72 LEU QQD 5.555
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 71 ASP QB 72 LEU H 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1080,1081,
&end
#
# 72 LEU H 72 LEU QB 3.652
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1092,1093,
&end
#
# 72 LEU HA 72 LEU QQD 3.278
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QB 72 LEU QQD 2.948
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1092,1093,
igr2=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QB 73 PRO HD2 3.982
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1092,1093,
&end
#
# 72 LEU QB 73 PRO HD3 4.367
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1092,1093,
&end
#
# 72 LEU QB 88 ALA QB 4.664
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1092,1093,
igr2=1346,1347,1348,
&end
#
# 72 LEU QQD 73 PRO HD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 73 PRO HD3 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 80 ILE QG2 3.916
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1097,1098,1099,1101,1102,1103,
igr2=1214,1215,1216,
&end
#
# 72 LEU QQD 84 ASP HA 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 84 ASP HB3 5.203
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 85 ILE H 5.192
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 85 ILE HA 4.103
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 85 ILE HB 5.324
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 85 ILE QG2 4.565
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1097,1098,1099,1101,1102,1103,
igr2=1290,1291,1292,
&end
#
# 72 LEU QQD 85 ILE QD1 4.532
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1097,1098,1099,1101,1102,1103,
igr2=1297,1298,1299,
&end
#
# 72 LEU QQD 88 ALA H 4.477
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 88 ALA QB 3.014
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1097,1098,1099,1101,1102,1103,
igr2=1346,1347,1348,
&end
#
# 72 LEU QQD 89 PHE H 5.489
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1097,1098,1099,1101,1102,1103,
&end
#
# 72 LEU QQD 89 PHE QD 5.984
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1=1097,1098,1099,1101,1102,1103,
igr2=1360,1368,
&end
#
# 72 LEU QQD 89 PHE QE 4.576
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1097,1098,1099,1101,1102,1103,
igr2=1362,1366,
&end
#
# 73 PRO HA 74 MET QG 5.874
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1128,1129,
&end
#
# 73 PRO QB 74 MET H 3.993
&rst
ixpk= 0, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1114,1115,
&end
#
# 73 PRO QB 84 ASP HB3 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1114,1115,
&end
#
# 73 PRO QG 74 MET H 5.357
&rst
ixpk= 0, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1111,1112,
&end
#
# 73 PRO QG 84 ASP HB2 4.774
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1111,1112,
&end
#
# 74 MET H 74 MET QG 5.687
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1128,1129,
&end
#
# 74 MET HA 74 MET QG 3.751
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1128,1129,
&end
#
# 74 MET QG 78 ASP HA 4.576
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1128,1129,
&end
#
# 74 MET QG 79 ARG H 5.379
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1128,1129,
&end
#
# 74 MET QG 79 ARG HA 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1128,1129,
&end
#
# 74 MET QG 80 ILE H 5.445
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1128,1129,
&end
#
# 74 MET QG 80 ILE QG2 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1128,1129,
igr2=1214,1215,1216,
&end
#
# 74 MET QG 80 ILE HG12 4.708
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1128,1129,
&end
#
# 74 MET QG 80 ILE HG13 4.224
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1128,1129,
&end
#
# 74 MET QG 80 ILE QD1 4.356
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1128,1129,
igr2=1221,1222,1223,
&end
#
# 74 MET QE 78 ASP QB 5.082
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1132,1133,1134,
igr2=1176,1177,
&end
#
# 75 VAL QG2 76 SER QB 5.082
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1148,1149,1150,
igr2=1158,1159,
&end
#
# 75 VAL QG2 79 ARG QD 4.565
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1148,1149,1150,
igr2=1194,1195,
&end
#
# 76 SER H 76 SER QB 3.597
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1158,1159,
&end
#
# 76 SER QB 77 GLY H 4.202
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1158,1159,
&end
#
# 76 SER QB 77 GLY QA 4.906
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1158,1159,
igr2=1167,1168,
&end
#
# 76 SER QB 78 ASP H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1158,1159,
&end
#
# 77 GLY QA 78 ASP HA 4.928
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1167,1168,
&end
#
# 77 GLY QA 78 ASP QB 5.621
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=1167,1168,
igr2=1176,1177,
&end
#
# 77 GLY QA 79 ARG H 5.192
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1167,1168,
&end
#
# 78 ASP QB 79 ARG H 4.862
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1176,1177,
&end
#
# 79 ARG H 79 ARG QD 5.346
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1194,1195,
&end
#
# 79 ARG HA 79 ARG QD 5.093
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1194,1195,
&end
#
# 79 ARG QB 79 ARG QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1188,1189,
igr2=1194,1195,
&end
#
# 81 HIS HA 82 CYS QB 4.961
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1248,1249,
&end
#
# 82 CYS H 82 CYS QB 3.586
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1248,1249,
&end
#
# 82 CYS QB 83 MET H 4.576
&rst
ixpk= 0, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1248,1249,
&end
#
# 83 MET H 83 MET QG 4.554
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1262,1263,
&end
#
# 83 MET HA 83 MET QG 4.037
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1262,1263,
&end
#
# 83 MET HA 86 LEU QB 4.103
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1307,1308,
&end
#
# 83 MET HA 86 LEU QQD 4.532
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 83 MET QB 84 ASP H 4.004
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1259,1260,
&end
#
# 83 MET QG 83 MET QE 3.828
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1262,1263,
igr2=1266,1267,1268,
&end
#
# 83 MET QE 86 LEU QB 4.268
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1266,1267,1268,
igr2=1307,1308,
&end
#
# 83 MET QE 86 LEU QQD 4.004
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1266,1267,1268,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 84 ASP HA 87 PHE QB 4.037
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1326,1327,
&end
#
# 85 ILE H 86 LEU QB 5.06
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1307,1308,
&end
#
# 85 ILE QG2 86 LEU QQD 5.808
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90,
igr1=1290,1291,1292,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 86 LEU H 86 LEU QQD 4.191
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 86 LEU HA 86 LEU QQD 3.311
&rst
ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1312,1313,1314,1316,1317,1318,
&end
#
# 86 LEU QB 87 PHE H 3.938
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1307,1308,
&end
#
# 86 LEU QB 88 ALA H 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1307,1308,
&end
#
# 86 LEU QQD 87 PHE H 4.686
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1312,1313,1314,1316,1317,1318,
&end
#
# 86 LEU QQD 90 THR HB 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1312,1313,1314,1316,1317,1318,
&end
#
# 86 LEU QQD 90 THR QG2 3.806
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1312,1313,1314,1316,1317,1318,
igr2=1378,1379,1380,
&end
#
# 87 PHE QB 88 ALA H 3.542
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1326,1327,
&end
#
# 87 PHE QB 88 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1326,1327,
igr2=1346,1347,1348,
&end
#
# 88 ALA HA 91 LYS QG 5.489
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1393,1394,
&end
#
# 89 PHE HA 92 ARG QG 5.093
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1415,1416,
&end
#
# 91 LYS H 91 LYS QG 4.114
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1393,1394,
&end
#
# 91 LYS HA 91 LYS QG 3.366
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1393,1394,
&end
#
# 91 LYS QB 91 LYS QE 4.202
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1390,1391,
igr2=1399,1400,
&end
#
# 91 LYS QG 91 LYS QE 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1393,1394,
igr2=1399,1400,
&end
#
# 91 LYS QG 94 LEU HB2 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1393,1394,
&end
#
# 91 LYS QG 94 LEU QQD 5.214
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1393,1394,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 92 ARG H 92 ARG QB 4.059
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1412,1413,
&end
#
# 92 ARG H 92 ARG QD 4.917
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1418,1419,
&end
#
# 92 ARG HA 92 ARG QG 3.751
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1415,1416,
&end
#
# 92 ARG HA 92 ARG QD 4.609
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1418,1419,
&end
#
# 92 ARG QB 92 ARG QD 3.278
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1412,1413,
igr2=1418,1419,
&end
#
# 92 ARG QB 93 VAL H 4.114
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1412,1413,
&end
#
# 92 ARG QB 93 VAL QG2 5.214
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1=1412,1413,
igr2=1442,1443,1444,
&end
#
# 92 ARG QG 93 VAL H 5.423
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1415,1416,
&end
#
# 92 ARG QD 93 VAL QG2 5.874
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1=1418,1419,
igr2=1442,1443,1444,
&end
#
# 96 GLU H 96 GLU QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1478,1479,
&end
#
# 96 GLU QB 97 SER H 4.444
&rst
ixpk= 0, nxpk= 0, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1478,1479,
&end
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