NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
579335 |
2mke   |
19771 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 463 TRP QB 463 TRP HE1 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr1= 588, 589,
&end
#
# 453 PHE H 454 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 405, 425, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 453 PHE H 453 PHE QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 413, 421,
&end
#
# 447 CYS H 454 LYS H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 316, 425, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 447 CYS H 461 TRP HZ3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 316, 560, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 446 PHE QD 447 CYS H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 304, 312,
&end
#
# 446 PHE QB 447 CYS H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 300, 301,
&end
#
# 459 SER HB3 460 CYS H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 527, 533, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 460 CYS H 460 CYS HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 533, 538, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 437 ILE QG1 460 CYS H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 183, 184,
&end
#
# 437 ILE QG2 460 CYS H 5.8
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 179, 180, 181,
&end
#
# 460 CYS H 460 CYS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 533, 537, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 445 PHE HB3 446 PHE H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 281, 296, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 446 PHE H 476 LEU H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 296, 801, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 446 PHE H 446 PHE QB 3.8
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 300, 301,
&end
#
# 445 PHE HA 446 PHE H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 278, 296, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 446 PHE H 476 LEU QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 805, 806,
&end
#
# 446 PHE H 455 TYR QE 5.56
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 457, 462,
&end
#
# 447 CYS HA 448 ARG H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 448 ARG H 476 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 810, 811, 812,
&end
#
# 449 ASP H 450 GLN H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 350, 362, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 450 GLN H 450 GLN HB2 4
&rst
ixpk= 0, nxpk= 0, iat= 362, 366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 434 LEU H 434 LEU QD2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 140, 141, 142,
&end
#
# 433 SER HB3 434 LEU H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 434 LEU H 434 LEU HG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 127, 134, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 449 ASP H 451 VAL QG2 5.8
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 389, 390, 391,
&end
#
# 448 ARG H 449 ASP H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 326, 350, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 447 CYS HA 449 ASP H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 318, 350, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 448 ARG HA 449 ASP H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 328, 350, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 449 ASP H 449 ASP HB2 3.5
&rst
ixpk= 0, nxpk= 0, iat= 350, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 449 ASP H 449 ASP HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 350, 355, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 476 LEU H 476 LEU QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 810, 811, 812,
&end
#
# 461 TRP HH2 476 LEU H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 558, 801, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 476 LEU H 476 LEU QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 805, 806,
&end
#
# 476 LEU H 477 MET H 5.1
&rst
ixpk= 0, nxpk= 0, iat= 801, 820, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 467 MET HG3 468 GLU H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 668, 677, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 467 MET H 468 GLU H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 660, 677, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 467 MET HA 468 GLU H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 662, 677, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 476 LEU QB 477 MET H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 805, 806,
&end
#
# 472 HIS H 473 HIS H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 473 HIS H 473 HIS HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 473 HIS H 473 HIS HB3 3.5
&rst
ixpk= 0, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 472 HIS HD2 473 HIS H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 461 TRP HZ2 473 HIS H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 556, 759, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 436 HIS H 437 ILE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 156, 173, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 435 CYS H 436 HIS H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 146, 156, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 437 ILE H 437 ILE QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 183, 184,
&end
#
# 435 CYS H 435 CYS HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 146, 151, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 434 LEU HA 435 CYS H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 129, 146, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 435 CYS H 435 CYS HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 146, 150, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 434 LEU HB2 435 CYS H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 131, 146, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 434 LEU QD2 435 CYS H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 140, 141, 142,
&end
#
# 435 CYS H 443 GLY H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 146, 255, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 435 CYS H 456 PHE HA 5.8
&rst
ixpk= 0, nxpk= 0, iat= 146, 470, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 461 TRP H 461 TRP HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 543, 548, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 461 TRP H 462 HIS H 3.9
&rst
ixpk= 0, nxpk= 0, iat= 543, 567, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 461 TRP H 461 TRP HE3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 543, 562, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 461 TRP H 461 TRP HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 543, 547, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 460 CYS HA 463 TRP H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 535, 584, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 463 TRP H 463 TRP QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 588, 589,
&end
#
# 449 ASP HB3 452 CYS H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 355, 395, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 466 SER QB 467 MET H 3.6
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 653, 654,
&end
#
# 467 MET H 467 MET HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 660, 667, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 467 MET H 467 MET QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 664, 665,
&end
#
# 451 VAL QG1 452 CYS H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 385, 386, 387,
&end
#
# 451 VAL HB 452 CYS H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 451 VAL QG2 452 CYS H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 389, 390, 391,
&end
#
# 449 ASP HB2 452 CYS H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 354, 395, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 445 PHE HE1 458 ARG H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 286, 498, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 445 PHE QD 458 ARG H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 284, 292,
&end
#
# 457 CYS HA 458 ARG H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 490, 498, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 457 CYS HB2 458 ARG H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 457 CYS HB3 458 ARG H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 492, 498, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 458 ARG H 458 ARG QB 3.28
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 502, 503,
&end
#
# 458 ARG H 458 ARG QG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 505, 506,
&end
#
# 443 GLY QA 457 CYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 257, 258,
&end
#
# 457 CYS H 457 CYS HB3 4.2
&rst
ixpk= 0, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 462 HIS H 462 HIS QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 571, 572,
&end
#
# 461 TRP HD1 462 HIS H 4.7
&rst
ixpk= 0, nxpk= 0, iat= 551, 567, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 437 ILE QG1 438 CYS H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 183, 184,
&end
#
# 437 ILE H 438 CYS H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 173, 192, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 435 CYS HB2 438 CYS H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 151, 192, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 438 CYS H 440 SER H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 192, 213, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 440 SER H 441 GLN H 3.01
&rst
ixpk= 0, nxpk= 0, iat= 213, 224, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 439 SER H 441 GLN H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 202, 224, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 435 CYS HB3 441 GLN H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 150, 224, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 441 GLN H 441 GLN QG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 231, 232,
&end
#
# 441 GLN H 441 GLN HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 224, 229, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 434 LEU QD1 441 GLN H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 136, 137, 138,
&end
#
# 464 ARG H 464 ARG HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 608, 612, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 464 ARG H 464 ARG HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 608, 613, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 464 ARG H 464 ARG QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 615, 616,
&end
#
# 469 GLY H 470 LEU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 692, 699, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 470 LEU H 471 ARG QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 728, 729,
&end
#
# 470 LEU H 471 ARG QG 4.24
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 725, 726,
&end
#
# 470 LEU H 470 LEU HG 3.5
&rst
ixpk= 0, nxpk= 0, iat= 699, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 470 LEU H 470 LEU HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 460 CYS HA 464 ARG H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 535, 608, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 455 TYR QD 456 PHE H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 455, 464,
&end
#
# 473 HIS HB3 474 SER H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 764, 776, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 473 HIS HA 474 SER H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 761, 776, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 473 HIS HB2 474 SER H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 763, 776, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 455 TYR HA 456 PHE H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 449, 468, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 456 PHE H 456 PHE HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 468, 473, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 473 HIS H 474 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 759, 776, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 433 SER H 433 SER HB3 4.4
&rst
ixpk= 0, nxpk= 0, iat= 116, 121, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 438 CYS H 439 SER H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 439 SER H 440 SER H 3.8
&rst
ixpk= 0, nxpk= 0, iat= 202, 213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 437 ILE QG1 439 SER H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 183, 184,
&end
#
# 445 PHE H 457 CYS HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 276, 490, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 445 PHE H 445 PHE HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 276, 280, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 445 PHE H 457 CYS HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 276, 492, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 445 PHE H 445 PHE HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 276, 281, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 444 PRO HB2 445 PHE H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 444 PRO HG3 445 PHE H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 267, 276, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 445 PHE H 445 PHE QD 4.4
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 284, 292,
&end
#
# 433 SER H 433 SER HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 116, 120, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 437 ILE H 439 SER H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 173, 202, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 439 SER H 439 SER HA 3.06
&rst
ixpk= 0, nxpk= 0, iat= 202, 204, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 439 SER H 439 SER HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 435 CYS HB2 439 SER H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 151, 202, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 438 CYS HB2 439 SER H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 438 CYS HB3 439 SER H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 196, 202, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 470 LEU HB3 471 ARG H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 704, 718, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 471 ARG H 472 HIS H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 718, 742, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 470 LEU H 471 ARG H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 471 ARG H 471 ARG QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 728, 729,
&end
#
# 471 ARG H 471 ARG QG 3.28
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 725, 726,
&end
#
# 471 ARG H 473 HIS H 5.8
&rst
ixpk= 0, nxpk= 0, iat= 718, 759, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 459 SER H 460 CYS H 3.8
&rst
ixpk= 0, nxpk= 0, iat= 522, 533, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 458 ARG H 459 SER H 4
&rst
ixpk= 0, nxpk= 0, iat= 498, 522, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 458 ARG QB 459 SER H 3.9
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 502, 503,
&end
#
# 458 ARG QG 459 SER H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 505, 506,
&end
#
# 459 SER H 459 SER HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 441 GLN HE21 442 PRO HD2 5.75
&rst
ixpk= 0, nxpk= 0, iat= 237, 242, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 441 GLN HA 441 GLN HE21 5.58
&rst
ixpk= 0, nxpk= 0, iat= 226, 237, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 440 SER HB3 441 GLN HE21 5.08
&rst
ixpk= 0, nxpk= 0, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 440 SER HB2 441 GLN HE21 4.91
&rst
ixpk= 0, nxpk= 0, iat= 217, 237, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 441 GLN QG 441 GLN HE21 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 231, 232,
&end
#
# 441 GLN QG 441 GLN HE22 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 231, 232,
&end
#
# 454 LYS H 455 TYR H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 425, 447, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 438 CYS HB2 440 SER H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 197, 213, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 454 LYS H 456 PHE HE1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 425, 478, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 439 SER HA 440 SER H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 204, 213, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 440 SER H 440 SER HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 435 CYS HB3 440 SER H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 150, 213, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 434 LEU QD2 440 SER H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 140, 141, 142,
&end
#
# 434 LEU QD1 440 SER H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 136, 137, 138,
&end
#
# 435 CYS HB2 440 SER H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 151, 213, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 440 SER H 441 GLN QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 231, 232,
&end
#
# 454 LYS H 454 LYS QG 4.55
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 432, 433,
&end
#
# 451 VAL H 452 CYS H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 379, 395, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 450 GLN QG 451 VAL H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 369, 370,
&end
#
# 449 ASP HB3 451 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 355, 379, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 467 MET HG3 469 GLY H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 668, 692, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 465 HIS H 466 SER H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 632, 649, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 466 SER H 466 SER QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 653, 654,
&end
#
# 464 ARG HA 466 SER H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 610, 649, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 466 SER H 467 MET QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 664, 665,
&end
#
# 466 SER H 467 MET HG2 5.3
&rst
ixpk= 0, nxpk= 0, iat= 649, 667, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 450 GLN QG 450 GLN HE21 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 369, 370,
&end
#
# 465 HIS HB3 466 SER H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 637, 649, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 441 GLN HB2 443 GLY H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 228, 255, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 443 GLY H 444 PRO HD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 441 GLN H 443 GLY H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 224, 255, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 464 ARG H 465 HIS H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 608, 632, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 465 HIS H 465 HIS HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 632, 636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 465 HIS H 465 HIS HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 632, 637, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 464 ARG HB3 465 HIS H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 613, 632, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 464 ARG HB2 465 HIS H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 612, 632, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 462 HIS HA 465 HIS H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 569, 632, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 465 HIS H 470 LEU QD1 5.73
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 708, 709, 710,
&end
#
# 435 CYS H 443 GLY QA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 257, 258,
&end
#
# 456 PHE HB2 461 TRP HE3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 472, 562, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 456 PHE HB3 461 TRP HE3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 473, 562, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 446 PHE HE1 448 ARG QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 336, 337,
&end
#
# 448 ARG H 448 ARG QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 336, 337,
&end
#
# 448 ARG HA 448 ARG QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 336, 337,
&end
#
# 448 ARG QG 448 ARG QD 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 333, 334,
igr2= 336, 337,
&end
#
# 448 ARG QB 448 ARG QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 330, 331,
igr2= 336, 337,
&end
#
# 446 PHE QB 476 LEU QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 300, 301,
igr2= 805, 806,
&end
#
# 449 ASP HB2 451 VAL H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 354, 379, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 434 LEU H 434 LEU HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 127, 131, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 434 LEU HB2 434 LEU QD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 140, 141, 142,
&end
#
# 434 LEU HB2 434 LEU QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 136, 137, 138,
&end
#
# 434 LEU HB3 435 CYS H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 132, 146, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 434 LEU HB3 434 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 140, 141, 142,
&end
#
# 434 LEU H 434 LEU HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 127, 132, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 470 LEU H 470 LEU HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 465 HIS HA 470 LEU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 634, 703, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 470 LEU HB2 470 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 708, 709, 710,
&end
#
# 465 HIS HA 470 LEU HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 634, 704, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 464 ARG HD2 470 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 708, 709, 710,
&end
#
# 464 ARG HD3 470 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 708, 709, 710,
&end
#
# 455 TYR HB2 456 PHE H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 451, 468, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 455 TYR H 455 TYR HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 454 LYS HB3 456 PHE HE1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 430, 478, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 454 LYS HB2 455 TYR H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 429, 447, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 468 GLU HB3 468 GLU QG 2.83
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 684, 685,
&end
#
# 468 GLU H 468 GLU QG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 684, 685,
&end
#
# 437 ILE HB 460 CYS HB3 4.4
&rst
ixpk= 0, nxpk= 0, iat= 177, 537, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 437 ILE H 437 ILE HB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 173, 177, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 437 ILE HB 438 CYS H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 177, 192, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 437 ILE HB 460 CYS HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 177, 538, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 450 GLN H 450 GLN QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 369, 370,
&end
#
# 450 GLN QG 451 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 369, 370,
igr2= 385, 386, 387,
&end
#
# 440 SER H 441 GLN HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 213, 231, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 441 GLN H 441 GLN HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 224, 231, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 441 GLN HA 441 GLN HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 226, 231, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 441 GLN HG2 442 PRO HD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 231, 242, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 441 GLN HA 441 GLN HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 226, 232, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 444 PRO HB2 445 PHE HE1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 269, 286, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 442 PRO QB 443 GLY H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 248, 249,
&end
#
# 467 MET QB 467 MET HG2 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 664, 665,
&end
#
# 467 MET H 467 MET HG3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 660, 668, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 437 ILE QG2 438 CYS HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 179, 180, 181,
&end
#
# 467 MET HG2 470 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 708, 709, 710,
&end
#
# 467 MET HA 467 MET HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 662, 667, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 467 MET HG2 469 GLY QA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 694, 695,
&end
#
# 467 MET HG3 469 GLY QA 3.81
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 694, 695,
&end
#
# 438 CYS H 438 CYS HB3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 192, 196, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 435 CYS HB2 441 GLN H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 151, 224, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 475 PRO HB2 476 LEU H 4.8
&rst
ixpk= 0, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 451 VAL HB 470 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 708, 709, 710,
&end
#
# 447 CYS HB2 461 TRP HZ3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 321, 560, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 447 CYS HB2 454 LYS H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 321, 425, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 437 ILE QG1 460 CYS HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 183, 184,
&end
#
# 437 ILE QG1 460 CYS HB3 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 183, 184,
&end
#
# 437 ILE QG2 460 CYS HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 179, 180, 181,
&end
#
# 441 GLN HB2 442 PRO HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 228, 243, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 441 GLN HB3 442 PRO HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 229, 242, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 441 GLN HB3 441 GLN HG3 3.15
&rst
ixpk= 0, nxpk= 0, iat= 229, 232, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 441 GLN H 441 GLN HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 224, 228, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 445 PHE HE1 458 ARG QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 502, 503,
&end
#
# 459 SER HA 462 HIS QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 571, 572,
&end
#
# 471 ARG H 471 ARG QB 4.1
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 722, 723,
&end
#
# 464 ARG HB3 465 HIS HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 613, 634, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 468 GLU HB2 468 GLU QG 2.92
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 684, 685,
&end
#
# 468 GLU H 468 GLU HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 468 GLU H 468 GLU HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 677, 682, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 463 TRP QB 464 ARG H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 588, 589,
&end
#
# 463 TRP QB 463 TRP HZ3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 588, 589,
&end
#
# 450 GLN H 450 GLN QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 366, 367,
&end
#
# 450 GLN QB 450 GLN QG 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 366, 367,
igr2= 369, 370,
&end
#
# 437 ILE QG1 456 PHE QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 183, 184,
igr2= 476, 484,
&end
#
# 434 LEU QD1 442 PRO HG3 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 136, 137, 138,
&end
#
# 461 TRP HB3 462 HIS H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 548, 567, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 461 TRP HB3 462 HIS HE1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 548, 576, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 470 LEU HG 471 ARG H 5.53
&rst
ixpk= 0, nxpk= 0, iat= 706, 718, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 458 ARG HA 458 ARG QG 3.75
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 505, 506,
&end
#
# 458 ARG QB 458 ARG QG 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 502, 503,
igr2= 505, 506,
&end
#
# 434 LEU HA 434 LEU HG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 444 PRO HG2 457 CYS HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 266, 490, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 444 PRO HG2 445 PHE HE1 4.9
&rst
ixpk= 0, nxpk= 0, iat= 266, 286, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 444 PRO HG3 457 CYS HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 267, 490, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 462 HIS HA 465 HIS HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 569, 637, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 462 HIS HA 465 HIS HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 569, 636, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 448 ARG H 476 LEU QD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 814, 815, 816,
&end
#
# 476 LEU QD2 477 MET H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 814, 815, 816,
&end
#
# 446 PHE QD 476 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 304, 312,
igr2= 814, 815, 816,
&end
#
# 448 ARG QD 476 LEU QD2 3.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 336, 337,
igr2= 814, 815, 816,
&end
#
# 446 PHE QB 476 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 300, 301,
igr2= 814, 815, 816,
&end
#
# 476 LEU QB 476 LEU QD2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 805, 806,
igr2= 814, 815, 816,
&end
#
# 434 LEU QD2 441 GLN H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 140, 141, 142,
&end
#
# 464 ARG HB2 470 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 708, 709, 710,
&end
#
# 470 LEU HB3 470 LEU QD1 3.31
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 708, 709, 710,
&end
#
# 446 PHE QD 476 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 304, 312,
igr2= 810, 811, 812,
&end
#
# 448 ARG QD 476 LEU QD1 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 336, 337,
igr2= 810, 811, 812,
&end
#
# 476 LEU QB 476 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 805, 806,
igr2= 810, 811, 812,
&end
#
# 438 CYS HB3 440 SER HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 196, 217, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 440 SER H 440 SER HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 440 SER HB3 441 GLN H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 218, 224, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 440 SER HB2 441 GLN H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 217, 224, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 460 CYS HA 463 TRP HD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 535, 592, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 460 CYS HA 463 TRP QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 588, 589,
&end
#
# 437 ILE QG2 460 CYS HA 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 179, 180, 181,
&end
#
# 474 SER H 474 SER HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 776, 780, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 474 SER H 474 SER HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 776, 781, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 434 LEU QD1 443 GLY H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 136, 137, 138,
&end
#
# 434 LEU QD1 435 CYS H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 136, 137, 138,
&end
#
# 434 LEU H 434 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 136, 137, 138,
&end
#
# 434 LEU QD1 441 GLN HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 136, 137, 138,
&end
#
# 434 LEU HA 434 LEU QD1 3.18
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 136, 137, 138,
&end
#
# 434 LEU QD1 442 PRO QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 136, 137, 138,
igr2= 248, 249,
&end
#
# 434 LEU HB3 434 LEU QD1 3.51
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 136, 137, 138,
&end
#
# 433 SER HB2 434 LEU H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 120, 127, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 434 LEU QD1 442 PRO HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 136, 137, 138,
&end
#
# 434 LEU QD2 442 PRO HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 140, 141, 142,
&end
#
# 466 SER QB 467 MET QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 653, 654,
igr2= 671, 672, 673,
&end
#
# 451 VAL H 451 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 385, 386, 387,
&end
#
# 451 VAL HA 451 VAL QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 385, 386, 387,
&end
#
# 451 VAL QG1 470 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 385, 386, 387,
igr2= 708, 709, 710,
&end
#
# 444 PRO HA 445 PHE HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 272, 278, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 451 VAL HA 451 VAL HB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 381, 383, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 450 GLN QB 451 VAL QG1 4.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 366, 367,
igr2= 385, 386, 387,
&end
#
# 475 PRO HA 476 LEU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 797, 801, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 459 SER HB2 460 CYS H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 526, 533, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 459 SER HA 459 SER HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 524, 526, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 459 SER HB3 460 CYS HB3 4.3
&rst
ixpk= 0, nxpk= 0, iat= 527, 537, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 434 LEU HB2 439 SER HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 131, 206, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 458 ARG H 459 SER HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 498, 526, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 459 SER H 459 SER HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat= 522, 527, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 459 SER HA 459 SER HB3 3.18
&rst
ixpk= 0, nxpk= 0, iat= 524, 527, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 439 SER HA 439 SER HB2 3.2
&rst
ixpk= 0, nxpk= 0, iat= 204, 206, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 434 LEU QD2 439 SER HB2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 140, 141, 142,
&end
#
# 434 LEU QD1 439 SER HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 136, 137, 138,
&end
#
# 439 SER HB3 440 SER H 4.9
&rst
ixpk= 0, nxpk= 0, iat= 207, 213, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 434 LEU QD2 439 SER HB3 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 140, 141, 142,
&end
#
# 434 LEU HB3 439 SER HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 132, 207, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 434 LEU QD1 439 SER HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 136, 137, 138,
&end
#
# 451 VAL H 451 VAL QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 389, 390, 391,
&end
#
# 451 VAL QG2 470 LEU QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 389, 390, 391,
igr2= 708, 709, 710,
&end
#
# 434 LEU HB3 439 SER HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 132, 206, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 434 LEU HB2 439 SER HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 131, 207, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 458 ARG QG 459 SER HA 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 505, 506,
&end
#
# 459 SER HA 462 HIS H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 524, 567, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 437 ILE HA 437 ILE QD1 3
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 186, 187, 188,
&end
#
# 437 ILE HA 437 ILE QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 183, 184,
&end
#
# 463 TRP HA 463 TRP HD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 586, 592, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 445 PHE QD 458 ARG HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 284, 292,
&end
#
# 435 CYS HA 436 HIS H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 148, 156, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 435 CYS HA 456 PHE HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 148, 470, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 437 ILE H 437 ILE QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 179, 180, 181,
&end
#
# 437 ILE QG2 463 TRP HH2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 179, 180, 181,
&end
#
# 437 ILE QG2 463 TRP HE3 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 179, 180, 181,
&end
#
# 437 ILE QG2 438 CYS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 179, 180, 181,
&end
#
# 437 ILE QG2 437 ILE QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 179, 180, 181,
igr2= 183, 184,
&end
#
# 437 ILE QG2 438 CYS H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 179, 180, 181,
&end
#
# 437 ILE HA 437 ILE QG2 3.5
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 179, 180, 181,
&end
#
# 462 HIS HA 462 HIS QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 571, 572,
&end
#
# 450 GLN HA 450 GLN QG 3.62
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 369, 370,
&end
#
# 450 GLN HA 450 GLN QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 366, 367,
&end
#
# 465 HIS HA 467 MET QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 671, 672, 673,
&end
#
# 464 ARG HD3 467 MET QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 671, 672, 673,
&end
#
# 466 SER HA 466 SER QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 653, 654,
&end
#
# 450 GLN HA 452 CYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 364, 395, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 464 ARG HA 467 MET QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 671, 672, 673,
&end
#
# 467 MET HG2 467 MET QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 671, 672, 673,
&end
#
# 467 MET QE 470 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 671, 672, 673,
igr2= 708, 709, 710,
&end
#
# 440 SER HA 441 GLN H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 215, 224, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 434 LEU QD1 440 SER HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 136, 137, 138,
&end
#
# 468 GLU HA 470 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 679, 699, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 467 MET HA 468 GLU HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= 662, 679, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 468 GLU HA 468 GLU QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 684, 685,
&end
#
# 468 GLU HA 468 GLU HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 679, 682, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 455 TYR HA 455 TYR QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 455, 464,
&end
#
# 455 TYR HA 456 PHE QD 4.8
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 476, 484,
&end
#
# 446 PHE QD 455 TYR HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 304, 312,
&end
#
# 447 CYS HA 448 ARG QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 330, 331,
&end
#
# 471 ARG HA 471 ARG QG 3.29
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 725, 726,
&end
#
# 443 GLY QA 457 CYS HA 4.2
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 257, 258,
&end
#
# 445 PHE QD 457 CYS HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 284, 292,
&end
#
# 447 CYS HA 461 TRP HZ3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 318, 560, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 444 PRO HD3 457 CYS HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= 264, 490, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 433 SER HA 434 LEU H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 118, 127, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 464 ARG HA 464 ARG HD3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 610, 619, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 464 ARG HA 470 LEU QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 708, 709, 710,
&end
#
# 456 PHE HA 456 PHE QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 476, 484,
&end
#
# 456 PHE HA 457 CYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 470, 488, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 435 CYS HB3 456 PHE HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 150, 470, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 446 PHE HA 446 PHE QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 304, 312,
&end
#
# 446 PHE QD 448 ARG HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 304, 312,
&end
#
# 446 PHE HE1 448 ARG HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= 306, 328, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 448 ARG HA 448 ARG QG 3.76
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 333, 334,
&end
#
# 473 HIS HA 474 SER HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 761, 778, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 467 MET HA 467 MET QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 664, 665,
&end
#
# 474 SER HA 475 PRO HD2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 778, 788, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 474 SER HA 475 PRO HG3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 778, 792, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 474 SER HA 475 PRO HD3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 778, 789, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 434 LEU HA 442 PRO QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 248, 249,
&end
#
# 477 MET HA 478 ARG QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 841, 842,
&end
#
# 434 LEU HA 443 GLY H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 129, 255, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 470 LEU HA 471 ARG QG 5.24
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 725, 726,
&end
#
# 454 LYS HA 455 TYR H 3.74
&rst
ixpk= 0, nxpk= 0, iat= 427, 447, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 441 GLN HA 442 PRO HD2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 226, 242, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 441 GLN HA 442 PRO HD3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 226, 243, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 437 ILE H 437 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 186, 187, 188,
&end
#
# 437 ILE HB 437 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 186, 187, 188,
&end
#
# 437 ILE QD1 456 PHE QD 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 186, 187, 188,
igr2= 476, 484,
&end
#
# 444 PRO HD2 457 CYS HA 4.2
&rst
ixpk= 0, nxpk= 0, iat= 263, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 444 PRO HD2 445 PHE H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 263, 276, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 443 GLY H 444 PRO HD3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 255, 264, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 434 LEU QD1 442 PRO HD3 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 136, 137, 138,
&end
#
# 444 PRO HD3 445 PHE QD 5.09
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 284, 292,
&end
#
# 441 GLN HB2 442 PRO HD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 228, 242, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 461 TRP HZ2 475 PRO HD3 4.8
&rst
ixpk= 0, nxpk= 0, iat= 556, 789, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 462 HIS HA 462 HIS HE1 5.8
&rst
ixpk= 0, nxpk= 0, iat= 569, 576, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 461 TRP HD1 462 HIS HE1 5.42
&rst
ixpk= 0, nxpk= 0, iat= 551, 576, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 446 PHE QE 455 TYR QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 306, 310,
igr2= 455, 464,
&end
#
# 443 GLY QA 455 TYR QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 257, 258,
igr2= 455, 464,
&end
#
# 446 PHE QD 455 TYR QD 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 304, 312,
igr2= 455, 464,
&end
#
# 456 PHE H 456 PHE QD 4.4
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 476, 484,
&end
#
# 454 LYS HB2 456 PHE QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 476, 484,
&end
#
# 456 PHE QD 457 CYS H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 476, 484,
&end
#
# 453 PHE HA 453 PHE QD 4.11
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 413, 421,
&end
#
# 445 PHE HA 445 PHE QE 5.59
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 286, 290,
&end
#
# 446 PHE QD 476 LEU QB 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 304, 312,
igr2= 805, 806,
&end
#
# 445 PHE QE 458 ARG H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 286, 290,
&end
#
# 445 PHE QE 458 ARG HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 286, 290,
&end
#
# 445 PHE QE 458 ARG QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 286, 290,
igr2= 502, 503,
&end
#
# 456 PHE HA 456 PHE QE 5.8
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 478, 482,
&end
#
# 437 ILE QG1 456 PHE QE 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 183, 184,
igr2= 478, 482,
&end
#
# 445 PHE QD 458 ARG QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 284, 292,
igr2= 502, 503,
&end
#
# 445 PHE HA 445 PHE QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 284, 292,
&end
#
# 446 PHE QE 448 ARG HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 306, 310,
&end
#
# 445 PHE HZ 458 ARG QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 502, 503,
&end
#
# 445 PHE QD 445 PHE HZ 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 284, 292,
&end
#
# 437 ILE QD1 456 PHE HZ 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 186, 187, 188,
&end
#
# 463 TRP H 463 TRP HD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 584, 592, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 461 TRP HD1 462 HIS HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 551, 569, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 461 TRP HH2 473 HIS HB2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 558, 763, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 461 TRP HH2 475 PRO HD3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 558, 789, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 461 TRP HH2 475 PRO HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 558, 797, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 461 TRP HZ3 475 PRO HA 5.73
&rst
ixpk= 0, nxpk= 0, iat= 560, 797, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 462 HIS H 462 HIS HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 459 SER HA 462 HIS HD2 5.75
&rst
ixpk= 0, nxpk= 0, iat= 524, 580, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 462 HIS QB 462 HIS HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 571, 572,
&end
#
# 458 ARG QG 462 HIS HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 505, 506,
&end
#
# 459 SER H 462 HIS HD2 5.73
&rst
ixpk= 0, nxpk= 0, iat= 522, 580, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 458 ARG QB 462 HIS HD2 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 502, 503,
&end
#
# 437 ILE QG1 463 TRP HZ3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 183, 184,
&end
#
# 460 CYS HA 463 TRP HZ3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 535, 601, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 437 ILE QG2 463 TRP HZ3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 179, 180, 181,
&end
#
# 461 TRP HA 461 TRP HE3 5.56
&rst
ixpk= 0, nxpk= 0, iat= 545, 562, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 436 HIS H 436 HIS HD2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 156, 169, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 436 HIS HA 436 HIS HD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 158, 169, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 446 PHE QD 455 TYR QE 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 304, 312,
igr2= 457, 462,
&end
#
# 446 PHE QB 455 TYR QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 300, 301,
igr2= 457, 462,
&end
#
# 472 HIS H 472 HIS HD2 5.8
&rst
ixpk= 0, nxpk= 0, iat= 742, 755, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 472 HIS HB2 472 HIS HD2 4.2
&rst
ixpk= 0, nxpk= 0, iat= 746, 755, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 472 HIS HD2 473 HIS HA 5.7
&rst
ixpk= 0, nxpk= 0, iat= 755, 761, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 461 TRP HZ2 473 HIS HA 5.8
&rst
ixpk= 0, nxpk= 0, iat= 556, 761, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 461 TRP HZ2 475 PRO HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 556, 797, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 461 TRP HZ2 473 HIS HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 556, 763, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 461 TRP HZ2 473 HIS HB3 5.63
&rst
ixpk= 0, nxpk= 0, iat= 556, 764, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 445 PHE H 456 PHE H 4.8
&rst
ixpk= 0, nxpk= 0, iat= 276, 468, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 476 LEU H 446 PHE H 4.8
&rst
ixpk= 0, nxpk= 0, iat= 801, 296, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 476 LEU H 475 PRO HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 801, 797, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 446 PHE H 477 MET HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 296, 822, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 456 PHE H 455 TYR HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 468, 449, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 454 LYS H 453 PHE HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 425, 407, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 448 ARG H 447 CYS HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 326, 318, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 447 CYS H 446 PHE HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 316, 298, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 446 PHE H 445 PHE HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 296, 278, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 455 TYR H 454 LYS HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 447, 427, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 478 ARG H 477 MET HA 4.8
&rst
ixpk= 0, nxpk= 0, iat= 837, 822, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 454 LYS QG 456 PHE HZ 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 432, 433,
&end
#
# 454 LYS HB2 456 PHE HZ 4.8
&rst
ixpk= 0, nxpk= 0, iat= 429, 480, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 454 LYS HB3 456 PHE HZ 4.8
&rst
ixpk= 0, nxpk= 0, iat= 430, 480, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 465 HIS ND1 461 TRP HA 4.5
&rst
ixpk= 0, nxpk= 0, iat= 639, 545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 473 HIS H 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 759, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 473 HIS HE1 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 768, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 470 LEU QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 708, 709, 710,
&end
#
# 465 HIS HD2 470 LEU HB2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 470 LEU HB3 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 470 LEU HG 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 473 HIS HB2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 473 HIS HB3 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 465 HIS HB2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 465 HIS HD2 465 HIS HB3 4.5
&rst
ixpk= 0, nxpk= 0, iat= 645, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 473 HIS H 473 HIS HD2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 759, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 473 HIS HE1 470 LEU QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 708, 709, 710,
&end
#
# 473 HIS HE1 470 LEU HG 4.5
&rst
ixpk= 0, nxpk= 0, iat= 768, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 473 HIS HE1 470 LEU HB2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 768, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 473 HIS HE1 470 LEU HB3 4.5
&rst
ixpk= 0, nxpk= 0, iat= 768, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 472 HIS HE1 473 HIS HD2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 751, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 472 HIS HE1 470 LEU QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 708, 709, 710,
&end
#
# 472 HIS HE1 470 LEU HG 4.5
&rst
ixpk= 0, nxpk= 0, iat= 751, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 445 PHE H 456 PHE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 276, 486, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 456 PHE H 445 PHE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 468, 294, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 462 HIS H 458 ARG O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 567, 520, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 463 TRP H 459 SER O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 584, 531, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 464 ARG H 460 CYS O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 608, 541, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 465 HIS H 461 TRP O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 632, 565, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 445 PHE N 456 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 275, 486, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 456 PHE N 445 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 467, 294, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 462 HIS N 458 ARG O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 566, 520, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 463 TRP N 459 SER O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 583, 531, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 464 ARG N 460 CYS O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 607, 541, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 465 HIS N 461 TRP O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 631, 565, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
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