# ---------------------------------------------------------- # Converting upl.dist to Amber upper bounds # ---------------------------------------------------------- # # 347 TRP HE1 351 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat=5357,5430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, rk2=20, rk3=20, ir6=1, ialtd=0, / # # 347 TRP HE1 351 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat=5357,5429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 347 TRP HE1 351 LYS HG3 4.460 &rst ixpk= 0, nxpk= 0, iat=5357,5424, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 369 GLU HG3 370 ALA H 5.200 &rst ixpk= 0, nxpk= 0, iat=5749,5756, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 369 GLU H 370 ALA H 2.950 &rst ixpk= 0, nxpk= 0, iat=5741,5756, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 367 TYR HA 370 ALA H 4.310 &rst ixpk= 0, nxpk= 0, iat=5703,5756, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 366 LYS HA 370 ALA H 4.480 &rst ixpk= 0, nxpk= 0, iat=5681,5756, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 369 GLU HG2 370 ALA H 5.000 &rst ixpk= 0, nxpk= 0, iat=5748,5756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 369 GLU HB3 370 ALA H 4.190 &rst ixpk= 0, nxpk= 0, iat=5746,5756, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 369 GLU HB2 370 ALA H 4.160 &rst ixpk= 0, nxpk= 0, iat=5745,5756, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, / # # 366 LYS QB 370 ALA H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=5683,5684, / # # 310 SER H 311 ARG H 3.910 &rst ixpk= 0, nxpk= 0, iat=4733,4744, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 311 ARG H 312 GLY H 3.540 &rst ixpk= 0, nxpk= 0, iat=4744,4768, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 311 ARG H 311 ARG QB 3.740 &rst ixpk= 0, nxpk= 0, iat=4744, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=4748,4749, / # # 307 ILE QD1 311 ARG H 5.320 &rst ixpk= 0, nxpk= 0, iat= -1,4744, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=4691,4692,4693, / # # 314 TRP HE1 318 LEU QD2 4.390 &rst ixpk= 0, nxpk= 0, iat=4797, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=4876,4877,4878, / # # 345 GLU H 347 TRP H 4.750 &rst ixpk= 0, nxpk= 0, iat=5310,5347, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 344 ASN HA 345 GLU H 3.190 &rst ixpk= 0, nxpk= 0, iat=5298,5310, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, / # # 344 ASN HB2 345 GLU H 4.930 &rst ixpk= 0, nxpk= 0, iat=5300,5310, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 345 GLU H 345 GLU QG 4.460 &rst ixpk= 0, nxpk= 0, iat=5310, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=5317,5318, / # # 345 GLU H 345 GLU QB 3.520 &rst ixpk= 0, nxpk= 0, iat=5310, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=5314,5315, / # # 344 ASN HB3 345 GLU H 4.910 &rst ixpk= 0, nxpk= 0, iat=5301,5310, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 361 TRP HB3 361 TRP HE1 4.910 &rst ixpk= 0, nxpk= 0, iat=5595,5600, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 266 GLU HG3 361 TRP HE1 4.330 &rst ixpk= 0, nxpk= 0, iat=4013,5600, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 361 TRP HE1 365 LYS QD 3.240 &rst ixpk= 0, nxpk= 0, iat=5600, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=5667,5668, / # # 263 LEU QQD 361 TRP HE1 4.060 &rst ixpk= 0, nxpk= 0, iat=3946,5600, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, / # # 361 TRP HE1 365 LYS QB 4.660 &rst ixpk= 0, nxpk= 0, iat=5600, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=5661,5662, / # # 267 LEU QD2 361 TRP HE1 4.240 &rst ixpk= 0, nxpk= 0, iat= -1,5600, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=4033,4034,4035, / # # 266 GLU HG2 361 TRP HE1 4.330 &rst ixpk= 0, nxpk= 0, iat=4012,5600, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 344 ASN H 345 GLU H 4.610 &rst ixpk= 0, nxpk= 0, iat=5296,5310, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 344 ASN H 344 ASN HB3 4.050 &rst ixpk= 0, nxpk= 0, iat=5296,5301, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, / # # 344 ASN H 344 ASN HB2 3.950 &rst ixpk= 0, nxpk= 0, iat=5296,5300, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 343 GLU QB 344 ASN H 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,5296, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=5285,5286, / # # 358 SER H 360 ALA H 4.830 &rst ixpk= 0, nxpk= 0, iat=5547,5580, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 360 ALA H 362 SER H 4.660 &rst ixpk= 0, nxpk= 0, iat=5580,5614, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 360 ALA H 363 VAL H 5.030 &rst ixpk= 0, nxpk= 0, iat=5580,5625, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, / # # 314 TRP HZ3 360 ALA H 3.350 &rst ixpk= 0, nxpk= 0, iat=4804,5580, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, / # # 356 THR HA 360 ALA H 4.090 &rst ixpk= 0, nxpk= 0, iat=5516,5580, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 357 LEU HA 360 ALA H 4.240 &rst ixpk= 0, nxpk= 0, iat=5530,5580, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 359 LYS QB 360 ALA H 3.540 &rst ixpk= 0, nxpk= 0, iat= -1,5580, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr1=5562,5563, / # # 359 LYS HG3 360 ALA H 4.710 &rst ixpk= 0, nxpk= 0, iat=5566,5580, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 356 THR QG2 360 ALA H 4.450 &rst ixpk= 0, nxpk= 0, iat= -1,5580, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=5520,5521,5522, / # # 360 ALA H 360 ALA QB 2.850 &rst ixpk= 0, nxpk= 0, iat=5580, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=5584,5585,5586, / # # 317 ILE QG2 360 ALA H 4.920 &rst ixpk= 0, nxpk= 0, iat= -1,5580, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1=4850,4851,4852, / # # 321 MET HA 325 VAL H 4.620 &rst ixpk= 0, nxpk= 0, iat=4924,4985, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, / # # 323 HID HB3 325 VAL H 4.770 &rst ixpk= 0, nxpk= 0, iat=4966,4985, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 325 VAL H 325 VAL HB 3.430 &rst ixpk= 0, nxpk= 0, iat=4985,4989, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, / # # 320 LEU HB3 325 VAL H 4.380 &rst ixpk= 0, nxpk= 0, iat=4908,4985, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 325 VAL H 325 VAL QG1 3.930 &rst ixpk= 0, nxpk= 0, iat=4985, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=4991,4992,4993, / # # 323 HID HB2 325 VAL H 4.740 &rst ixpk= 0, nxpk= 0, iat=4965,4985, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 353 PHE H 354 VAL H 4.100 &rst ixpk= 0, nxpk= 0, iat=5459,5479, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 349 THR HA 353 PHE H 4.710 &rst ixpk= 0, nxpk= 0, iat=5387,5459, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 353 PHE H 353 PHE HB2 3.550 &rst ixpk= 0, nxpk= 0, iat=5459,5463, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 352 TYR HB3 353 PHE H 3.470 &rst ixpk= 0, nxpk= 0, iat=5443,5459, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 341 ALA HA 353 PHE H 4.840 &rst ixpk= 0, nxpk= 0, iat=5251,5459, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 350 GLN QB 353 PHE H 5.390 &rst ixpk= 0, nxpk= 0, iat= -1,5459, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=5403,5404, / # # 308 ASP H 309 ARG H 4.860 &rst ixpk= 0, nxpk= 0, iat=4697,4709, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 308 ASP H 311 ARG H 5.230 &rst ixpk= 0, nxpk= 0, iat=4697,4744, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, / # # 307 ILE HA 308 ASP H 3.150 &rst ixpk= 0, nxpk= 0, iat=4680,4697, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, / # # 308 ASP H 308 ASP HB3 3.840 &rst ixpk= 0, nxpk= 0, iat=4697,4702, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 308 ASP H 308 ASP HB2 3.840 &rst ixpk= 0, nxpk= 0, iat=4697,4701, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 307 ILE QG1 308 ASP H 2.960 &rst ixpk= 0, nxpk= 0, iat= -1,4697, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr1=4688,4689, / # # 307 ILE QG2 308 ASP H 3.650 &rst ixpk= 0, nxpk= 0, iat= -1,4697, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=4684,4685,4686, / # # 307 ILE QD1 308 ASP H 4.160 &rst ixpk= 0, nxpk= 0, iat= -1,4697, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=4691,4692,4693, / # # 308 ASP H 312 GLY H 4.880 &rst ixpk= 0, nxpk= 0, iat=4697,4768, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 302 TYR HB3 308 ASP H 5.500 &rst ixpk= 0, nxpk= 0, iat=4610,4697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 345 GLU H 346 LYS H 3.720 &rst ixpk= 0, nxpk= 0, iat=5310,5325, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 346 LYS H 347 TRP HA 5.410 &rst ixpk= 0, nxpk= 0, iat=5325,5349, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 344 ASN HA 346 LYS H 3.810 &rst ixpk= 0, nxpk= 0, iat=5298,5325, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 346 LYS H 346 LYS QE 5.030 &rst ixpk= 0, nxpk= 0, iat=5325, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr2=5338,5339, / # # 345 GLU QG 346 LYS H 4.580 &rst ixpk= 0, nxpk= 0, iat= -1,5325, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=5317,5318, / # # 345 GLU QB 346 LYS H 3.850 &rst ixpk= 0, nxpk= 0, iat= -1,5325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1=5314,5315, / # # 263 LEU H 264 ARG H 3.470 &rst ixpk= 0, nxpk= 0, iat=3940,3959, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 261 GLU H 263 LEU H 4.580 &rst ixpk= 0, nxpk= 0, iat=3910,3940, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, / # # 263 LEU H 264 ARG HA 5.480 &rst ixpk= 0, nxpk= 0, iat=3940,3961, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, / # # 262 GLU HG3 263 LEU H 4.940 &rst ixpk= 0, nxpk= 0, iat=3933,3940, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 262 GLU HG2 263 LEU H 4.940 &rst ixpk= 0, nxpk= 0, iat=3932,3940, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 262 GLU QB 263 LEU H 3.220 &rst ixpk= 0, nxpk= 0, iat= -1,3940, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr1=3929,3930, / # # 263 LEU H 263 LEU HB3 3.320 &rst ixpk= 0, nxpk= 0, iat=3940,3945, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 263 LEU H 263 LEU HB2 3.320 &rst ixpk= 0, nxpk= 0, iat=3940,3944, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 263 LEU H 263 LEU QQD 3.880 &rst ixpk= 0, nxpk= 0, iat=3940,3946, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, / # # 301 THR H 302 TYR H 4.920 &rst ixpk= 0, nxpk= 0, iat=4591,4605, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 302 TYR H 302 TYR QD 4.120 &rst ixpk= 0, nxpk= 0, iat=4605, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=4613,4622, / # # 301 THR HB 302 TYR H 3.290 &rst ixpk= 0, nxpk= 0, iat=4595,4605, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, / # # 301 THR HA 302 TYR H 3.440 &rst ixpk= 0, nxpk= 0, iat=4593,4605, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, / # # 302 TYR H 303 ALA HA 5.500 &rst ixpk= 0, nxpk= 0, iat=4605,4628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 302 TYR H 302 TYR HB3 3.920 &rst ixpk= 0, nxpk= 0, iat=4605,4610, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, / # # 302 TYR H 302 TYR HB2 3.880 &rst ixpk= 0, nxpk= 0, iat=4605,4609, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 302 TYR H 336 PRO HB2 4.770 &rst ixpk= 0, nxpk= 0, iat=4605,5173, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 302 TYR H 336 PRO HB3 4.490 &rst ixpk= 0, nxpk= 0, iat=4605,5174, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 302 TYR H 336 PRO HG2 4.460 &rst ixpk= 0, nxpk= 0, iat=4605,5170, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 276 VAL H 278 LYS H 4.470 &rst ixpk= 0, nxpk= 0, iat=4167,4198, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 275 PRO HA 276 VAL H 2.990 &rst ixpk= 0, nxpk= 0, iat=4163,4167, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, / # # 276 VAL H 330 LYS HA 5.110 &rst ixpk= 0, nxpk= 0, iat=4167,5055, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, / # # 276 VAL H 276 VAL HB 2.840 &rst ixpk= 0, nxpk= 0, iat=4167,4171, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 276 VAL H 279 ILE QD1 3.800 &rst ixpk= 0, nxpk= 0, iat=4167, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=4233,4234,4235, / # # 276 VAL H 279 ILE H 5.220 &rst ixpk= 0, nxpk= 0, iat=4167,4220, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 286 LYS H 287 SER H 4.260 &rst ixpk= 0, nxpk= 0, iat=4334,4356, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, / # # 285 THR HA 286 LYS H 3.370 &rst ixpk= 0, nxpk= 0, iat=4322,4334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, / # # 284 CYX HA 286 LYS H 4.230 &rst ixpk= 0, nxpk= 0, iat=4312,4334, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, / # # 284 CYX QB 286 LYS H 5.380 &rst ixpk= 0, nxpk= 0, iat= -1,4334, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=4314,4315, / # # 286 LYS H 286 LYS HB2 3.250 &rst ixpk= 0, nxpk= 0, iat=4334,4338, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, / # # 286 LYS H 286 LYS HG2 4.270 &rst ixpk= 0, nxpk= 0, iat=4334,4341, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 283 ILE QG2 286 LYS H 5.380 &rst ixpk= 0, nxpk= 0, iat= -1,4334, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1=4297,4298,4299, / # # 359 LYS H 360 ALA H 3.850 &rst ixpk= 0, nxpk= 0, iat=5558,5580, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 358 SER H 359 LYS H 4.250 &rst ixpk= 0, nxpk= 0, iat=5547,5558, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 359 LYS H 359 LYS QB 3.560 &rst ixpk= 0, nxpk= 0, iat=5558, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=5562,5563, / # # 359 LYS H 359 LYS HD3 4.710 &rst ixpk= 0, nxpk= 0, iat=5558,5569, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 359 LYS H 360 ALA QB 4.790 &rst ixpk= 0, nxpk= 0, iat=5558, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=5584,5585,5586, / # # 279 ILE H 281 GLU H 4.720 &rst ixpk= 0, nxpk= 0, iat=4220,4261, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 278 LYS HB2 279 ILE H 3.410 &rst ixpk= 0, nxpk= 0, iat=4202,4220, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, / # # 278 LYS QD 279 ILE H 5.230 &rst ixpk= 0, nxpk= 0, iat= -1,4220, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=4208,4209, / # # 279 ILE H 279 ILE HG13 3.220 &rst ixpk= 0, nxpk= 0, iat=4220,4231, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, / # # 276 VAL QG1 279 ILE H 5.410 &rst ixpk= 0, nxpk= 0, iat= -1,4220, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=4173,4174,4175, / # # 279 ILE H 279 ILE QD1 2.990 &rst ixpk= 0, nxpk= 0, iat=4220, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2=4233,4234,4235, / # # 271 ASP H 273 GLY H 5.500 &rst ixpk= 0, nxpk= 0, iat=4101,4124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 271 ASP H 272 SER H 4.650 &rst ixpk= 0, nxpk= 0, iat=4101,4113, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 271 ASP H 326 THR H 4.460 &rst ixpk= 0, nxpk= 0, iat=4101,5001, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 271 ASP H 327 ASP H 4.700 &rst ixpk= 0, nxpk= 0, iat=4101,5015, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 270 ARG H 271 ASP H 3.110 &rst ixpk= 0, nxpk= 0, iat=4077,4101, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, / # # 269 LYS HA 271 ASP H 4.560 &rst ixpk= 0, nxpk= 0, iat=4057,4101, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 271 ASP H 326 THR HB 5.120 &rst ixpk= 0, nxpk= 0, iat=4101,5005, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 268 VAL HA 271 ASP H 3.930 &rst ixpk= 0, nxpk= 0, iat=4041,4101, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 267 LEU HA 271 ASP H 4.920 &rst ixpk= 0, nxpk= 0, iat=4022,4101, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 271 ASP H 271 ASP QB 2.820 &rst ixpk= 0, nxpk= 0, iat=4101, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, igr2=4105,4106, / # # 270 ARG HB3 271 ASP H 4.020 &rst ixpk= 0, nxpk= 0, iat=4082,4101, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 270 ARG QG 271 ASP H 4.330 &rst ixpk= 0, nxpk= 0, iat= -1,4101, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=4084,4085, / # # 270 ARG HB2 271 ASP H 4.130 &rst ixpk= 0, nxpk= 0, iat=4081,4101, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, / # # 309 ARG H 309 ARG HE 4.930 &rst ixpk= 0, nxpk= 0, iat=4709,4722, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 309 ARG H 310 SER H 4.120 &rst ixpk= 0, nxpk= 0, iat=4709,4733, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, / # # 309 ARG H 340 LYS HD2 5.120 &rst ixpk= 0, nxpk= 0, iat=4709,5237, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 309 ARG H 309 ARG HD3 4.700 &rst ixpk= 0, nxpk= 0, iat=4709,4720, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 308 ASP HB3 309 ARG H 4.470 &rst ixpk= 0, nxpk= 0, iat=4702,4709, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 302 TYR H 303 ALA H 3.480 &rst ixpk= 0, nxpk= 0, iat=4605,4626, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, / # # 302 TYR QD 303 ALA H 4.710 &rst ixpk= 0, nxpk= 0, iat= -1,4626, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1=4613,4622, / # # 301 THR HB 303 ALA H 3.590 &rst ixpk= 0, nxpk= 0, iat=4595,4626, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, / # # 302 TYR HB3 303 ALA H 3.900 &rst ixpk= 0, nxpk= 0, iat=4610,4626, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 302 TYR HB2 303 ALA H 3.970 &rst ixpk= 0, nxpk= 0, iat=4609,4626, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, / # # 315 HIET H 316 VAL H 3.550 &rst ixpk= 0, nxpk= 0, iat=4811,4828, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 315 HIET HB3 316 VAL H 4.350 &rst ixpk= 0, nxpk= 0, iat=4816,4828, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 318 LEU H 320 LEU H 5.050 &rst ixpk= 0, nxpk= 0, iat=4863,4903, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 319 TYR QD 320 LEU H 4.260 &rst ixpk= 0, nxpk= 0, iat= -1,4903, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1=4890,4899, / # # 317 ILE HA 320 LEU H 4.160 &rst ixpk= 0, nxpk= 0, iat=4846,4903, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, / # # 319 TYR QB 320 LEU H 3.490 &rst ixpk= 0, nxpk= 0, iat= -1,4903, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1=4886,4887, / # # 320 LEU H 320 LEU HG 3.800 &rst ixpk= 0, nxpk= 0, iat=4903,4910, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 320 LEU H 320 LEU HB3 3.800 &rst ixpk= 0, nxpk= 0, iat=4903,4908, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 320 LEU H 320 LEU QD1 3.780 &rst ixpk= 0, nxpk= 0, iat=4903, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=4912,4913,4914, / # # 291 LEU H 291 LEU QD1 4.250 &rst ixpk= 0, nxpk= 0, iat=4417, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=4426,4427,4428, / # # 273 GLY H 274 LYS H 3.280 &rst ixpk= 0, nxpk= 0, iat=4124,4131, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, / # # 272 SER H 274 LYS H 5.050 &rst ixpk= 0, nxpk= 0, iat=4113,4131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 272 SER HA 274 LYS H 5.220 &rst ixpk= 0, nxpk= 0, iat=4115,4131, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 274 LYS H 275 PRO HD3 5.110 &rst ixpk= 0, nxpk= 0, iat=4131,4155, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, / # # 274 LYS H 275 PRO HD2 4.870 &rst ixpk= 0, nxpk= 0, iat=4131,4154, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 274 LYS H 274 LYS QE 4.140 &rst ixpk= 0, nxpk= 0, iat=4131, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=4144,4145, / # # 274 LYS H 278 LYS HB2 5.500 &rst ixpk= 0, nxpk= 0, iat=4131,4202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 274 LYS H 274 LYS QB 3.220 &rst ixpk= 0, nxpk= 0, iat=4131, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=4135,4136, / # # 274 LYS H 274 LYS QD 3.600 &rst ixpk= 0, nxpk= 0, iat=4131, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=4141,4142, / # # 274 LYS H 274 LYS QG 4.170 &rst ixpk= 0, nxpk= 0, iat=4131, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=4138,4139, / # # 346 LYS H 347 TRP H 3.020 &rst ixpk= 0, nxpk= 0, iat=5325,5347, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 347 TRP H 347 TRP HD1 5.000 &rst ixpk= 0, nxpk= 0, iat=5347,5355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 344 ASN HA 347 TRP H 4.400 &rst ixpk= 0, nxpk= 0, iat=5298,5347, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 347 TRP H 347 TRP HB3 3.670 &rst ixpk= 0, nxpk= 0, iat=5347,5352, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, / # # 344 ASN HB3 347 TRP H 5.050 &rst ixpk= 0, nxpk= 0, iat=5301,5347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 346 LYS HB3 347 TRP H 4.040 &rst ixpk= 0, nxpk= 0, iat=5330,5347, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 346 LYS HB2 347 TRP H 4.040 &rst ixpk= 0, nxpk= 0, iat=5329,5347, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 350 GLN H 351 LYS HA 5.500 &rst ixpk= 0, nxpk= 0, iat=5399,5418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 349 THR H 350 GLN H 4.020 &rst ixpk= 0, nxpk= 0, iat=5385,5399, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 350 GLN H 351 LYS H 3.410 &rst ixpk= 0, nxpk= 0, iat=5399,5416, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, / # # 349 THR HB 350 GLN H 3.910 &rst ixpk= 0, nxpk= 0, iat=5389,5399, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 327 ASP H 327 ASP HB2 3.750 &rst ixpk= 0, nxpk= 0, iat=5015,5019, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, / # # 350 GLN H 350 GLN QB 2.900 &rst ixpk= 0, nxpk= 0, iat=5399, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, igr2=5403,5404, / # # 349 THR QG2 350 GLN H 4.350 &rst ixpk= 0, nxpk= 0, iat= -1,5399, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=5391,5392,5393, / # # 350 GLN H 351 LYS HG2 5.500 &rst ixpk= 0, nxpk= 0, iat=5399,5423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 330 LYS H 332 LEU H 4.970 &rst ixpk= 0, nxpk= 0, iat=5053,5094, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 330 LYS H 331 ILE H 3.400 &rst ixpk= 0, nxpk= 0, iat=5053,5075, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, / # # 330 LYS H 331 ILE HA 5.490 &rst ixpk= 0, nxpk= 0, iat=5053,5077, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 329 ASP HB3 330 LYS H 4.190 &rst ixpk= 0, nxpk= 0, iat=5046,5053, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 327 ASP HB2 330 LYS H 4.960 &rst ixpk= 0, nxpk= 0, iat=5019,5053, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 330 LYS H 330 LYS HB2 3.400 &rst ixpk= 0, nxpk= 0, iat=5053,5057, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, / # # 330 LYS H 330 LYS HG2 4.000 &rst ixpk= 0, nxpk= 0, iat=5053,5060, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 330 LYS H 330 LYS HG3 3.930 &rst ixpk= 0, nxpk= 0, iat=5053,5061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 326 THR H 327 ASP H 3.540 &rst ixpk= 0, nxpk= 0, iat=5001,5015, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 325 VAL HA 327 ASP H 4.230 &rst ixpk= 0, nxpk= 0, iat=4987,5015, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, / # # 268 VAL HA 327 ASP H 4.810 &rst ixpk= 0, nxpk= 0, iat=4041,5015, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 271 ASP QB 327 ASP H 3.830 &rst ixpk= 0, nxpk= 0, iat= -1,5015, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1=4105,4106, / # # 327 ASP H 327 ASP HB3 3.750 &rst ixpk= 0, nxpk= 0, iat=5015,5020, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, / # # 327 ASP H 330 LYS HB2 4.960 &rst ixpk= 0, nxpk= 0, iat=5015,5057, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 267 LEU HB3 327 ASP H 5.110 &rst ixpk= 0, nxpk= 0, iat=4025,5015, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, / # # 326 THR QG2 327 ASP H 4.300 &rst ixpk= 0, nxpk= 0, iat= -1,5015, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=5007,5008,5009, / # # 343 GLU H 344 ASN H 4.190 &rst ixpk= 0, nxpk= 0, iat=5281,5296, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 342 LYS H 343 GLU H 3.140 &rst ixpk= 0, nxpk= 0, iat=5259,5281, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, / # # 341 ALA HA 343 GLU H 5.490 &rst ixpk= 0, nxpk= 0, iat=5251,5281, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 342 LYS HB2 343 GLU H 3.590 &rst ixpk= 0, nxpk= 0, iat=5263,5281, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, / # # 342 LYS HB3 343 GLU H 3.650 &rst ixpk= 0, nxpk= 0, iat=5264,5281, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 343 GLU H 349 THR QG2 3.760 &rst ixpk= 0, nxpk= 0, iat=5281, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=5391,5392,5393, / # # 264 ARG H 266 GLU H 4.670 &rst ixpk= 0, nxpk= 0, iat=3959,4005, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 266 GLU H 267 LEU QD1 5.470 &rst ixpk= 0, nxpk= 0, iat=4005, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr2=4029,4030,4031, / # # 266 GLU H 268 VAL H 4.570 &rst ixpk= 0, nxpk= 0, iat=4005,4039, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 263 LEU HA 266 GLU H 3.990 &rst ixpk= 0, nxpk= 0, iat=3942,4005, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 266 GLU H 269 LYS HD3 4.850 &rst ixpk= 0, nxpk= 0, iat=4005,4066, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 266 GLU H 267 LEU HG 4.510 &rst ixpk= 0, nxpk= 0, iat=4005,4027, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 264 ARG HA 266 GLU H 4.580 &rst ixpk= 0, nxpk= 0, iat=3961,4005, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, / # # 266 GLU H 266 GLU QB 2.960 &rst ixpk= 0, nxpk= 0, iat=4005, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2=4009,4010, / # # 265 LYS HB2 266 GLU H 3.540 &rst ixpk= 0, nxpk= 0, iat=3987,4005, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 263 LEU QQD 266 GLU H 4.690 &rst ixpk= 0, nxpk= 0, iat=3946,4005, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, / # # 363 VAL H 364 VAL H 3.220 &rst ixpk= 0, nxpk= 0, iat=5625,5641, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, / # # 362 SER H 363 VAL H 3.520 &rst ixpk= 0, nxpk= 0, iat=5614,5625, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 361 TRP HA 363 VAL H 4.610 &rst ixpk= 0, nxpk= 0, iat=5592,5625, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 360 ALA HA 363 VAL H 3.890 &rst ixpk= 0, nxpk= 0, iat=5582,5625, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 363 VAL H 363 VAL HB 3.120 &rst ixpk= 0, nxpk= 0, iat=5625,5629, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, / # # 363 VAL H 363 VAL QG1 3.790 &rst ixpk= 0, nxpk= 0, iat=5625, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=5631,5632,5633, / # # 365 LYS H 365 LYS QB 2.960 &rst ixpk= 0, nxpk= 0, iat=5657, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2=5661,5662, / # # 361 TRP HA 364 VAL H 4.200 &rst ixpk= 0, nxpk= 0, iat=5592,5641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, / # # 363 VAL HB 364 VAL H 3.480 &rst ixpk= 0, nxpk= 0, iat=5629,5641, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, / # # 363 VAL QG2 364 VAL H 3.930 &rst ixpk= 0, nxpk= 0, iat= -1,5641, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=5635,5636,5637, / # # 364 VAL H 364 VAL QG1 3.800 &rst ixpk= 0, nxpk= 0, iat=5641, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=5647,5648,5649, / # # 364 VAL H 365 LYS H 3.460 &rst ixpk= 0, nxpk= 0, iat=5641,5657, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, / # # 361 TRP HA 365 LYS H 4.380 &rst ixpk= 0, nxpk= 0, iat=5592,5657, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 365 LYS H 366 LYS QB 4.580 &rst ixpk= 0, nxpk= 0, iat=5657, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=5683,5684, / # # 365 LYS H 365 LYS QD 3.960 &rst ixpk= 0, nxpk= 0, iat=5657, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=5667,5668, / # # 363 VAL H 365 LYS H 4.890 &rst ixpk= 0, nxpk= 0, iat=5625,5657, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 364 VAL HB 365 LYS H 4.060 &rst ixpk= 0, nxpk= 0, iat=5645,5657, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 351 LYS HA 355 ILE H 4.960 &rst ixpk= 0, nxpk= 0, iat=5418,5495, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 355 ILE H 355 ILE QG1 3.510 &rst ixpk= 0, nxpk= 0, iat=5495, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2=5505,5506, / # # 355 ILE H 355 ILE QG2 3.800 &rst ixpk= 0, nxpk= 0, iat=5495, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=5501,5502,5503, / # # 354 VAL QG1 355 ILE H 3.810 &rst ixpk= 0, nxpk= 0, iat= -1,5495, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=5485,5486,5487, / # # 267 LEU H 269 LYS H 4.690 &rst ixpk= 0, nxpk= 0, iat=4020,4055, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 269 LYS H 271 ASP H 4.500 &rst ixpk= 0, nxpk= 0, iat=4055,4101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 269 LYS H 270 ARG HA 5.290 &rst ixpk= 0, nxpk= 0, iat=4055,4079, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 269 LYS H 271 ASP QB 5.410 &rst ixpk= 0, nxpk= 0, iat=4055, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=4105,4106, / # # 269 LYS H 269 LYS HD3 4.060 &rst ixpk= 0, nxpk= 0, iat=4055,4066, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 269 LYS H 269 LYS HG2 3.720 &rst ixpk= 0, nxpk= 0, iat=4055,4062, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 269 LYS H 269 LYS HG3 4.040 &rst ixpk= 0, nxpk= 0, iat=4055,4063, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 268 VAL QG1 269 LYS H 3.970 &rst ixpk= 0, nxpk= 0, iat= -1,4055, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=4045,4046,4047, / # # 317 ILE H 317 ILE HG13 3.890 &rst ixpk= 0, nxpk= 0, iat=4844,4855, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 316 VAL QG2 317 ILE H 4.200 &rst ixpk= 0, nxpk= 0, iat= -1,4844, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=4838,4839,4840, / # # 317 ILE H 331 ILE QG2 4.500 &rst ixpk= 0, nxpk= 0, iat=4844, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=5081,5082,5083, / # # 265 LYS HA 269 LYS H 4.650 &rst ixpk= 0, nxpk= 0, iat=3985,4055, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 267 LEU HA 269 LYS H 4.820 &rst ixpk= 0, nxpk= 0, iat=4022,4055, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 357 LEU H 358 SER H 3.490 &rst ixpk= 0, nxpk= 0, iat=5528,5547, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 356 THR HB 357 LEU H 3.070 &rst ixpk= 0, nxpk= 0, iat=5518,5528, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, / # # 354 VAL HA 357 LEU H 4.030 &rst ixpk= 0, nxpk= 0, iat=5481,5528, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 321 MET QE 357 LEU H 5.050 &rst ixpk= 0, nxpk= 0, iat= -1,5528, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=4933,4934,4935, / # # 357 LEU H 357 LEU HB2 3.400 &rst ixpk= 0, nxpk= 0, iat=5528,5532, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, / # # 357 LEU H 357 LEU HB3 3.600 &rst ixpk= 0, nxpk= 0, iat=5528,5533, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 357 LEU H 357 LEU QD1 3.720 &rst ixpk= 0, nxpk= 0, iat=5528, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=5537,5538,5539, / # # 356 THR H 357 LEU H 3.880 &rst ixpk= 0, nxpk= 0, iat=5514,5528, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 278 LYS HA 282 GLU H 4.310 &rst ixpk= 0, nxpk= 0, iat=4200,4276, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 282 GLU H 283 ILE HA 5.500 &rst ixpk= 0, nxpk= 0, iat=4276,4293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 279 ILE HA 282 GLU H 3.860 &rst ixpk= 0, nxpk= 0, iat=4222,4276, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 282 GLU H 282 GLU HG3 3.500 &rst ixpk= 0, nxpk= 0, iat=4276,4284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 282 GLU H 282 GLU HG2 3.300 &rst ixpk= 0, nxpk= 0, iat=4276,4283, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, / # # 282 GLU H 283 ILE HB 5.180 &rst ixpk= 0, nxpk= 0, iat=4276,4295, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 278 LYS QD 282 GLU H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4208,4209, / # # 280 LYS HB2 282 GLU H 5.500 &rst ixpk= 0, nxpk= 0, iat=4243,4276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 365 LYS H 368 LEU HG 5.500 &rst ixpk= 0, nxpk= 0, iat=5657,5729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 366 LYS HA 369 GLU H 4.200 &rst ixpk= 0, nxpk= 0, iat=5681,5741, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, / # # 369 GLU H 369 GLU HG3 3.410 &rst ixpk= 0, nxpk= 0, iat=5741,5749, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, / # # 369 GLU H 369 GLU HG2 3.680 &rst ixpk= 0, nxpk= 0, iat=5741,5748, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 369 GLU H 369 GLU HB3 3.710 &rst ixpk= 0, nxpk= 0, iat=5741,5746, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 369 GLU H 369 GLU HB2 3.030 &rst ixpk= 0, nxpk= 0, iat=5741,5745, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, / # # 368 LEU HB2 369 GLU H 3.440 &rst ixpk= 0, nxpk= 0, iat=5726,5741, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, / # # 368 LEU HB3 369 GLU H 3.970 &rst ixpk= 0, nxpk= 0, iat=5727,5741, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, / # # 368 LEU QD1 369 GLU H 5.130 &rst ixpk= 0, nxpk= 0, iat= -1,5741, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=5731,5732,5733, / # # 368 LEU QD2 369 GLU H 5.130 &rst ixpk= 0, nxpk= 0, iat= -1,5741, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=5735,5736,5737, / # # 349 THR HA 351 LYS H 5.370 &rst ixpk= 0, nxpk= 0, iat=5387,5416, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 349 THR HB 351 LYS H 5.500 &rst ixpk= 0, nxpk= 0, iat=5389,5416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 268 VAL H 269 LYS H 3.320 &rst ixpk= 0, nxpk= 0, iat=4039,4055, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 265 LYS HA 268 VAL H 4.410 &rst ixpk= 0, nxpk= 0, iat=3985,4039, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 264 ARG HA 268 VAL H 4.760 &rst ixpk= 0, nxpk= 0, iat=3961,4039, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 267 LEU HB3 268 VAL H 4.310 &rst ixpk= 0, nxpk= 0, iat=4025,4039, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 267 LEU HG 268 VAL H 4.530 &rst ixpk= 0, nxpk= 0, iat=4027,4039, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 267 LEU QD2 268 VAL H 4.870 &rst ixpk= 0, nxpk= 0, iat= -1,4039, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=4033,4034,4035, / # # 306 ASN H 307 ILE H 3.070 &rst ixpk= 0, nxpk= 0, iat=4664,4678, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, / # # 307 ILE H 308 ASP H 4.500 &rst ixpk= 0, nxpk= 0, iat=4678,4697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 367 TYR H 368 LEU H 3.080 &rst ixpk= 0, nxpk= 0, iat=5701,5722, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, / # # 305 VAL H 307 ILE H 4.300 &rst ixpk= 0, nxpk= 0, iat=4648,4678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 367 TYR QD 368 LEU H 4.480 &rst ixpk= 0, nxpk= 0, iat= -1,5722, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=5709,5718, / # # 302 TYR QD 307 ILE H 5.470 &rst ixpk= 0, nxpk= 0, iat= -1,4678, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1=4613,4622, / # # 302 TYR HA 307 ILE H 4.370 &rst ixpk= 0, nxpk= 0, iat=4607,4678, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 306 ASN HA 307 ILE H 2.870 &rst ixpk= 0, nxpk= 0, iat=4666,4678, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, / # # 366 LYS HA 368 LEU H 4.810 &rst ixpk= 0, nxpk= 0, iat=5681,5722, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 364 VAL HA 368 LEU H 4.980 &rst ixpk= 0, nxpk= 0, iat=5643,5722, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 302 TYR HB3 307 ILE H 4.230 &rst ixpk= 0, nxpk= 0, iat=4610,4678, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, / # # 368 LEU H 368 LEU HG 3.680 &rst ixpk= 0, nxpk= 0, iat=5722,5729, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 368 LEU H 368 LEU HB2 3.070 &rst ixpk= 0, nxpk= 0, iat=5722,5726, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, / # # 368 LEU H 368 LEU QD1 4.050 &rst ixpk= 0, nxpk= 0, iat=5722, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=5731,5732,5733, / # # 307 ILE H 307 ILE QG2 2.920 &rst ixpk= 0, nxpk= 0, iat=4678, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=4684,4685,4686, / # # 307 ILE H 307 ILE QD1 5.020 &rst ixpk= 0, nxpk= 0, iat=4678, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=4691,4692,4693, / # # 351 LYS H 353 PHE H 4.800 &rst ixpk= 0, nxpk= 0, iat=5416,5459, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 349 THR H 351 LYS H 4.990 &rst ixpk= 0, nxpk= 0, iat=5385,5416, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 348 ASN H 351 LYS H 4.650 &rst ixpk= 0, nxpk= 0, iat=5371,5416, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 351 LYS H 352 TYR HB3 5.140 &rst ixpk= 0, nxpk= 0, iat=5416,5443, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, / # # 350 GLN QG 351 LYS H 4.240 &rst ixpk= 0, nxpk= 0, iat= -1,5416, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=5406,5407, / # # 350 GLN QB 351 LYS H 3.390 &rst ixpk= 0, nxpk= 0, iat= -1,5416, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr1=5403,5404, / # # 351 LYS H 351 LYS HG2 3.440 &rst ixpk= 0, nxpk= 0, iat=5416,5423, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, / # # 351 LYS H 351 LYS HG3 3.610 &rst ixpk= 0, nxpk= 0, iat=5416,5424, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, / # # 351 LYS H 351 LYS HB3 3.720 &rst ixpk= 0, nxpk= 0, iat=5416,5421, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 351 LYS H 351 LYS HB2 3.610 &rst ixpk= 0, nxpk= 0, iat=5416,5420, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, / # # 334 LEU H 335 LEU H 3.160 &rst ixpk= 0, nxpk= 0, iat=5128,5147, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, / # # 333 GLU H 335 LEU H 4.350 &rst ixpk= 0, nxpk= 0, iat=5113,5147, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 333 GLU HA 335 LEU H 4.750 &rst ixpk= 0, nxpk= 0, iat=5115,5147, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 332 LEU HA 335 LEU H 4.030 &rst ixpk= 0, nxpk= 0, iat=5096,5147, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 331 ILE HA 335 LEU H 4.550 &rst ixpk= 0, nxpk= 0, iat=5077,5147, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 335 LEU H 335 LEU HG 4.070 &rst ixpk= 0, nxpk= 0, iat=5147,5154, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 333 GLU HB2 335 LEU H 5.210 &rst ixpk= 0, nxpk= 0, iat=5117,5147, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, / # # 334 LEU HB2 335 LEU H 3.900 &rst ixpk= 0, nxpk= 0, iat=5132,5147, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 335 LEU H 335 LEU HB3 3.660 &rst ixpk= 0, nxpk= 0, iat=5147,5152, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 335 LEU H 335 LEU HB2 3.660 &rst ixpk= 0, nxpk= 0, iat=5147,5151, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 335 LEU H 335 LEU QD2 4.290 &rst ixpk= 0, nxpk= 0, iat=5147, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=5160,5161,5162, / # # 278 LYS H 279 ILE H 3.150 &rst ixpk= 0, nxpk= 0, iat=4198,4220, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, / # # 278 LYS H 281 GLU H 5.500 &rst ixpk= 0, nxpk= 0, iat=4198,4261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 276 VAL HA 278 LYS H 4.510 &rst ixpk= 0, nxpk= 0, iat=4169,4198, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 278 LYS H 280 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat=4198,4253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 275 PRO HG2 278 LYS H 3.690 &rst ixpk= 0, nxpk= 0, iat=4157,4198, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 278 LYS H 278 LYS HB2 2.800 &rst ixpk= 0, nxpk= 0, iat=4198,4202, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, / # # 278 LYS H 278 LYS HG2 3.310 &rst ixpk= 0, nxpk= 0, iat=4198,4205, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 276 VAL QG1 278 LYS H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4173,4174,4175, / # # 288 PRO HB2 293 LYS H 5.460 &rst ixpk= 0, nxpk= 0, iat=4374,4455, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, / # # 293 LYS H 294 GLU HA 5.430 &rst ixpk= 0, nxpk= 0, iat=4455,4479, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 293 LYS H 296 ILE QG1 5.200 &rst ixpk= 0, nxpk= 0, iat=4455, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=4521,4522, / # # 317 ILE H 318 LEU H 3.650 &rst ixpk= 0, nxpk= 0, iat=4844,4863, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 315 HIET HA 318 LEU H 4.080 &rst ixpk= 0, nxpk= 0, iat=4813,4863, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, / # # 317 ILE HB 318 LEU H 3.850 &rst ixpk= 0, nxpk= 0, iat=4848,4863, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 318 LEU H 318 LEU HB2 3.450 &rst ixpk= 0, nxpk= 0, iat=4863,4867, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, / # # 318 LEU H 318 LEU HB3 3.620 &rst ixpk= 0, nxpk= 0, iat=4863,4868, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 317 ILE QG2 318 LEU H 3.570 &rst ixpk= 0, nxpk= 0, iat= -1,4863, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1=4850,4851,4852, / # # 318 LEU H 318 LEU HG 3.800 &rst ixpk= 0, nxpk= 0, iat=4863,4870, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 320 LEU H 321 MET H 3.590 &rst ixpk= 0, nxpk= 0, iat=4903,4922, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, / # # 318 LEU H 321 MET H 5.400 &rst ixpk= 0, nxpk= 0, iat=4863,4922, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 321 MET H 325 VAL H 5.500 &rst ixpk= 0, nxpk= 0, iat=4922,4985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 321 MET H 322 LYS H 3.690 &rst ixpk= 0, nxpk= 0, iat=4922,4939, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 318 LEU HA 321 MET H 4.170 &rst ixpk= 0, nxpk= 0, iat=4865,4922, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 321 MET H 321 MET HG3 3.550 &rst ixpk= 0, nxpk= 0, iat=4922,4930, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 321 MET H 321 MET HG2 3.980 &rst ixpk= 0, nxpk= 0, iat=4922,4929, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 320 LEU HB2 321 MET H 3.490 &rst ixpk= 0, nxpk= 0, iat=4907,4922, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 317 ILE QG2 321 MET H 3.910 &rst ixpk= 0, nxpk= 0, iat= -1,4922, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=4850,4851,4852, / # # 262 GLU QB 264 ARG H 4.930 &rst ixpk= 0, nxpk= 0, iat= -1,3959, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=3929,3930, / # # 264 ARG H 265 LYS H 3.630 &rst ixpk= 0, nxpk= 0, iat=3959,3983, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 261 GLU HA 264 ARG H 3.980 &rst ixpk= 0, nxpk= 0, iat=3912,3959, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 264 ARG H 264 ARG HD2 4.880 &rst ixpk= 0, nxpk= 0, iat=3959,3969, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 263 LEU HB3 264 ARG H 3.730 &rst ixpk= 0, nxpk= 0, iat=3945,3959, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 264 ARG H 264 ARG HB2 3.780 &rst ixpk= 0, nxpk= 0, iat=3959,3963, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, / # # 264 ARG H 264 ARG HG3 4.170 &rst ixpk= 0, nxpk= 0, iat=3959,3967, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 264 ARG H 264 ARG HB3 3.780 &rst ixpk= 0, nxpk= 0, iat=3959,3964, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, / # # 339 SER HA 341 ALA H 4.800 &rst ixpk= 0, nxpk= 0, iat=5218,5249, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 341 ALA H 343 GLU H 4.990 &rst ixpk= 0, nxpk= 0, iat=5249,5281, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 340 LYS H 341 ALA H 4.470 &rst ixpk= 0, nxpk= 0, iat=5227,5249, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 339 SER HB3 341 ALA H 4.840 &rst ixpk= 0, nxpk= 0, iat=5221,5249, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 339 SER HB2 341 ALA H 4.840 &rst ixpk= 0, nxpk= 0, iat=5220,5249, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 341 ALA H 341 ALA QB 3.290 &rst ixpk= 0, nxpk= 0, iat=5249, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=5253,5254,5255, / # # 261 GLU H 261 GLU QG 3.520 &rst ixpk= 0, nxpk= 0, iat=3910, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=3917,3918, / # # 261 GLU H 261 GLU HB3 3.650 &rst ixpk= 0, nxpk= 0, iat=3910,3915, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 261 GLU H 261 GLU HB2 3.650 &rst ixpk= 0, nxpk= 0, iat=3910,3914, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 267 LEU H 268 VAL H 3.580 &rst ixpk= 0, nxpk= 0, iat=4020,4039, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, / # # 266 GLU H 267 LEU H 3.300 &rst ixpk= 0, nxpk= 0, iat=4005,4020, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, / # # 263 LEU HA 267 LEU H 5.010 &rst ixpk= 0, nxpk= 0, iat=3942,4020, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 264 ARG HA 267 LEU H 3.770 &rst ixpk= 0, nxpk= 0, iat=3961,4020, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 266 GLU QB 267 LEU H 3.230 &rst ixpk= 0, nxpk= 0, iat= -1,4020, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr1=4009,4010, / # # 267 LEU H 267 LEU HB2 3.630 &rst ixpk= 0, nxpk= 0, iat=4020,4024, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 267 LEU H 267 LEU HB3 3.810 &rst ixpk= 0, nxpk= 0, iat=4020,4025, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 267 LEU H 267 LEU HG 3.320 &rst ixpk= 0, nxpk= 0, iat=4020,4027, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 267 LEU H 267 LEU QD2 3.610 &rst ixpk= 0, nxpk= 0, iat=4020, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=4033,4034,4035, / # # 272 SER H 273 GLY H 3.730 &rst ixpk= 0, nxpk= 0, iat=4113,4124, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 272 SER H 327 ASP H 5.500 &rst ixpk= 0, nxpk= 0, iat=4113,5015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 271 ASP HA 272 SER H 3.220 &rst ixpk= 0, nxpk= 0, iat=4103,4113, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, / # # 272 SER H 325 VAL HA 4.290 &rst ixpk= 0, nxpk= 0, iat=4113,4987, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 272 SER H 272 SER HB2 3.890 &rst ixpk= 0, nxpk= 0, iat=4113,4117, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 272 SER H 272 SER HB3 3.890 &rst ixpk= 0, nxpk= 0, iat=4113,4118, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 271 ASP QB 272 SER H 3.930 &rst ixpk= 0, nxpk= 0, iat= -1,4113, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=4105,4106, / # # 359 LYS H 361 TRP H 4.950 &rst ixpk= 0, nxpk= 0, iat=5558,5590, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 361 TRP H 363 VAL H 4.810 &rst ixpk= 0, nxpk= 0, iat=5590,5625, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 361 TRP H 361 TRP HD1 5.240 &rst ixpk= 0, nxpk= 0, iat=5590,5598, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 314 TRP HZ3 361 TRP H 5.130 &rst ixpk= 0, nxpk= 0, iat=4804,5590, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, / # # 358 SER HA 361 TRP H 4.190 &rst ixpk= 0, nxpk= 0, iat=5549,5590, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 357 LEU HA 361 TRP H 4.970 &rst ixpk= 0, nxpk= 0, iat=5530,5590, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 360 ALA QB 361 TRP H 3.320 &rst ixpk= 0, nxpk= 0, iat= -1,5590, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=5584,5585,5586, / # # 267 LEU QD2 361 TRP H 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,5590, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4033,4034,4035, / # # 314 TRP H 314 TRP HD1 4.920 &rst ixpk= 0, nxpk= 0, iat=4787,4795, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 365 LYS H 367 TYR H 4.610 &rst ixpk= 0, nxpk= 0, iat=5657,5701, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 364 VAL HA 367 TYR H 3.900 &rst ixpk= 0, nxpk= 0, iat=5643,5701, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 367 TYR H 367 TYR HB3 3.770 &rst ixpk= 0, nxpk= 0, iat=5701,5706, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 367 TYR H 367 TYR HB2 3.140 &rst ixpk= 0, nxpk= 0, iat=5701,5705, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, / # # 366 LYS QB 367 TYR H 3.210 &rst ixpk= 0, nxpk= 0, iat= -1,5701, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=5683,5684, / # # 367 TYR H 368 LEU HA 5.380 &rst ixpk= 0, nxpk= 0, iat=5701,5724, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 366 LYS HG2 367 TYR H 4.110 &rst ixpk= 0, nxpk= 0, iat=5686,5701, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, / # # 313 ASP H 314 TRP H 3.850 &rst ixpk= 0, nxpk= 0, iat=4775,4787, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 313 ASP HB2 314 TRP H 4.530 &rst ixpk= 0, nxpk= 0, iat=4779,4787, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 311 ARG QB 314 TRP H 5.300 &rst ixpk= 0, nxpk= 0, iat= -1,4787, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=4748,4749, / # # 314 TRP H 316 VAL H 5.180 &rst ixpk= 0, nxpk= 0, iat=4787,4828, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 314 TRP H 317 ILE H 5.500 &rst ixpk= 0, nxpk= 0, iat=4787,4844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP H 315 HIET HD2 5.500 &rst ixpk= 0, nxpk= 0, iat=4787,4824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 311 ARG HA 314 TRP H 4.190 &rst ixpk= 0, nxpk= 0, iat=4746,4787, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 314 TRP H 314 TRP HB3 3.650 &rst ixpk= 0, nxpk= 0, iat=4787,4792, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 314 TRP H 314 TRP HB2 3.720 &rst ixpk= 0, nxpk= 0, iat=4787,4791, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 313 ASP HB3 314 TRP H 4.530 &rst ixpk= 0, nxpk= 0, iat=4780,4787, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 355 ILE H 356 THR H 4.290 &rst ixpk= 0, nxpk= 0, iat=5495,5514, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 353 PHE HA 356 THR H 4.590 &rst ixpk= 0, nxpk= 0, iat=5461,5514, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 281 GLU H 282 GLU H 3.180 &rst ixpk= 0, nxpk= 0, iat=4261,4276, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, / # # 280 LYS H 281 GLU H 3.310 &rst ixpk= 0, nxpk= 0, iat=4239,4261, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 278 LYS HA 281 GLU H 3.780 &rst ixpk= 0, nxpk= 0, iat=4200,4261, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, / # # 281 GLU H 282 GLU HG3 5.340 &rst ixpk= 0, nxpk= 0, iat=4261,4284, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 281 GLU H 281 GLU QG 3.800 &rst ixpk= 0, nxpk= 0, iat=4261, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=4268,4269, / # # 281 GLU H 281 GLU QB 2.630 &rst ixpk= 0, nxpk= 0, iat=4261, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, igr2=4265,4266, / # # 280 LYS HB2 281 GLU H 3.740 &rst ixpk= 0, nxpk= 0, iat=4243,4261, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 341 ALA H 342 LYS HE3 4.520 &rst ixpk= 0, nxpk= 0, iat=5249,5273, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 349 THR H 349 THR QG2 3.700 &rst ixpk= 0, nxpk= 0, iat=5385, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=5391,5392,5393, / # # 261 GLU H 263 LEU HB3 5.040 &rst ixpk= 0, nxpk= 0, iat=3910,3945, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 332 LEU HA 334 LEU H 5.020 &rst ixpk= 0, nxpk= 0, iat=5096,5128, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 331 ILE HA 334 LEU H 4.060 &rst ixpk= 0, nxpk= 0, iat=5077,5128, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 333 GLU HG2 334 LEU H 4.270 &rst ixpk= 0, nxpk= 0, iat=5120,5128, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 333 GLU HB3 334 LEU H 3.850 &rst ixpk= 0, nxpk= 0, iat=5118,5128, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 334 LEU H 334 LEU HB2 3.210 &rst ixpk= 0, nxpk= 0, iat=5128,5132, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, / # # 334 LEU H 334 LEU HG 3.120 &rst ixpk= 0, nxpk= 0, iat=5128,5135, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, / # # 334 LEU H 334 LEU HB3 3.600 &rst ixpk= 0, nxpk= 0, iat=5128,5133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 334 LEU H 334 LEU QD1 3.570 &rst ixpk= 0, nxpk= 0, iat=5128, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2=5137,5138,5139, / # # 332 LEU H 334 LEU H 4.700 &rst ixpk= 0, nxpk= 0, iat=5094,5128, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 320 LEU H 322 LYS H 5.060 &rst ixpk= 0, nxpk= 0, iat=4903,4939, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, / # # 321 MET HG3 322 LYS H 4.750 &rst ixpk= 0, nxpk= 0, iat=4930,4939, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 322 LYS H 364 VAL QG2 4.860 &rst ixpk= 0, nxpk= 0, iat=4939, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=5651,5652,5653, / # # 322 LYS H 364 VAL QG1 4.860 &rst ixpk= 0, nxpk= 0, iat=4939, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=5647,5648,5649, / # # 319 TYR QB 322 LYS H 5.210 &rst ixpk= 0, nxpk= 0, iat= -1,4939, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=4886,4887, / # # 322 LYS H 322 LYS HB3 3.580 &rst ixpk= 0, nxpk= 0, iat=4939,4944, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, / # # 322 LYS H 322 LYS HB2 3.530 &rst ixpk= 0, nxpk= 0, iat=4939,4943, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 300 LYS H 301 THR H 4.600 &rst ixpk= 0, nxpk= 0, iat=4569,4591, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 299 ASN H 300 LYS H 3.520 &rst ixpk= 0, nxpk= 0, iat=4555,4569, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 299 ASN HA 300 LYS H 3.360 &rst ixpk= 0, nxpk= 0, iat=4557,4569, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, / # # 295 ILE HA 300 LYS H 3.460 &rst ixpk= 0, nxpk= 0, iat=4494,4569, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, / # # 298 GLU HB2 300 LYS H 4.430 &rst ixpk= 0, nxpk= 0, iat=4544,4569, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 298 GLU HB3 300 LYS H 4.240 &rst ixpk= 0, nxpk= 0, iat=4545,4569, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 300 LYS H 300 LYS HB3 3.860 &rst ixpk= 0, nxpk= 0, iat=4569,4574, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 300 LYS H 300 LYS HG2 3.980 &rst ixpk= 0, nxpk= 0, iat=4569,4576, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 300 LYS H 300 LYS HB2 3.530 &rst ixpk= 0, nxpk= 0, iat=4569,4573, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 300 LYS H 300 LYS HG3 3.780 &rst ixpk= 0, nxpk= 0, iat=4569,4577, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, / # # 295 ILE QD1 300 LYS H 3.960 &rst ixpk= 0, nxpk= 0, iat= -1,4569, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=4505,4506,4507, / # # 305 VAL H 306 ASN H 3.290 &rst ixpk= 0, nxpk= 0, iat=4648,4664, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, / # # 306 ASN H 306 ASN HA 2.610 &rst ixpk= 0, nxpk= 0, iat=4664,4666, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, / # # 303 ALA HA 306 ASN H 3.810 &rst ixpk= 0, nxpk= 0, iat=4628,4664, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 306 ASN H 306 ASN HB3 3.850 &rst ixpk= 0, nxpk= 0, iat=4664,4669, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 306 ASN H 306 ASN HB2 3.400 &rst ixpk= 0, nxpk= 0, iat=4664,4668, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, / # # 306 ASN H 307 ILE QG2 4.200 &rst ixpk= 0, nxpk= 0, iat=4664, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=4684,4685,4686, / # # 350 GLN QB 352 TYR H 5.480 &rst ixpk= 0, nxpk= 0, iat= -1,5438, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=5403,5404, / # # 347 TRP HE3 352 TYR H 3.850 &rst ixpk= 0, nxpk= 0, iat=5366,5438, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 351 LYS H 352 TYR H 3.420 &rst ixpk= 0, nxpk= 0, iat=5416,5438, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, / # # 348 ASN H 352 TYR H 4.290 &rst ixpk= 0, nxpk= 0, iat=5371,5438, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 349 THR HA 352 TYR H 4.640 &rst ixpk= 0, nxpk= 0, iat=5387,5438, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 352 TYR H 352 TYR HB3 3.310 &rst ixpk= 0, nxpk= 0, iat=5438,5443, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 351 LYS HG2 352 TYR H 4.590 &rst ixpk= 0, nxpk= 0, iat=5423,5438, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 351 LYS HG3 352 TYR H 4.750 &rst ixpk= 0, nxpk= 0, iat=5424,5438, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 351 LYS HB3 352 TYR H 4.020 &rst ixpk= 0, nxpk= 0, iat=5421,5438, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 351 LYS HB2 352 TYR H 3.840 &rst ixpk= 0, nxpk= 0, iat=5420,5438, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 262 GLU H 262 GLU HG2 4.200 &rst ixpk= 0, nxpk= 0, iat=3925,3932, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, / # # 262 GLU H 262 GLU QB 2.940 &rst ixpk= 0, nxpk= 0, iat=3925, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr2=3929,3930, / # # 262 GLU H 264 ARG H 4.720 &rst ixpk= 0, nxpk= 0, iat=3925,3959, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 261 GLU H 262 GLU H 3.510 &rst ixpk= 0, nxpk= 0, iat=3910,3925, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, / # # 262 GLU H 263 LEU HB3 4.920 &rst ixpk= 0, nxpk= 0, iat=3925,3945, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 303 ALA H 306 ASN H 4.990 &rst ixpk= 0, nxpk= 0, iat=4626,4664, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 352 TYR H 353 PHE H 3.680 &rst ixpk= 0, nxpk= 0, iat=5438,5459, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 277 GLU H 280 LYS HE3 4.960 &rst ixpk= 0, nxpk= 0, iat=4183,4253, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 276 VAL H 277 GLU H 3.350 &rst ixpk= 0, nxpk= 0, iat=4167,4183, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, / # # 277 GLU H 280 LYS H 5.390 &rst ixpk= 0, nxpk= 0, iat=4183,4239, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 277 GLU H 279 ILE H 4.410 &rst ixpk= 0, nxpk= 0, iat=4183,4220, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 277 GLU H 278 LYS H 3.160 &rst ixpk= 0, nxpk= 0, iat=4183,4198, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, / # # 275 PRO HA 277 GLU H 4.740 &rst ixpk= 0, nxpk= 0, iat=4163,4183, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 275 PRO HB2 277 GLU H 3.750 &rst ixpk= 0, nxpk= 0, iat=4160,4183, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, / # # 276 VAL HB 277 GLU H 3.170 &rst ixpk= 0, nxpk= 0, iat=4171,4183, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, / # # 302 TYR H 304 ASP H 4.510 &rst ixpk= 0, nxpk= 0, iat=4605,4636, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 303 ALA H 304 ASP H 3.360 &rst ixpk= 0, nxpk= 0, iat=4626,4636, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, / # # 301 THR H 304 ASP H 3.760 &rst ixpk= 0, nxpk= 0, iat=4591,4636, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, / # # 301 THR HB 304 ASP H 4.090 &rst ixpk= 0, nxpk= 0, iat=4595,4636, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 304 ASP H 304 ASP HB3 3.570 &rst ixpk= 0, nxpk= 0, iat=4636,4641, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 304 ASP H 304 ASP HB2 3.570 &rst ixpk= 0, nxpk= 0, iat=4636,4640, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 300 LYS HB3 304 ASP H 4.570 &rst ixpk= 0, nxpk= 0, iat=4574,4636, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 301 THR QG2 304 ASP H 4.340 &rst ixpk= 0, nxpk= 0, iat= -1,4636, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=4597,4598,4599, / # # 295 ILE QD1 304 ASP H 5.350 &rst ixpk= 0, nxpk= 0, iat= -1,4636, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=4505,4506,4507, / # # 304 ASP H 306 ASN H 4.570 &rst ixpk= 0, nxpk= 0, iat=4636,4664, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 319 TYR H 321 MET H 4.970 &rst ixpk= 0, nxpk= 0, iat=4882,4922, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 319 TYR H 320 LEU H 3.580 &rst ixpk= 0, nxpk= 0, iat=4882,4903, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, / # # 318 LEU H 319 TYR H 3.770 &rst ixpk= 0, nxpk= 0, iat=4863,4882, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 319 TYR H 319 TYR QD 4.220 &rst ixpk= 0, nxpk= 0, iat=4882, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=4890,4899, / # # 316 VAL HA 319 TYR H 4.400 &rst ixpk= 0, nxpk= 0, iat=4830,4882, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 319 TYR H 319 TYR QB 3.200 &rst ixpk= 0, nxpk= 0, iat=4882, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2=4886,4887, / # # 318 LEU HB2 319 TYR H 3.890 &rst ixpk= 0, nxpk= 0, iat=4867,4882, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 292 ILE QG1 319 TYR H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4882, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4446,4447, / # # 283 ILE H 285 THR H 5.000 &rst ixpk= 0, nxpk= 0, iat=4291,4320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 279 ILE HA 283 ILE H 4.360 &rst ixpk= 0, nxpk= 0, iat=4222,4291, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 280 LYS HA 283 ILE H 4.650 &rst ixpk= 0, nxpk= 0, iat=4241,4291, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 283 ILE H 284 CYX QB 4.900 &rst ixpk= 0, nxpk= 0, iat=4291, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=4314,4315, / # # 282 GLU HB3 283 ILE H 4.170 &rst ixpk= 0, nxpk= 0, iat=4281,4291, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 282 GLU HB2 283 ILE H 4.170 &rst ixpk= 0, nxpk= 0, iat=4280,4291, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 283 ILE H 283 ILE HB 3.180 &rst ixpk= 0, nxpk= 0, iat=4291,4295, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, / # # 279 ILE QG2 283 ILE H 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,4291, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=4226,4227,4228, / # # 283 ILE H 284 CYX HA 5.060 &rst ixpk= 0, nxpk= 0, iat=4291,4312, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, / # # 354 VAL H 355 ILE H 4.050 &rst ixpk= 0, nxpk= 0, iat=5479,5495, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, / # # 350 GLN HA 354 VAL H 4.550 &rst ixpk= 0, nxpk= 0, iat=5401,5479, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 352 TYR HA 354 VAL H 5.500 &rst ixpk= 0, nxpk= 0, iat=5440,5479, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 354 VAL H 355 ILE HA 5.500 &rst ixpk= 0, nxpk= 0, iat=5479,5497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 351 LYS HA 354 VAL H 4.410 &rst ixpk= 0, nxpk= 0, iat=5418,5479, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 353 PHE HB2 354 VAL H 4.250 &rst ixpk= 0, nxpk= 0, iat=5463,5479, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 353 PHE HB3 354 VAL H 3.890 &rst ixpk= 0, nxpk= 0, iat=5464,5479, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 354 VAL H 355 ILE HB 5.250 &rst ixpk= 0, nxpk= 0, iat=5479,5499, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 354 VAL H 354 VAL HB 3.370 &rst ixpk= 0, nxpk= 0, iat=5479,5483, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, / # # 347 TRP HE1 348 ASN H 4.400 &rst ixpk= 0, nxpk= 0, iat=5357,5371, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 348 ASN H 349 THR H 4.570 &rst ixpk= 0, nxpk= 0, iat=5371,5385, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 347 TRP H 348 ASN H 4.590 &rst ixpk= 0, nxpk= 0, iat=5347,5371, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 347 TRP HA 348 ASN H 3.270 &rst ixpk= 0, nxpk= 0, iat=5349,5371, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, / # # 347 TRP HB2 348 ASN H 3.950 &rst ixpk= 0, nxpk= 0, iat=5351,5371, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 347 TRP HB3 348 ASN H 3.900 &rst ixpk= 0, nxpk= 0, iat=5352,5371, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 348 ASN H 351 LYS HG2 5.150 &rst ixpk= 0, nxpk= 0, iat=5371,5423, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 348 ASN H 351 LYS HG3 4.090 &rst ixpk= 0, nxpk= 0, iat=5371,5424, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 348 ASN H 351 LYS HB2 4.510 &rst ixpk= 0, nxpk= 0, iat=5371,5420, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 329 ASP H 331 ILE H 4.480 &rst ixpk= 0, nxpk= 0, iat=5041,5075, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 331 ILE H 332 LEU H 3.950 &rst ixpk= 0, nxpk= 0, iat=5075,5094, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 328 PRO HA 331 ILE H 3.880 &rst ixpk= 0, nxpk= 0, iat=5037,5075, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 331 ILE H 331 ILE HB 3.340 &rst ixpk= 0, nxpk= 0, iat=5075,5079, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, / # # 331 ILE H 331 ILE HG13 4.220 &rst ixpk= 0, nxpk= 0, iat=5075,5086, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 330 LYS HB3 331 ILE H 3.920 &rst ixpk= 0, nxpk= 0, iat=5058,5075, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, / # # 331 ILE H 331 ILE QG2 3.870 &rst ixpk= 0, nxpk= 0, iat=5075, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=5081,5082,5083, / # # 280 LYS H 282 GLU H 4.640 &rst ixpk= 0, nxpk= 0, iat=4239,4276, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 279 ILE H 280 LYS H 3.370 &rst ixpk= 0, nxpk= 0, iat=4220,4239, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, / # # 278 LYS H 280 LYS H 4.380 &rst ixpk= 0, nxpk= 0, iat=4198,4239, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 278 LYS HA 280 LYS H 4.840 &rst ixpk= 0, nxpk= 0, iat=4200,4239, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 277 GLU HA 280 LYS H 3.960 &rst ixpk= 0, nxpk= 0, iat=4185,4239, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, / # # 280 LYS H 281 GLU QB 5.500 &rst ixpk= 0, nxpk= 0, iat=4239, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4265,4266, / # # 279 ILE HB 280 LYS H 3.210 &rst ixpk= 0, nxpk= 0, iat=4224,4239, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, / # # 280 LYS H 280 LYS HB2 3.650 &rst ixpk= 0, nxpk= 0, iat=4239,4243, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 279 ILE HG13 280 LYS H 4.970 &rst ixpk= 0, nxpk= 0, iat=4231,4239, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 331 ILE QD1 332 LEU H 4.540 &rst ixpk= 0, nxpk= 0, iat= -1,5094, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=5088,5089,5090, / # # 329 ASP HA 332 LEU H 4.100 &rst ixpk= 0, nxpk= 0, iat=5043,5094, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 328 PRO HA 332 LEU H 4.500 &rst ixpk= 0, nxpk= 0, iat=5037,5094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 331 ILE HB 332 LEU H 3.600 &rst ixpk= 0, nxpk= 0, iat=5079,5094, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 332 LEU H 332 LEU QB 2.950 &rst ixpk= 0, nxpk= 0, iat=5094, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2=5098,5099, / # # 321 MET H 323 HID H 5.120 &rst ixpk= 0, nxpk= 0, iat=4922,4961, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 323 HID H 325 VAL H 4.840 &rst ixpk= 0, nxpk= 0, iat=4961,4985, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 322 LYS H 323 HID H 3.630 &rst ixpk= 0, nxpk= 0, iat=4939,4961, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 323 HID H 323 HID HB3 3.740 &rst ixpk= 0, nxpk= 0, iat=4961,4966, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 323 HID H 323 HID HB2 3.280 &rst ixpk= 0, nxpk= 0, iat=4961,4965, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, / # # 365 LYS H 366 LYS H 3.310 &rst ixpk= 0, nxpk= 0, iat=5657,5679, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 364 VAL H 366 LYS H 4.490 &rst ixpk= 0, nxpk= 0, iat=5641,5679, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 366 LYS H 368 LEU H 4.340 &rst ixpk= 0, nxpk= 0, iat=5679,5722, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 366 LYS H 367 TYR H 3.100 &rst ixpk= 0, nxpk= 0, iat=5679,5701, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, / # # 366 LYS H 367 TYR QD 5.000 &rst ixpk= 0, nxpk= 0, iat=5679, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=5709,5718, / # # 366 LYS H 367 TYR HA 5.500 &rst ixpk= 0, nxpk= 0, iat=5679,5703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 362 SER HA 366 LYS H 5.010 &rst ixpk= 0, nxpk= 0, iat=5616,5679, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 363 VAL HA 366 LYS H 4.550 &rst ixpk= 0, nxpk= 0, iat=5627,5679, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 364 VAL HA 366 LYS H 4.740 &rst ixpk= 0, nxpk= 0, iat=5643,5679, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 366 LYS H 366 LYS QB 2.740 &rst ixpk= 0, nxpk= 0, iat=5679, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, igr2=5683,5684, / # # 366 LYS H 366 LYS HG2 4.500 &rst ixpk= 0, nxpk= 0, iat=5679,5686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 365 LYS HG3 366 LYS H 4.320 &rst ixpk= 0, nxpk= 0, iat=5665,5679, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 295 ILE HG12 296 ILE H 4.410 &rst ixpk= 0, nxpk= 0, iat=4502,4511, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 295 ILE H 296 ILE H 3.660 &rst ixpk= 0, nxpk= 0, iat=4492,4511, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 323 HID H 324 GLY HA2 5.300 &rst ixpk= 0, nxpk= 0, iat=4961,4980, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 322 LYS HB3 323 HID H 3.920 &rst ixpk= 0, nxpk= 0, iat=4944,4961, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, / # # 322 LYS HB2 323 HID H 3.890 &rst ixpk= 0, nxpk= 0, iat=4943,4961, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 297 CYX H 299 ASN H 4.240 &rst ixpk= 0, nxpk= 0, iat=4530,4555, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 297 CYX H 298 GLU HB2 4.810 &rst ixpk= 0, nxpk= 0, iat=4530,4544, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 296 ILE H 297 CYX H 3.190 &rst ixpk= 0, nxpk= 0, iat=4511,4530, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, / # # 297 CYX H 298 GLU HA 5.340 &rst ixpk= 0, nxpk= 0, iat=4530,4542, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 297 CYX H 297 CYX HB3 3.660 &rst ixpk= 0, nxpk= 0, iat=4530,4535, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 293 LYS HA 297 CYX H 3.830 &rst ixpk= 0, nxpk= 0, iat=4457,4530, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 296 ILE HB 297 CYX H 3.280 &rst ixpk= 0, nxpk= 0, iat=4515,4530, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, / # # 295 ILE HB 297 CYX H 4.830 &rst ixpk= 0, nxpk= 0, iat=4496,4530, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 296 ILE QG2 297 CYX H 3.860 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1=4517,4518,4519, / # # 293 LYS HA 296 ILE H 4.930 &rst ixpk= 0, nxpk= 0, iat=4457,4511, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 292 ILE HA 296 ILE H 4.250 &rst ixpk= 0, nxpk= 0, iat=4438,4511, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 296 ILE H 296 ILE HB 3.290 &rst ixpk= 0, nxpk= 0, iat=4511,4515, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, / # # 295 ILE HB 296 ILE H 3.520 &rst ixpk= 0, nxpk= 0, iat=4496,4511, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 294 GLU HA 298 GLU H 4.870 &rst ixpk= 0, nxpk= 0, iat=4479,4540, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 298 GLU H 298 GLU HG2 3.850 &rst ixpk= 0, nxpk= 0, iat=4540,4547, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 297 CYX HB2 298 GLU H 4.900 &rst ixpk= 0, nxpk= 0, iat=4534,4540, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 292 ILE HA 295 ILE H 5.290 &rst ixpk= 0, nxpk= 0, iat=4438,4492, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 295 ILE H 296 ILE HB 4.530 &rst ixpk= 0, nxpk= 0, iat=4492,4515, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 295 ILE H 295 ILE HB 3.600 &rst ixpk= 0, nxpk= 0, iat=4492,4496, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 295 ILE H 295 ILE QD1 4.120 &rst ixpk= 0, nxpk= 0, iat=4492, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=4505,4506,4507, / # # 341 ALA H 342 LYS H 4.110 &rst ixpk= 0, nxpk= 0, iat=5249,5259, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, / # # 341 ALA QB 342 LYS H 4.610 &rst ixpk= 0, nxpk= 0, iat= -1,5259, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=5253,5254,5255, / # # 265 LYS H 265 LYS HG2 3.730 &rst ixpk= 0, nxpk= 0, iat=3983,3990, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 264 ARG HB3 265 LYS H 4.180 &rst ixpk= 0, nxpk= 0, iat=3964,3983, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 332 LEU H 333 GLU H 3.610 &rst ixpk= 0, nxpk= 0, iat=5094,5113, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, / # # 331 ILE H 333 GLU H 4.720 &rst ixpk= 0, nxpk= 0, iat=5075,5113, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 333 GLU H 334 LEU H 3.260 &rst ixpk= 0, nxpk= 0, iat=5113,5128, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, / # # 329 ASP HA 333 GLU H 4.900 &rst ixpk= 0, nxpk= 0, iat=5043,5113, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 333 GLU H 334 LEU HA 5.500 &rst ixpk= 0, nxpk= 0, iat=5113,5130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 331 ILE HA 333 GLU H 4.900 &rst ixpk= 0, nxpk= 0, iat=5077,5113, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 333 GLU H 333 GLU HG3 3.820 &rst ixpk= 0, nxpk= 0, iat=5113,5121, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, / # # 333 GLU H 333 GLU HB2 3.180 &rst ixpk= 0, nxpk= 0, iat=5113,5117, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, / # # 331 ILE HB 333 GLU H 5.410 &rst ixpk= 0, nxpk= 0, iat=5079,5113, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 333 GLU H 334 LEU HB2 5.500 &rst ixpk= 0, nxpk= 0, iat=5113,5132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 332 LEU QB 333 GLU H 3.270 &rst ixpk= 0, nxpk= 0, iat= -1,5113, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr1=5098,5099, / # # 332 LEU HG 333 GLU H 4.950 &rst ixpk= 0, nxpk= 0, iat=5101,5113, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 276 VAL QG2 333 GLU H 5.220 &rst ixpk= 0, nxpk= 0, iat= -1,5113, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=4177,4178,4179, / # # 332 LEU QD1 333 GLU H 4.850 &rst ixpk= 0, nxpk= 0, iat= -1,5113, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1=5103,5104,5105, / # # 332 LEU QD2 333 GLU H 4.850 &rst ixpk= 0, nxpk= 0, iat= -1,5113, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1=5107,5108,5109, / # # 329 ASP H 330 LYS H 3.160 &rst ixpk= 0, nxpk= 0, iat=5041,5053, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, / # # 328 PRO HD3 329 ASP H 4.330 &rst ixpk= 0, nxpk= 0, iat=5029,5041, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 328 PRO HD2 329 ASP H 4.040 &rst ixpk= 0, nxpk= 0, iat=5028,5041, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 329 ASP H 329 ASP HB3 3.690 &rst ixpk= 0, nxpk= 0, iat=5041,5046, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 328 PRO HB2 329 ASP H 4.190 &rst ixpk= 0, nxpk= 0, iat=5034,5041, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 268 VAL H 270 ARG H 4.320 &rst ixpk= 0, nxpk= 0, iat=4039,4077, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 265 LYS H 267 LEU H 4.840 &rst ixpk= 0, nxpk= 0, iat=3983,4020, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 267 LEU H 270 ARG H 5.350 &rst ixpk= 0, nxpk= 0, iat=4020,4077, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 263 LEU H 265 LYS H 4.840 &rst ixpk= 0, nxpk= 0, iat=3940,3983, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 262 GLU HA 265 LYS H 3.870 &rst ixpk= 0, nxpk= 0, iat=3927,3983, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 267 LEU HA 270 ARG H 4.670 &rst ixpk= 0, nxpk= 0, iat=4022,4077, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 270 ARG H 270 ARG QG 2.960 &rst ixpk= 0, nxpk= 0, iat=4077, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2=4084,4085, / # # 265 LYS H 265 LYS HG3 3.730 &rst ixpk= 0, nxpk= 0, iat=3983,3991, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 337 ARG H 339 SER H 5.250 &rst ixpk= 0, nxpk= 0, iat=5180,5216, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 336 PRO HA 337 ARG H 3.000 &rst ixpk= 0, nxpk= 0, iat=5176,5180, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 301 THR HA 337 ARG H 4.410 &rst ixpk= 0, nxpk= 0, iat=4593,5180, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 336 PRO HB2 337 ARG H 3.720 &rst ixpk= 0, nxpk= 0, iat=5173,5180, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 336 PRO HB3 337 ARG H 3.480 &rst ixpk= 0, nxpk= 0, iat=5174,5180, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, / # # 337 ARG H 337 ARG HB2 3.670 &rst ixpk= 0, nxpk= 0, iat=5180,5184, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, / # # 337 ARG H 337 ARG HG3 3.690 &rst ixpk= 0, nxpk= 0, iat=5180,5188, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 270 ARG H 271 ASP QB 4.490 &rst ixpk= 0, nxpk= 0, iat=4077, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=4105,4106, / # # 270 ARG H 270 ARG HB3 3.620 &rst ixpk= 0, nxpk= 0, iat=4077,4082, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 350 GLN HE21 351 LYS H 5.420 &rst ixpk= 0, nxpk= 0, iat=5411,5416, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 350 GLN HE22 351 LYS H 5.420 &rst ixpk= 0, nxpk= 0, iat=5412,5416, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 283 ILE HB 284 CYX H 3.550 &rst ixpk= 0, nxpk= 0, iat=4295,4310, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 284 CYX H 286 LYS H 4.970 &rst ixpk= 0, nxpk= 0, iat=4310,4334, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 284 CYX H 285 THR HB 4.850 &rst ixpk= 0, nxpk= 0, iat=4310,4324, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 281 GLU QB 284 CYX H 4.880 &rst ixpk= 0, nxpk= 0, iat= -1,4310, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1=4265,4266, / # # 284 CYX H 296 ILE QG2 5.270 &rst ixpk= 0, nxpk= 0, iat=4310, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2=4517,4518,4519, / # # 287 SER H 288 PRO HD3 4.690 &rst ixpk= 0, nxpk= 0, iat=4356,4369, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 287 SER H 288 PRO HA 5.000 &rst ixpk= 0, nxpk= 0, iat=4356,4377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 287 SER H 288 PRO HD2 4.690 &rst ixpk= 0, nxpk= 0, iat=4356,4368, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 286 LYS HB3 287 SER H 4.370 &rst ixpk= 0, nxpk= 0, iat=4339,4356, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 286 LYS HB2 287 SER H 4.790 &rst ixpk= 0, nxpk= 0, iat=4338,4356, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 314 TRP H 315 HIET H 4.040 &rst ixpk= 0, nxpk= 0, iat=4787,4811, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 281 GLU HA 284 CYX H 4.390 &rst ixpk= 0, nxpk= 0, iat=4263,4310, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 312 GLY HA2 315 HIET H 4.570 &rst ixpk= 0, nxpk= 0, iat=4770,4811, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 315 HIET H 315 HIET HB3 4.150 &rst ixpk= 0, nxpk= 0, iat=4811,4816, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 311 ARG QB 315 HIET H 5.240 &rst ixpk= 0, nxpk= 0, iat= -1,4811, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=4748,4749, / # # 298 GLU H 299 ASN H 3.790 &rst ixpk= 0, nxpk= 0, iat=4540,4555, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, / # # 299 ASN H 299 ASN HB3 4.140 &rst ixpk= 0, nxpk= 0, iat=4555,4560, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, / # # 299 ASN H 299 ASN HB2 4.140 &rst ixpk= 0, nxpk= 0, iat=4555,4559, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, / # # 298 GLU HB3 299 ASN H 5.010 &rst ixpk= 0, nxpk= 0, iat=4545,4555, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 295 ILE QG2 299 ASN H 4.970 &rst ixpk= 0, nxpk= 0, iat= -1,4555, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=4498,4499,4500, / # # 308 ASP HA 310 SER H 4.900 &rst ixpk= 0, nxpk= 0, iat=4699,4733, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 308 ASP HB3 310 SER H 5.220 &rst ixpk= 0, nxpk= 0, iat=4702,4733, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 310 SER H 340 LYS HD2 4.660 &rst ixpk= 0, nxpk= 0, iat=4733,5237, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 302 TYR QD 339 SER H 5.240 &rst ixpk= 0, nxpk= 0, iat= -1,5216, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=4613,4622, / # # 337 ARG HA 339 SER H 4.520 &rst ixpk= 0, nxpk= 0, iat=5182,5216, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 339 SER H 341 ALA H 4.880 &rst ixpk= 0, nxpk= 0, iat=5216,5249, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 338 ASP H 339 SER H 3.690 &rst ixpk= 0, nxpk= 0, iat=5204,5216, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 339 SER H 339 SER HB3 3.800 &rst ixpk= 0, nxpk= 0, iat=5216,5221, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 339 SER H 339 SER HB2 3.800 &rst ixpk= 0, nxpk= 0, iat=5216,5220, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 339 SER H 342 LYS HE3 5.040 &rst ixpk= 0, nxpk= 0, iat=5216,5273, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 339 SER H 342 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat=5216,5272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 338 ASP HB2 339 SER H 5.380 &rst ixpk= 0, nxpk= 0, iat=5208,5216, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 339 SER H 342 LYS HB2 4.260 &rst ixpk= 0, nxpk= 0, iat=5216,5263, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, / # # 358 SER H 359 LYS HG2 5.070 &rst ixpk= 0, nxpk= 0, iat=5547,5565, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 357 LEU HB2 358 SER H 3.720 &rst ixpk= 0, nxpk= 0, iat=5532,5547, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 356 THR QG2 358 SER H 5.480 &rst ixpk= 0, nxpk= 0, iat= -1,5547, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1=5520,5521,5522, / # # 357 LEU HB3 358 SER H 4.280 &rst ixpk= 0, nxpk= 0, iat=5533,5547, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, / # # 358 SER H 360 ALA QB 4.930 &rst ixpk= 0, nxpk= 0, iat=5547, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=5584,5585,5586, / # # 357 LEU QD2 358 SER H 4.790 &rst ixpk= 0, nxpk= 0, iat= -1,5547, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=5541,5542,5543, / # # 302 TYR H 338 ASP H 4.500 &rst ixpk= 0, nxpk= 0, iat=4605,5204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 337 ARG H 338 ASP H 3.620 &rst ixpk= 0, nxpk= 0, iat=5180,5204, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 301 THR HB 338 ASP H 4.540 &rst ixpk= 0, nxpk= 0, iat=4595,5204, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 338 ASP H 338 ASP HB2 3.830 &rst ixpk= 0, nxpk= 0, iat=5204,5208, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 336 PRO HB2 338 ASP H 4.030 &rst ixpk= 0, nxpk= 0, iat=5173,5204, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 337 ARG HB2 338 ASP H 4.000 &rst ixpk= 0, nxpk= 0, iat=5184,5204, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 337 ARG HG2 338 ASP H 4.030 &rst ixpk= 0, nxpk= 0, iat=5187,5204, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 301 THR QG2 338 ASP H 3.560 &rst ixpk= 0, nxpk= 0, iat= -1,5204, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1=4597,4598,4599, / # # 336 PRO HG2 338 ASP H 4.550 &rst ixpk= 0, nxpk= 0, iat=5170,5204, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 299 ASN HA 299 ASN HD21 4.450 &rst ixpk= 0, nxpk= 0, iat=4557,4564, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 299 ASN HA 299 ASN HD22 4.450 &rst ixpk= 0, nxpk= 0, iat=4557,4565, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 361 TRP H 362 SER H 3.410 &rst ixpk= 0, nxpk= 0, iat=5590,5614, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, / # # 359 LYS H 362 SER H 5.410 &rst ixpk= 0, nxpk= 0, iat=5558,5614, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 362 SER H 364 VAL H 4.660 &rst ixpk= 0, nxpk= 0, iat=5614,5641, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 360 ALA HA 362 SER H 4.890 &rst ixpk= 0, nxpk= 0, iat=5582,5614, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 361 TRP HB3 362 SER H 3.550 &rst ixpk= 0, nxpk= 0, iat=5595,5614, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 362 SER H 363 VAL HB 5.370 &rst ixpk= 0, nxpk= 0, iat=5614,5629, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 359 LYS QB 362 SER H 4.920 &rst ixpk= 0, nxpk= 0, iat= -1,5614, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=5562,5563, / # # 306 ASN HB3 306 ASN HD21 3.660 &rst ixpk= 0, nxpk= 0, iat=4669,4673, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 302 TYR HA 305 VAL H 4.250 &rst ixpk= 0, nxpk= 0, iat=4607,4648, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 306 ASN HB3 306 ASN HD22 3.660 &rst ixpk= 0, nxpk= 0, iat=4669,4674, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 271 ASP QB 273 GLY H 4.150 &rst ixpk= 0, nxpk= 0, iat= -1,4124, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=4105,4106, / # # 273 GLY H 274 LYS QB 5.120 &rst ixpk= 0, nxpk= 0, iat=4124, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=4135,4136, / # # 271 ASP HA 273 GLY H 4.380 &rst ixpk= 0, nxpk= 0, iat=4103,4124, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 303 ALA H 305 VAL H 4.950 &rst ixpk= 0, nxpk= 0, iat=4626,4648, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 301 THR H 305 VAL H 4.970 &rst ixpk= 0, nxpk= 0, iat=4591,4648, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 304 ASP H 305 VAL H 3.710 &rst ixpk= 0, nxpk= 0, iat=4636,4648, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 273 GLY H 274 LYS QD 5.500 &rst ixpk= 0, nxpk= 0, iat=4124, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4141,4142, / # # 348 ASN HD22 350 GLN H 4.380 &rst ixpk= 0, nxpk= 0, iat=5381,5399, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 348 ASN HD22 351 LYS H 3.930 &rst ixpk= 0, nxpk= 0, iat=5381,5416, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 348 ASN HD22 350 GLN QB 4.620 &rst ixpk= 0, nxpk= 0, iat=5381, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=5403,5404, / # # 348 ASN HD21 350 GLN QG 4.410 &rst ixpk= 0, nxpk= 0, iat=5380, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=5406,5407, / # # 348 ASN HD21 350 GLN QB 5.070 &rst ixpk= 0, nxpk= 0, iat=5380, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=5403,5404, / # # 272 SER H 326 THR H 4.490 &rst ixpk= 0, nxpk= 0, iat=4113,5001, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 271 ASP HA 326 THR H 4.120 &rst ixpk= 0, nxpk= 0, iat=4103,5001, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, / # # 325 VAL HA 326 THR H 3.210 &rst ixpk= 0, nxpk= 0, iat=4987,5001, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, / # # 271 ASP QB 326 THR H 4.160 &rst ixpk= 0, nxpk= 0, iat= -1,5001, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1=4105,4106, / # # 326 THR H 326 THR QG2 3.310 &rst ixpk= 0, nxpk= 0, iat=5001, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=5007,5008,5009, / # # 321 MET HA 326 THR H 5.010 &rst ixpk= 0, nxpk= 0, iat=4924,5001, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 312 GLY H 313 ASP H 3.970 &rst ixpk= 0, nxpk= 0, iat=4768,4775, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, / # # 309 ARG HA 312 GLY H 4.590 &rst ixpk= 0, nxpk= 0, iat=4711,4768, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 307 ILE QG1 312 GLY H 4.500 &rst ixpk= 0, nxpk= 0, iat= -1,4768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=4688,4689, / # # 302 TYR QD 312 GLY H 5.110 &rst ixpk= 0, nxpk= 0, iat= -1,4768, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=4613,4622, / # # 285 THR H 286 LYS H 3.110 &rst ixpk= 0, nxpk= 0, iat=4320,4334, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, / # # 282 GLU HA 285 THR H 4.910 &rst ixpk= 0, nxpk= 0, iat=4278,4320, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 283 ILE HA 285 THR H 5.410 &rst ixpk= 0, nxpk= 0, iat=4293,4320, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 284 CYX QB 285 THR H 4.180 &rst ixpk= 0, nxpk= 0, iat= -1,4320, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=4314,4315, / # # 284 CYX H 285 THR H 3.570 &rst ixpk= 0, nxpk= 0, iat=4310,4320, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 285 THR H 285 THR HB 3.590 &rst ixpk= 0, nxpk= 0, iat=4320,4324, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, / # # 300 LYS HA 301 THR H 3.330 &rst ixpk= 0, nxpk= 0, iat=4571,4591, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, / # # 301 THR H 304 ASP HB3 3.950 &rst ixpk= 0, nxpk= 0, iat=4591,4641, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 301 THR H 304 ASP HB2 3.950 &rst ixpk= 0, nxpk= 0, iat=4591,4640, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 300 LYS HB3 301 THR H 3.930 &rst ixpk= 0, nxpk= 0, iat=4574,4591, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 300 LYS HG2 301 THR H 4.180 &rst ixpk= 0, nxpk= 0, iat=4576,4591, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 300 LYS HB2 301 THR H 3.870 &rst ixpk= 0, nxpk= 0, iat=4573,4591, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 324 GLY H 325 VAL H 3.310 &rst ixpk= 0, nxpk= 0, iat=4978,4985, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 322 LYS H 324 GLY H 5.290 &rst ixpk= 0, nxpk= 0, iat=4939,4978, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 323 HID HB3 324 GLY H 4.360 &rst ixpk= 0, nxpk= 0, iat=4966,4978, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 323 HID HB2 324 GLY H 4.230 &rst ixpk= 0, nxpk= 0, iat=4965,4978, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, / # # 324 GLY H 325 VAL HB 5.300 &rst ixpk= 0, nxpk= 0, iat=4978,4989, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 324 GLY HA2 326 THR QG2 4.000 &rst ixpk= 0, nxpk= 0, iat=4980, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=5007,5008,5009, / # # 311 ARG HA 311 ARG HD2 5.470 &rst ixpk= 0, nxpk= 0, iat=4746,4754, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 301 THR HB 337 ARG QD 5.500 &rst ixpk= 0, nxpk= 0, iat=4595, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5190,5191, / # # 337 ARG HA 337 ARG QD 4.660 &rst ixpk= 0, nxpk= 0, iat=5182, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=5190,5191, / # # 342 LYS HA 342 LYS HE3 4.080 &rst ixpk= 0, nxpk= 0, iat=5261,5273, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, / # # 357 LEU HB2 358 SER HA 5.500 &rst ixpk= 0, nxpk= 0, iat=5532,5549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 321 MET QE 357 LEU HB2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5532, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4933,4934,4935, / # # 357 LEU HB3 358 SER HA 4.750 &rst ixpk= 0, nxpk= 0, iat=5533,5549, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 270 ARG HA 270 ARG HD3 4.090 &rst ixpk= 0, nxpk= 0, iat=4079,4088, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 270 ARG HB3 270 ARG HD3 3.770 &rst ixpk= 0, nxpk= 0, iat=4082,4088, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 270 ARG QG 270 ARG HD3 2.980 &rst ixpk= 0, nxpk= 0, iat= -1,4088, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr1=4084,4085, / # # 270 ARG HD3 361 TRP HZ2 4.230 &rst ixpk= 0, nxpk= 0, iat=4088,5603, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, / # # 270 ARG QG 270 ARG HD2 2.980 &rst ixpk= 0, nxpk= 0, iat= -1,4087, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr1=4084,4085, / # # 270 ARG HA 270 ARG HD2 4.090 &rst ixpk= 0, nxpk= 0, iat=4079,4087, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 270 ARG HB3 270 ARG HD2 3.770 &rst ixpk= 0, nxpk= 0, iat=4082,4087, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 264 ARG HD2 328 PRO HG3 4.990 &rst ixpk= 0, nxpk= 0, iat=3969,5032, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 264 ARG HA 264 ARG HD2 4.000 &rst ixpk= 0, nxpk= 0, iat=3961,3969, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 264 ARG HB2 264 ARG HD2 4.550 &rst ixpk= 0, nxpk= 0, iat=3963,3969, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 368 LEU HB2 369 GLU HG3 5.230 &rst ixpk= 0, nxpk= 0, iat=5726,5749, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, / # # 368 LEU HB2 368 LEU QD1 3.360 &rst ixpk= 0, nxpk= 0, iat=5726, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=5731,5732,5733, / # # 368 LEU HB3 369 GLU HG3 5.470 &rst ixpk= 0, nxpk= 0, iat=5727,5749, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 365 LYS HA 368 LEU HB3 4.500 &rst ixpk= 0, nxpk= 0, iat=5659,5727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 300 LYS QD 300 LYS HE2 2.800 &rst ixpk= 0, nxpk= 0, iat= -1,4582, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=4579,4580, / # # 340 LYS HA 340 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat=5229,5241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 286 LYS HA 286 LYS QE 4.600 &rst ixpk= 0, nxpk= 0, iat=4336, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=4347,4348, / # # 286 LYS QD 286 LYS QE 2.850 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr1=4344,4345, igr2=4347,4348, / # # 286 LYS HG2 286 LYS QE 3.010 &rst ixpk= 0, nxpk= 0, iat=4341, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2=4347,4348, / # # 274 LYS QD 278 LYS QE 3.850 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=4141,4142, igr2=4211,4212, / # # 330 LYS HG3 330 LYS HE3 4.150 &rst ixpk= 0, nxpk= 0, iat=5061,5067, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 272 SER HA 274 LYS QE 5.130 &rst ixpk= 0, nxpk= 0, iat=4115, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=4144,4145, / # # 366 LYS QD 366 LYS QE 2.460 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, igr1=5689,5690, igr2=5692,5693, / # # 274 LYS HA 274 LYS QE 4.510 &rst ixpk= 0, nxpk= 0, iat=4133, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=4144,4145, / # # 330 LYS HG3 330 LYS HE2 3.800 &rst ixpk= 0, nxpk= 0, iat=5061,5066, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 351 LYS HA 351 LYS HE3 4.900 &rst ixpk= 0, nxpk= 0, iat=5418,5430, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 351 LYS HG2 351 LYS HE3 3.680 &rst ixpk= 0, nxpk= 0, iat=5423,5430, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 351 LYS HB3 351 LYS HE3 4.770 &rst ixpk= 0, nxpk= 0, iat=5421,5430, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 351 LYS HA 351 LYS HE2 4.900 &rst ixpk= 0, nxpk= 0, iat=5418,5429, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 351 LYS HG2 351 LYS HE2 3.680 &rst ixpk= 0, nxpk= 0, iat=5423,5429, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 351 LYS HB3 351 LYS HE2 4.770 &rst ixpk= 0, nxpk= 0, iat=5421,5429, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 318 LEU HB2 319 TYR HA 5.000 &rst ixpk= 0, nxpk= 0, iat=4867,4884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 278 LYS HA 278 LYS QE 3.650 &rst ixpk= 0, nxpk= 0, iat=4200, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2=4211,4212, / # # 278 LYS HB2 278 LYS QE 3.430 &rst ixpk= 0, nxpk= 0, iat=4202, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2=4211,4212, / # # 274 LYS QB 278 LYS QE 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=4135,4136, igr2=4211,4212, / # # 265 LYS HA 265 LYS QE 4.180 &rst ixpk= 0, nxpk= 0, iat=3985, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=3996,3997, / # # 280 LYS HA 280 LYS HE2 4.820 &rst ixpk= 0, nxpk= 0, iat=4241,4252, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 274 LYS QE 275 PRO HD2 5.380 &rst ixpk= 0, nxpk= 0, iat= -1,4154, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=4144,4145, / # # 293 LYS HA 293 LYS QE 5.500 &rst ixpk= 0, nxpk= 0, iat=4457, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4468,4469, / # # 265 LYS HB3 265 LYS QE 3.100 &rst ixpk= 0, nxpk= 0, iat=3988, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=3996,3997, / # # 269 LYS QE 270 ARG QG 3.320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1=4068,4069, igr2=4084,4085, / # # 366 LYS QE 367 TYR QD 4.580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=5692,5693, igr2=5709,5718, / # # 366 LYS QE 367 TYR QE 3.860 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=5692,5693, igr2=5711,5716, / # # 366 LYS HG2 366 LYS QE 3.110 &rst ixpk= 0, nxpk= 0, iat=5686, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2=5692,5693, / # # 300 LYS HG3 304 ASP HB2 5.500 &rst ixpk= 0, nxpk= 0, iat=4577,4640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 332 LEU QB 353 PHE QD 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=5098,5099, igr2=5467,5475, / # # 332 LEU QB 342 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=5098,5099, / # # 365 LYS QB 365 LYS HE3 4.050 &rst ixpk= 0, nxpk= 0, iat= -1,5671, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1=5661,5662, / # # 362 SER HA 365 LYS HE3 4.150 &rst ixpk= 0, nxpk= 0, iat=5616,5671, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 365 LYS QD 365 LYS HE3 2.920 &rst ixpk= 0, nxpk= 0, iat= -1,5671, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr1=5667,5668, / # # 362 SER HA 365 LYS HE2 4.150 &rst ixpk= 0, nxpk= 0, iat=5616,5670, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 365 LYS QD 365 LYS HE2 2.920 &rst ixpk= 0, nxpk= 0, iat= -1,5670, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr1=5667,5668, / # # 322 LYS HB3 322 LYS HE3 4.970 &rst ixpk= 0, nxpk= 0, iat=4944,4953, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 318 LEU HB3 322 LYS HE3 3.830 &rst ixpk= 0, nxpk= 0, iat=4868,4953, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 322 LYS HE3 364 VAL QG1 6.390 &rst ixpk= 0, nxpk= 0, iat=4953, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, igr2=5647,5648,5649, / # # 319 TYR HA 322 LYS HE3 5.380 &rst ixpk= 0, nxpk= 0, iat=4884,4953, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 322 LYS HE2 364 VAL QG1 6.390 &rst ixpk= 0, nxpk= 0, iat=4952, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, igr2=5647,5648,5649, / # # 322 LYS HE2 367 TYR QE 5.150 &rst ixpk= 0, nxpk= 0, iat=4952, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=5711,5716, / # # 322 LYS HB3 322 LYS HE2 4.970 &rst ixpk= 0, nxpk= 0, iat=4944,4952, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 318 LEU HB3 322 LYS HE2 3.830 &rst ixpk= 0, nxpk= 0, iat=4868,4952, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 263 LEU HB3 267 LEU QD1 5.360 &rst ixpk= 0, nxpk= 0, iat=3945, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2=4029,4030,4031, / # # 263 LEU HB2 361 TRP HD1 5.430 &rst ixpk= 0, nxpk= 0, iat=3944,5598, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 284 CYX QB 297 CYX HB2 4.610 &rst ixpk= 0, nxpk= 0, iat= -1,4534, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1=4314,4315, / # # 284 CYX QB 285 THR QG2 5.200 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1=4314,4315, igr2=4326,4327,4328, / # # 355 ILE QG2 359 LYS QE 5.280 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr1=5501,5502,5503, igr2=5571,5572, / # # 356 THR HA 359 LYS QE 4.910 &rst ixpk= 0, nxpk= 0, iat=5516, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=5571,5572, / # # 359 LYS HA 359 LYS QE 5.320 &rst ixpk= 0, nxpk= 0, iat=5560, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=5571,5572, / # # 314 TRP HZ3 359 LYS QE 4.160 &rst ixpk= 0, nxpk= 0, iat=4804, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=5571,5572, / # # 263 LEU HB3 264 ARG HG2 4.380 &rst ixpk= 0, nxpk= 0, iat=3945,3966, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 344 ASN HB3 349 THR HA 5.390 &rst ixpk= 0, nxpk= 0, iat=5301,5387, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 267 LEU HB3 328 PRO HD3 4.680 &rst ixpk= 0, nxpk= 0, iat=4025,5029, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, / # # 267 LEU HB3 327 ASP HA 5.030 &rst ixpk= 0, nxpk= 0, iat=4025,5017, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, / # # 267 LEU HB3 326 THR HB 4.780 &rst ixpk= 0, nxpk= 0, iat=4025,5005, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 267 LEU HB3 328 PRO HD2 4.880 &rst ixpk= 0, nxpk= 0, iat=4025,5028, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 316 VAL HA 319 TYR QB 5.160 &rst ixpk= 0, nxpk= 0, iat=4830, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=4886,4887, / # # 267 LEU HB2 327 ASP HA 5.280 &rst ixpk= 0, nxpk= 0, iat=4024,5017, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 297 CYX HB3 298 GLU HG2 5.000 &rst ixpk= 0, nxpk= 0, iat=4535,4547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 315 HIET HA 319 TYR QB 5.500 &rst ixpk= 0, nxpk= 0, iat=4813, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4886,4887, / # # 283 ILE HB 296 ILE HB 5.220 &rst ixpk= 0, nxpk= 0, iat=4295,4515, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 283 ILE HB 319 TYR QE 5.130 &rst ixpk= 0, nxpk= 0, iat=4295, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=4892,4897, / # # 347 TRP HE3 352 TYR HB2 4.820 &rst ixpk= 0, nxpk= 0, iat=5366,5442, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 331 ILE HB 353 PHE QE 5.190 &rst ixpk= 0, nxpk= 0, iat=5079, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2=5469,5473, / # # 367 TYR HB2 368 LEU HA 4.800 &rst ixpk= 0, nxpk= 0, iat=5705,5724, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 352 TYR HA 355 ILE HB 3.500 &rst ixpk= 0, nxpk= 0, iat=5440,5499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 306 ASN HB3 307 ILE HB 5.120 &rst ixpk= 0, nxpk= 0, iat=4669,4682, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 306 ASN HB3 307 ILE QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4669, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4684,4685,4686, / # # 306 ASN HA 306 ASN HB2 2.870 &rst ixpk= 0, nxpk= 0, iat=4666,4668, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, / # # 282 GLU HA 282 GLU HG2 3.570 &rst ixpk= 0, nxpk= 0, iat=4278,4283, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 365 LYS HA 369 GLU HG3 5.280 &rst ixpk= 0, nxpk= 0, iat=5659,5749, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 369 GLU HB3 369 GLU HG2 2.900 &rst ixpk= 0, nxpk= 0, iat=5746,5748, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 275 PRO HG2 277 GLU QG 2.730 &rst ixpk= 0, nxpk= 0, iat=4157, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, igr2=4190,4191, / # # 281 GLU QB 281 GLU QG 2.700 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr1=4265,4266, igr2=4268,4269, / # # 277 GLU QG 278 LYS HA 4.460 &rst ixpk= 0, nxpk= 0, iat= -1,4200, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=4190,4191, / # # 278 LYS HA 281 GLU QG 4.630 &rst ixpk= 0, nxpk= 0, iat=4200, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=4268,4269, / # # 277 GLU HA 277 GLU QG 3.570 &rst ixpk= 0, nxpk= 0, iat=4185, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=4190,4191, / # # 277 GLU QG 278 LYS HG2 3.630 &rst ixpk= 0, nxpk= 0, iat= -1,4205, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=4190,4191, / # # 276 VAL QG1 277 GLU QG 4.960 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1=4173,4174,4175, igr2=4190,4191, / # # 276 VAL QG2 277 GLU QG 4.960 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1=4177,4178,4179, igr2=4190,4191, / # # 330 LYS HE2 333 GLU HG2 4.840 &rst ixpk= 0, nxpk= 0, iat=5066,5120, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 262 GLU QB 262 GLU HG2 2.930 &rst ixpk= 0, nxpk= 0, iat= -1,3932, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr1=3929,3930, / # # 333 GLU HB2 333 GLU HG2 2.930 &rst ixpk= 0, nxpk= 0, iat=5117,5120, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 330 LYS HA 333 GLU HG2 3.180 &rst ixpk= 0, nxpk= 0, iat=5055,5120, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, / # # 369 GLU HA 369 GLU HG2 3.420 &rst ixpk= 0, nxpk= 0, iat=5743,5748, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, / # # 330 LYS HE2 333 GLU HG3 3.870 &rst ixpk= 0, nxpk= 0, iat=5066,5121, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 298 GLU HA 298 GLU HG3 3.910 &rst ixpk= 0, nxpk= 0, iat=4542,4548, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 298 GLU HG3 300 LYS HG3 4.870 &rst ixpk= 0, nxpk= 0, iat=4548,4577, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 263 LEU HA 266 GLU HG3 4.570 &rst ixpk= 0, nxpk= 0, iat=3942,4013, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 266 GLU HA 266 GLU HG3 3.940 &rst ixpk= 0, nxpk= 0, iat=4007,4013, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, / # # 266 GLU HG3 269 LYS QE 5.250 &rst ixpk= 0, nxpk= 0, iat=4013, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=4068,4069, / # # 343 GLU HA 343 GLU HG3 3.840 &rst ixpk= 0, nxpk= 0, iat=5283,5289, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 343 GLU HG2 349 THR QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=5288, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5391,5392,5393, / # # 343 GLU HG3 349 THR QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=5289, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5391,5392,5393, / # # 288 PRO HA 292 ILE HB 5.130 &rst ixpk= 0, nxpk= 0, iat=4377,4440, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, / # # 321 MET HB2 364 VAL QG2 4.640 &rst ixpk= 0, nxpk= 0, iat=4926, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=5651,5652,5653, / # # 301 THR HB 336 PRO HB2 4.880 &rst ixpk= 0, nxpk= 0, iat=4595,5173, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 295 ILE QG2 336 PRO HB2 4.770 &rst ixpk= 0, nxpk= 0, iat= -1,5173, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1=4498,4499,4500, / # # 350 GLN QG 351 LYS HA 5.040 &rst ixpk= 0, nxpk= 0, iat= -1,5418, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr1=5406,5407, / # # 350 GLN QG 351 LYS HG2 4.700 &rst ixpk= 0, nxpk= 0, iat= -1,5423, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=5406,5407, / # # 350 GLN QG 354 VAL QG1 4.550 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1=5406,5407, igr2=5485,5486,5487, / # # 350 GLN QG 354 VAL QG2 4.550 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1=5406,5407, igr2=5489,5490,5491, / # # 300 LYS HB3 300 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat=4574,4582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 300 LYS HB3 300 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat=4574,4583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 346 LYS HB2 346 LYS QE 4.760 &rst ixpk= 0, nxpk= 0, iat=5329, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=5338,5339, / # # 274 LYS QB 274 LYS QD 3.520 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr1=4135,4136, igr2=4141,4142, / # # 350 GLN HA 350 GLN QG 3.050 &rst ixpk= 0, nxpk= 0, iat=5401, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=5406,5407, / # # 350 GLN QB 350 GLN QG 2.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, igr1=5403,5404, igr2=5406,5407, / # # 330 LYS HB2 330 LYS HE2 5.380 &rst ixpk= 0, nxpk= 0, iat=5057,5066, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 330 LYS HB2 330 LYS HE3 4.970 &rst ixpk= 0, nxpk= 0, iat=5057,5067, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 330 LYS HB3 330 LYS HE3 4.950 &rst ixpk= 0, nxpk= 0, iat=5058,5067, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 275 PRO HB3 277 GLU QG 4.350 &rst ixpk= 0, nxpk= 0, iat=4161, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=4190,4191, / # # 265 LYS HA 269 LYS HB3 4.690 &rst ixpk= 0, nxpk= 0, iat=3985,4060, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 269 LYS HB3 269 LYS QE 4.090 &rst ixpk= 0, nxpk= 0, iat=4060, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2=4068,4069, / # # 269 LYS HB3 269 LYS HD3 2.850 &rst ixpk= 0, nxpk= 0, iat=4060,4066, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 274 LYS QD 278 LYS HB3 4.670 &rst ixpk= 0, nxpk= 0, iat= -1,4203, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=4141,4142, / # # 275 PRO HB2 276 VAL QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4177,4178,4179, / # # 314 TRP HH2 363 VAL HB 4.760 &rst ixpk= 0, nxpk= 0, iat=4802,5629, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 360 ALA HA 363 VAL HB 3.900 &rst ixpk= 0, nxpk= 0, iat=5582,5629, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 275 PRO HG2 278 LYS HB2 3.860 &rst ixpk= 0, nxpk= 0, iat=4157,4202, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 278 LYS HB3 278 LYS QD 3.680 &rst ixpk= 0, nxpk= 0, iat=4203, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=4208,4209, / # # 366 LYS QB 367 TYR QE 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=5683,5684, igr2=5711,5716, / # # 363 VAL HA 366 LYS QB 3.990 &rst ixpk= 0, nxpk= 0, iat=5627, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=5683,5684, / # # 366 LYS QB 366 LYS QE 3.910 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1=5683,5684, igr2=5692,5693, / # # 366 LYS QB 369 GLU HB2 5.370 &rst ixpk= 0, nxpk= 0, iat= -1,5745, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1=5683,5684, / # # 366 LYS QB 367 TYR QD 4.600 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=5683,5684, igr2=5709,5718, / # # 302 TYR HA 305 VAL HB 4.740 &rst ixpk= 0, nxpk= 0, iat=4607,4652, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 300 LYS QD 305 VAL HB 5.480 &rst ixpk= 0, nxpk= 0, iat= -1,4652, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=4579,4580, / # # 305 VAL HB 307 ILE HB 5.500 &rst ixpk= 0, nxpk= 0, iat=4652,4682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 295 ILE QD1 305 VAL HB 4.600 &rst ixpk= 0, nxpk= 0, iat= -1,4652, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=4505,4506,4507, / # # 291 LEU QD2 305 VAL HB 3.940 &rst ixpk= 0, nxpk= 0, iat= -1,4652, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=4430,4431,4432, / # # 265 LYS HA 268 VAL HB 5.000 &rst ixpk= 0, nxpk= 0, iat=3985,4043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 276 VAL HB 280 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat=4171,4252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 276 VAL HB 330 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat=4171,5066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 361 TRP HA 364 VAL HB 4.530 &rst ixpk= 0, nxpk= 0, iat=5592,5645, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 286 LYS HB2 286 LYS QE 4.620 &rst ixpk= 0, nxpk= 0, iat=4338, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=4347,4348, / # # 283 ILE QG2 286 LYS HB2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4338, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4297,4298,4299, / # # 343 GLU HA 343 GLU QB 2.850 &rst ixpk= 0, nxpk= 0, iat=5283, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2=5285,5286, / # # 311 ARG HA 314 TRP HB3 4.690 &rst ixpk= 0, nxpk= 0, iat=4746,4792, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 284 CYX HA 288 PRO HB3 5.070 &rst ixpk= 0, nxpk= 0, iat=4312,4375, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 307 ILE QD1 311 ARG HG2 5.310 &rst ixpk= 0, nxpk= 0, iat= -1,4751, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=4691,4692,4693, / # # 278 LYS HA 281 GLU QB 4.080 &rst ixpk= 0, nxpk= 0, iat=4200, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=4265,4266, / # # 288 PRO HB2 292 ILE QG2 4.370 &rst ixpk= 0, nxpk= 0, iat=4374, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=4442,4443,4444, / # # 267 LEU QD2 270 ARG HB3 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4082, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4033,4034,4035, / # # 267 LEU HA 270 ARG HB2 4.100 &rst ixpk= 0, nxpk= 0, iat=4022,4081, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 270 ARG HB2 326 THR QG2 4.150 &rst ixpk= 0, nxpk= 0, iat=4081, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2=5007,5008,5009, / # # 330 LYS HB3 330 LYS QD 4.030 &rst ixpk= 0, nxpk= 0, iat=5058, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=5063,5064, / # # 336 PRO HB2 337 ARG HB3 5.050 &rst ixpk= 0, nxpk= 0, iat=5173,5185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 298 GLU HB2 300 LYS HB2 4.630 &rst ixpk= 0, nxpk= 0, iat=4544,4573, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, / # # 266 GLU QB 361 TRP HZ2 4.700 &rst ixpk= 0, nxpk= 0, iat= -1,5603, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=4009,4010, / # # 333 GLU HB2 334 LEU HG 4.090 &rst ixpk= 0, nxpk= 0, iat=5117,5135, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 265 LYS HA 265 LYS QD 4.360 &rst ixpk= 0, nxpk= 0, iat=3985, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=3993,3994, / # # 322 LYS HD2 367 TYR QE 5.500 &rst ixpk= 0, nxpk= 0, iat=4949, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5711,5716, / # # 322 LYS HB2 322 LYS HD2 3.720 &rst ixpk= 0, nxpk= 0, iat=4943,4949, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 322 LYS HB3 322 LYS HD2 3.980 &rst ixpk= 0, nxpk= 0, iat=4944,4949, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 262 GLU QB 263 LEU HA 4.270 &rst ixpk= 0, nxpk= 0, iat= -1,3942, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=3929,3930, / # # 263 LEU HA 266 GLU QB 4.490 &rst ixpk= 0, nxpk= 0, iat=3942, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=4009,4010, / # # 347 TRP HE3 355 ILE QG1 5.150 &rst ixpk= 0, nxpk= 0, iat=5366, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=5505,5506, / # # 352 TYR HA 355 ILE QG1 3.510 &rst ixpk= 0, nxpk= 0, iat=5440, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2=5505,5506, / # # 266 GLU HA 269 LYS HD3 3.310 &rst ixpk= 0, nxpk= 0, iat=4007,4066, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 307 ILE QG2 307 ILE QG1 3.710 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1=4684,4685,4686, igr2=4688,4689, / # # 298 GLU HB3 300 LYS QD 3.680 &rst ixpk= 0, nxpk= 0, iat=4545, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=4579,4580, / # # 300 LYS HB3 300 LYS QD 3.590 &rst ixpk= 0, nxpk= 0, iat=4574, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2=4579,4580, / # # 300 LYS QD 304 ASP HB3 3.940 &rst ixpk= 0, nxpk= 0, iat= -1,4641, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=4579,4580, / # # 351 LYS HA 351 LYS HD3 4.340 &rst ixpk= 0, nxpk= 0, iat=5418,5427, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 361 TRP HZ3 365 LYS QD 5.500 &rst ixpk= 0, nxpk= 0, iat=5607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5667,5668, / # # 264 ARG HB3 264 ARG HD2 4.150 &rst ixpk= 0, nxpk= 0, iat=3964,3969, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 283 ILE HA 286 LYS QD 4.970 &rst ixpk= 0, nxpk= 0, iat=4293, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=4344,4345, / # # 286 LYS HA 286 LYS QD 4.240 &rst ixpk= 0, nxpk= 0, iat=4336, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=4344,4345, / # # 366 LYS QD 367 TYR QE 4.660 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=5689,5690, igr2=5711,5716, / # # 366 LYS HA 366 LYS QD 4.330 &rst ixpk= 0, nxpk= 0, iat=5681, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=5689,5690, / # # 307 ILE HB 307 ILE QG1 2.650 &rst ixpk= 0, nxpk= 0, iat=4682, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, igr2=4688,4689, / # # 366 LYS HG2 366 LYS QD 2.910 &rst ixpk= 0, nxpk= 0, iat=5686, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=5689,5690, / # # 261 GLU HB2 261 GLU QG 2.840 &rst ixpk= 0, nxpk= 0, iat=3914, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2=3917,3918, / # # 277 GLU QB 278 LYS HG2 4.620 &rst ixpk= 0, nxpk= 0, iat= -1,4205, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=4187,4188, / # # 337 ARG HA 342 LYS QD 3.930 &rst ixpk= 0, nxpk= 0, iat=5182, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=5269,5270, / # # 342 LYS HB2 342 LYS QD 3.870 &rst ixpk= 0, nxpk= 0, iat=5263, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=5269,5270, / # # 332 LEU QB 342 LYS QD 4.400 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=5098,5099, igr2=5269,5270, / # # 279 ILE HG13 283 ILE QD1 4.860 &rst ixpk= 0, nxpk= 0, iat=4231, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=4304,4305,4306, / # # 283 ILE QD1 296 ILE QG1 5.190 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=4304,4305,4306, igr2=4521,4522, / # # 350 GLN QB 351 LYS HA 5.410 &rst ixpk= 0, nxpk= 0, iat= -1,5418, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=5403,5404, / # # 350 GLN QB 351 LYS HG2 4.210 &rst ixpk= 0, nxpk= 0, iat= -1,5423, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=5403,5404, / # # 275 PRO HG3 278 LYS HG2 3.850 &rst ixpk= 0, nxpk= 0, iat=4158,4205, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 289 PRO HG3 292 ILE QG2 5.140 &rst ixpk= 0, nxpk= 0, iat=4386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4442,4443,4444, / # # 275 PRO HD3 278 LYS QD 5.500 &rst ixpk= 0, nxpk= 0, iat=4155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4208,4209, / # # 264 ARG HD2 328 PRO HG2 5.080 &rst ixpk= 0, nxpk= 0, iat=3969,5031, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, / # # 334 LEU HG 335 LEU H 5.500 &rst ixpk= 0, nxpk= 0, iat=5135,5147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 295 ILE HG12 302 TYR QD 5.240 &rst ixpk= 0, nxpk= 0, iat=4502, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=4613,4622, / # # 337 ARG HA 342 LYS HG3 5.010 &rst ixpk= 0, nxpk= 0, iat=5182,5267, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 320 LEU HA 320 LEU QD1 3.970 &rst ixpk= 0, nxpk= 0, iat=4905, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=4912,4913,4914, / # # 270 ARG HA 270 ARG QG 3.300 &rst ixpk= 0, nxpk= 0, iat=4079, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2=4084,4085, / # # 261 GLU HA 264 ARG HG3 5.100 &rst ixpk= 0, nxpk= 0, iat=3912,3967, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 264 ARG HG3 328 PRO HG3 5.310 &rst ixpk= 0, nxpk= 0, iat=3967,5032, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, / # # 261 GLU HA 264 ARG HG2 5.120 &rst ixpk= 0, nxpk= 0, iat=3912,3966, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 264 ARG HA 264 ARG HG2 3.790 &rst ixpk= 0, nxpk= 0, iat=3961,3966, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, / # # 291 LEU HG 307 ILE QG2 4.220 &rst ixpk= 0, nxpk= 0, iat=4424, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=4684,4685,4686, / # # 291 LEU HG 307 ILE QD1 3.270 &rst ixpk= 0, nxpk= 0, iat=4424, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=4691,4692,4693, / # # 318 LEU HG 360 ALA QB 3.830 &rst ixpk= 0, nxpk= 0, iat=4870, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=5584,5585,5586, / # # 289 PRO HD3 292 ILE QG1 5.290 &rst ixpk= 0, nxpk= 0, iat=4383, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=4446,4447, / # # 292 ILE QG1 296 ILE QD1 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=4446,4447, igr2=4524,4525,4526, / # # 319 TYR QB 320 LEU HG 5.240 &rst ixpk= 0, nxpk= 0, iat= -1,4910, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=4886,4887, / # # 361 TRP HZ3 368 LEU HG 5.500 &rst ixpk= 0, nxpk= 0, iat=5607,5729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 365 LYS HA 368 LEU HG 4.430 &rst ixpk= 0, nxpk= 0, iat=5659,5729, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 353 PHE QE 357 LEU HG 4.980 &rst ixpk= 0, nxpk= 0, iat= -1,5535, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1=5469,5473, / # # 277 GLU HA 280 LYS QG 4.500 &rst ixpk= 0, nxpk= 0, iat=4185, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=4246,4247, / # # 301 THR HB 337 ARG HG3 5.100 &rst ixpk= 0, nxpk= 0, iat=4595,5188, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 301 THR HB 337 ARG HG2 5.100 &rst ixpk= 0, nxpk= 0, iat=4595,5187, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 301 THR QG2 337 ARG HG2 3.540 &rst ixpk= 0, nxpk= 0, iat= -1,5187, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1=4597,4598,4599, / # # 332 LEU HG 353 PHE QE 5.040 &rst ixpk= 0, nxpk= 0, iat=5101, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=5469,5473, / # # 353 PHE QD 357 LEU HG 5.150 &rst ixpk= 0, nxpk= 0, iat= -1,5535, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=5467,5475, / # # 263 LEU HG 264 ARG HA 3.820 &rst ixpk= 0, nxpk= 0, iat=3947,3961, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, / # # 263 LEU HG 264 ARG HD3 5.500 &rst ixpk= 0, nxpk= 0, iat=3947,3970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 322 LYS HA 368 LEU QD2 4.100 &rst ixpk= 0, nxpk= 0, iat=4941, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=5735,5736,5737, / # # 368 LEU HB2 368 LEU QD2 3.360 &rst ixpk= 0, nxpk= 0, iat=5726, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=5735,5736,5737, / # # 274 LYS QB 274 LYS QG 2.970 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr1=4135,4136, igr2=4138,4139, / # # 368 LEU HB3 368 LEU QD2 3.350 &rst ixpk= 0, nxpk= 0, iat=5727, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=5735,5736,5737, / # # 267 LEU QD1 326 THR HB 4.340 &rst ixpk= 0, nxpk= 0, iat= -1,5005, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=4029,4030,4031, / # # 267 LEU HB2 267 LEU QD1 3.440 &rst ixpk= 0, nxpk= 0, iat=4024, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=4029,4030,4031, / # # 267 LEU HB3 267 LEU QD1 3.350 &rst ixpk= 0, nxpk= 0, iat=4025, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=4029,4030,4031, / # # 263 LEU HG 267 LEU QD1 3.230 &rst ixpk= 0, nxpk= 0, iat=3947, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=4029,4030,4031, / # # 267 LEU QD1 331 ILE QD1 4.120 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=4029,4030,4031, igr2=5088,5089,5090, / # # 356 THR QG2 359 LYS HG2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5565, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5520,5521,5522, / # # 359 LYS HG2 359 LYS QE 3.880 &rst ixpk= 0, nxpk= 0, iat=5565, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=5571,5572, / # # 265 LYS HA 265 LYS HG2 3.880 &rst ixpk= 0, nxpk= 0, iat=3985,3990, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 328 PRO HB2 357 LEU QD1 4.260 &rst ixpk= 0, nxpk= 0, iat=5034, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=5537,5538,5539, / # # 269 LYS HG2 270 ARG HA 5.070 &rst ixpk= 0, nxpk= 0, iat=4062,4079, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 269 LYS HA 269 LYS HG3 3.800 &rst ixpk= 0, nxpk= 0, iat=4057,4063, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 357 LEU HA 357 LEU QD1 3.960 &rst ixpk= 0, nxpk= 0, iat=5530, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=5537,5538,5539, / # # 285 THR HA 286 LYS HG3 5.120 &rst ixpk= 0, nxpk= 0, iat=4322,4342, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 285 THR HB 286 LYS HG3 5.500 &rst ixpk= 0, nxpk= 0, iat=4324,4342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 283 ILE HA 286 LYS HG3 4.940 &rst ixpk= 0, nxpk= 0, iat=4293,4342, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 286 LYS HG3 286 LYS QE 3.570 &rst ixpk= 0, nxpk= 0, iat=4342, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=4347,4348, / # # 332 LEU QD1 342 LYS HA 4.460 &rst ixpk= 0, nxpk= 0, iat= -1,5261, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1=5103,5104,5105, / # # 363 VAL HA 366 LYS HG2 5.250 &rst ixpk= 0, nxpk= 0, iat=5627,5686, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 291 LEU QD2 295 ILE HG13 3.860 &rst ixpk= 0, nxpk= 0, iat= -1,4503, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1=4430,4431,4432, / # # 291 LEU QB 291 LEU QD2 3.320 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=4421,4422, igr2=4430,4431,4432, / # # 291 LEU QD2 295 ILE HG12 3.320 &rst ixpk= 0, nxpk= 0, iat= -1,4502, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=4430,4431,4432, / # # 275 PRO HD2 278 LYS HG2 4.060 &rst ixpk= 0, nxpk= 0, iat=4154,4205, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 275 PRO HG2 278 LYS HG2 3.720 &rst ixpk= 0, nxpk= 0, iat=4157,4205, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 278 LYS HB2 278 LYS HG2 2.980 &rst ixpk= 0, nxpk= 0, iat=4202,4205, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, / # # 274 LYS HA 278 LYS HG2 5.430 &rst ixpk= 0, nxpk= 0, iat=4133,4205, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 275 PRO HD3 278 LYS HG2 4.400 &rst ixpk= 0, nxpk= 0, iat=4155,4205, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 278 LYS HG2 278 LYS QE 3.540 &rst ixpk= 0, nxpk= 0, iat=4205, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr2=4211,4212, / # # 362 SER HA 365 LYS HG2 4.460 &rst ixpk= 0, nxpk= 0, iat=5616,5664, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 361 TRP HA 364 VAL QG2 4.200 &rst ixpk= 0, nxpk= 0, iat=5592, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=5651,5652,5653, / # # 364 VAL HA 364 VAL QG2 3.660 &rst ixpk= 0, nxpk= 0, iat=5643, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=5651,5652,5653, / # # 267 LEU QD2 364 VAL QG2 5.350 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1=4033,4034,4035, igr2=5651,5652,5653, / # # 331 ILE HA 334 LEU QD2 4.720 &rst ixpk= 0, nxpk= 0, iat=5077, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=5141,5142,5143, / # # 333 GLU HB2 334 LEU QD2 4.220 &rst ixpk= 0, nxpk= 0, iat=5117, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=5141,5142,5143, / # # 365 LYS HA 365 LYS HG3 4.030 &rst ixpk= 0, nxpk= 0, iat=5659,5665, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 365 LYS HA 365 LYS HG2 4.030 &rst ixpk= 0, nxpk= 0, iat=5659,5664, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 318 LEU HA 318 LEU QD1 3.930 &rst ixpk= 0, nxpk= 0, iat=4865, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=4872,4873,4874, / # # 318 LEU QD1 322 LYS HE3 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4953, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4872,4873,4874, / # # 318 LEU QD1 363 VAL HB 4.140 &rst ixpk= 0, nxpk= 0, iat= -1,5629, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=4872,4873,4874, / # # 332 LEU QD2 341 ALA QB 3.580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=5107,5108,5109, igr2=5253,5254,5255, / # # 318 LEU QD2 319 TYR H 4.890 &rst ixpk= 0, nxpk= 0, iat= -1,4882, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=4876,4877,4878, / # # 314 TRP HH2 318 LEU QD2 4.500 &rst ixpk= 0, nxpk= 0, iat=4802, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=4876,4877,4878, / # # 318 LEU QD2 363 VAL HB 4.140 &rst ixpk= 0, nxpk= 0, iat= -1,5629, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr1=4876,4877,4878, / # # 318 LEU HB2 318 LEU QD2 3.510 &rst ixpk= 0, nxpk= 0, iat=4867, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2=4876,4877,4878, / # # 318 LEU QD2 363 VAL QG2 3.740 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=4876,4877,4878, igr2=5635,5636,5637, / # # 318 LEU QD2 360 ALA QB 4.070 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=4876,4877,4878, igr2=5584,5585,5586, / # # 313 ASP HA 316 VAL QG2 4.270 &rst ixpk= 0, nxpk= 0, iat=4777, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=4838,4839,4840, / # # 357 LEU HB3 357 LEU QD2 3.370 &rst ixpk= 0, nxpk= 0, iat=5533, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=5541,5542,5543, / # # 267 LEU QD2 357 LEU QD2 5.070 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1=4033,4034,4035, igr2=5541,5542,5543, / # # 268 VAL HA 268 VAL QG2 3.240 &rst ixpk= 0, nxpk= 0, iat=4041, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=4049,4050,4051, / # # 268 VAL QG2 271 ASP QB 5.020 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1=4049,4050,4051, igr2=4105,4106, / # # 263 LEU QQD 361 TRP HA 5.200 &rst ixpk= 0, nxpk= 0, iat=3946,5592, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, / # # 263 LEU QQD 361 TRP HB3 3.600 &rst ixpk= 0, nxpk= 0, iat=3946,5595, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, / # # 263 LEU QQD 266 GLU QB 3.300 &rst ixpk= 0, nxpk= 0, iat=3946, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=4009,4010, / # # 263 LEU HB3 263 LEU QQD 3.250 &rst ixpk= 0, nxpk= 0, iat=3945,3946, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 263 LEU HB2 263 LEU QQD 2.990 &rst ixpk= 0, nxpk= 0, iat=3944,3946, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 263 LEU QQD 264 ARG HG3 4.830 &rst ixpk= 0, nxpk= 0, iat=3946,3967, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, / # # 263 LEU QQD 267 LEU HG 2.720 &rst ixpk= 0, nxpk= 0, iat=3946,4027, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 344 ASN HA 349 THR QG2 4.600 &rst ixpk= 0, nxpk= 0, iat=5298, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2=5391,5392,5393, / # # 349 THR HA 349 THR QG2 2.640 &rst ixpk= 0, nxpk= 0, iat=5387, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, igr2=5391,5392,5393, / # # 344 ASN HB2 349 THR QG2 3.030 &rst ixpk= 0, nxpk= 0, iat=5300, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=5391,5392,5393, / # # 276 VAL QG1 333 GLU HG3 3.500 &rst ixpk= 0, nxpk= 0, iat= -1,5121, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=4173,4174,4175, / # # 276 VAL QG1 333 GLU HG2 4.200 &rst ixpk= 0, nxpk= 0, iat= -1,5120, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=4173,4174,4175, / # # 276 VAL QG1 333 GLU HB3 3.220 &rst ixpk= 0, nxpk= 0, iat= -1,5118, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=4173,4174,4175, / # # 368 LEU HA 368 LEU QD1 4.040 &rst ixpk= 0, nxpk= 0, iat=5724, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=5731,5732,5733, / # # 267 LEU HA 326 THR QG2 3.980 &rst ixpk= 0, nxpk= 0, iat=4022, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=5007,5008,5009, / # # 368 LEU HB3 368 LEU QD1 3.350 &rst ixpk= 0, nxpk= 0, iat=5727, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=5731,5732,5733, / # # 267 LEU QD2 326 THR QG2 3.260 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=4033,4034,4035, igr2=5007,5008,5009, / # # 363 VAL QG2 366 LYS QE 4.800 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=5635,5636,5637, igr2=5692,5693, / # # 318 LEU QD1 363 VAL QG2 3.740 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=4872,4873,4874, igr2=5635,5636,5637, / # # 354 VAL QG2 355 ILE HA 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5497, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5489,5490,5491, / # # 351 LYS HA 354 VAL QG2 4.740 &rst ixpk= 0, nxpk= 0, iat=5418, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=5489,5490,5491, / # # 354 VAL HA 354 VAL QG2 3.290 &rst ixpk= 0, nxpk= 0, iat=5481, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=5489,5490,5491, / # # 300 LYS HA 301 THR QG2 3.620 &rst ixpk= 0, nxpk= 0, iat=4571, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr2=4597,4598,4599, / # # 301 THR HA 301 THR QG2 2.780 &rst ixpk= 0, nxpk= 0, iat=4593, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=4597,4598,4599, / # # 301 THR QG2 338 ASP HB2 4.860 &rst ixpk= 0, nxpk= 0, iat= -1,5208, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4597,4598,4599, / # # 301 THR QG2 336 PRO HB2 3.650 &rst ixpk= 0, nxpk= 0, iat= -1,5173, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=4597,4598,4599, / # # 301 THR QG2 337 ARG HB2 4.610 &rst ixpk= 0, nxpk= 0, iat= -1,5184, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=4597,4598,4599, / # # 305 VAL QG2 307 ILE QG2 3.860 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=4658,4659,4660, igr2=4684,4685,4686, / # # 285 THR QG2 286 LYS QE 4.890 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1=4326,4327,4328, igr2=4347,4348, / # # 281 GLU QG 285 THR QG2 3.430 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=4268,4269, igr2=4326,4327,4328, / # # 285 THR QG2 286 LYS HB2 4.070 &rst ixpk= 0, nxpk= 0, iat= -1,4338, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=4326,4327,4328, / # # 285 THR QG2 286 LYS QD 3.730 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=4326,4327,4328, igr2=4344,4345, / # # 285 THR QG2 286 LYS HA 4.310 &rst ixpk= 0, nxpk= 0, iat= -1,4336, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=4326,4327,4328, / # # 282 GLU HB2 285 THR QG2 4.650 &rst ixpk= 0, nxpk= 0, iat=4280, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=4326,4327,4328, / # # 283 ILE QG2 285 THR QG2 5.400 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29, igr1=4297,4298,4299, igr2=4326,4327,4328, / # # 353 PHE HA 356 THR QG2 4.820 &rst ixpk= 0, nxpk= 0, iat=5461, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=5520,5521,5522, / # # 314 TRP HA 356 THR QG2 3.690 &rst ixpk= 0, nxpk= 0, iat=4789, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=5520,5521,5522, / # # 321 MET QE 356 THR QG2 5.110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr1=4933,4934,4935, igr2=5520,5521,5522, / # # 356 THR QG2 359 LYS QB 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=5520,5521,5522, igr2=5562,5563, / # # 276 VAL QG2 333 GLU HG2 3.800 &rst ixpk= 0, nxpk= 0, iat= -1,5120, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=4177,4178,4179, / # # 276 VAL QG2 333 GLU HB3 3.220 &rst ixpk= 0, nxpk= 0, iat= -1,5118, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=4177,4178,4179, / # # 363 VAL HA 363 VAL QG1 2.840 &rst ixpk= 0, nxpk= 0, iat=5627, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=5631,5632,5633, / # # 318 LEU QD2 363 VAL QG1 3.740 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=4876,4877,4878, igr2=5631,5632,5633, / # # 276 VAL QG2 278 LYS H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4177,4178,4179, / # # 268 VAL HA 268 VAL QG1 3.240 &rst ixpk= 0, nxpk= 0, iat=4041, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=4045,4046,4047, / # # 325 VAL HA 325 VAL QG2 3.280 &rst ixpk= 0, nxpk= 0, iat=4987, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2=4995,4996,4997, / # # 354 VAL HA 354 VAL QG1 3.290 &rst ixpk= 0, nxpk= 0, iat=5481, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=5485,5486,5487, / # # 267 LEU QD2 361 TRP HZ2 4.860 &rst ixpk= 0, nxpk= 0, iat= -1,5603, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4033,4034,4035, / # # 267 LEU QD2 361 TRP HA 4.460 &rst ixpk= 0, nxpk= 0, iat= -1,5592, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1=4033,4034,4035, / # # 267 LEU QD2 326 THR HB 3.170 &rst ixpk= 0, nxpk= 0, iat= -1,5005, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr1=4033,4034,4035, / # # 267 LEU HA 267 LEU QD2 3.000 &rst ixpk= 0, nxpk= 0, iat=4022, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2=4033,4034,4035, / # # 267 LEU QD2 361 TRP HB2 3.250 &rst ixpk= 0, nxpk= 0, iat= -1,5594, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr1=4033,4034,4035, / # # 267 LEU HB2 267 LEU QD2 3.330 &rst ixpk= 0, nxpk= 0, iat=4024, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=4033,4034,4035, / # # 267 LEU HB3 267 LEU QD2 3.390 &rst ixpk= 0, nxpk= 0, iat=4025, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=4033,4034,4035, / # # 263 LEU QQD 267 LEU QD2 3.020 &rst ixpk= 0, nxpk= 0, iat=3946, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2=4033,4034,4035, / # # 367 TYR QD 370 ALA QB 4.810 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1=5709,5718, igr2=5760,5761,5762, / # # 369 GLU HA 370 ALA QB 5.050 &rst ixpk= 0, nxpk= 0, iat=5743, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2=5760,5761,5762, / # # 341 ALA QB 349 THR HA 4.580 &rst ixpk= 0, nxpk= 0, iat= -1,5387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=5253,5254,5255, / # # 341 ALA QB 342 LYS HE3 4.870 &rst ixpk= 0, nxpk= 0, iat= -1,5273, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=5253,5254,5255, / # # 341 ALA QB 342 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5272, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5253,5254,5255, / # # 341 ALA QB 349 THR QG2 3.710 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=5253,5254,5255, igr2=5391,5392,5393, / # # 332 LEU QD1 341 ALA QB 3.580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=5103,5104,5105, igr2=5253,5254,5255, / # # 331 ILE QG2 357 LEU QD1 4.820 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1=5081,5082,5083, igr2=5537,5538,5539, / # # 279 ILE QG2 280 LYS HE2 5.040 &rst ixpk= 0, nxpk= 0, iat= -1,4252, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=4226,4227,4228, / # # 279 ILE QG2 283 ILE HA 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4293, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4226,4227,4228, / # # 279 ILE QG2 323 HID HB2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4226,4227,4228, / # # 279 ILE QG2 296 ILE HB 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4515, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4226,4227,4228, / # # 279 ILE QG2 283 ILE HB 4.050 &rst ixpk= 0, nxpk= 0, iat= -1,4295, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=4226,4227,4228, / # # 279 ILE QG2 283 ILE HG12 4.330 &rst ixpk= 0, nxpk= 0, iat= -1,4301, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=4226,4227,4228, / # # 279 ILE QG2 280 LYS QG 4.260 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=4226,4227,4228, igr2=4246,4247, / # # 279 ILE QG2 283 ILE HG13 4.330 &rst ixpk= 0, nxpk= 0, iat= -1,4302, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=4226,4227,4228, / # # 301 THR QG2 303 ALA QB 4.240 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1=4597,4598,4599, igr2=4630,4631,4632, / # # 347 TRP HZ3 355 ILE QG2 3.970 &rst ixpk= 0, nxpk= 0, iat=5364, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=5501,5502,5503, / # # 355 ILE QG2 355 ILE QG1 2.940 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=5501,5502,5503, igr2=5505,5506, / # # 328 PRO HA 331 ILE QG2 4.170 &rst ixpk= 0, nxpk= 0, iat=5037, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=5081,5082,5083, / # # 317 ILE HG12 331 ILE QG2 2.620 &rst ixpk= 0, nxpk= 0, iat=4854, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, igr2=5081,5082,5083, / # # 331 ILE QG2 331 ILE HG12 3.370 &rst ixpk= 0, nxpk= 0, iat= -1,5085, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1=5081,5082,5083, / # # 360 ALA QB 361 TRP HA 4.280 &rst ixpk= 0, nxpk= 0, iat= -1,5592, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=5584,5585,5586, / # # 356 THR HA 360 ALA QB 3.900 &rst ixpk= 0, nxpk= 0, iat=5516, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=5584,5585,5586, / # # 321 MET QE 360 ALA QB 3.190 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=4933,4934,4935, igr2=5584,5585,5586, / # # 318 LEU HB2 360 ALA QB 5.240 &rst ixpk= 0, nxpk= 0, iat=4867, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=5584,5585,5586, / # # 356 THR QG2 360 ALA QB 3.310 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=5520,5521,5522, igr2=5584,5585,5586, / # # 267 LEU QD2 360 ALA QB 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=4033,4034,4035, igr2=5584,5585,5586, / # # 295 ILE QG2 302 TYR QD 4.180 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=4498,4499,4500, igr2=4613,4622, / # # 295 ILE QG2 316 VAL HB 4.800 &rst ixpk= 0, nxpk= 0, iat= -1,4832, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=4498,4499,4500, / # # 295 ILE QG2 296 ILE HB 4.980 &rst ixpk= 0, nxpk= 0, iat= -1,4515, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1=4498,4499,4500, / # # 295 ILE QG2 336 PRO HB3 3.800 &rst ixpk= 0, nxpk= 0, iat= -1,5174, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=4498,4499,4500, / # # 295 ILE QG2 296 ILE QG1 3.270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=4498,4499,4500, igr2=4521,4522, / # # 284 CYX QB 296 ILE QG2 5.290 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1=4314,4315, igr2=4517,4518,4519, / # # 314 TRP HZ3 317 ILE QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4804, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4850,4851,4852, / # # 317 ILE QG2 326 THR HA 5.100 &rst ixpk= 0, nxpk= 0, iat= -1,5003, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1=4850,4851,4852, / # # 317 ILE QG2 356 THR QG2 3.360 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=4850,4851,4852, igr2=5520,5521,5522, / # # 288 PRO HA 292 ILE QG2 4.130 &rst ixpk= 0, nxpk= 0, iat=4377, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=4442,4443,4444, / # # 283 ILE HA 292 ILE QG2 4.710 &rst ixpk= 0, nxpk= 0, iat=4293, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=4442,4443,4444, / # # 292 ILE QG2 316 VAL QG2 4.180 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1=4442,4443,4444, igr2=4838,4839,4840, / # # 292 ILE QG2 296 ILE QD1 3.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=4442,4443,4444, igr2=4524,4525,4526, / # # 296 ILE QG2 319 TYR QE 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=4517,4518,4519, igr2=4892,4897, / # # 296 ILE QG2 297 CYX HA 3.960 &rst ixpk= 0, nxpk= 0, iat= -1,4532, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=4517,4518,4519, / # # 283 ILE HA 296 ILE QG2 5.490 &rst ixpk= 0, nxpk= 0, iat=4293, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr2=4517,4518,4519, / # # 280 LYS HE2 296 ILE QG2 4.270 &rst ixpk= 0, nxpk= 0, iat=4252, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=4517,4518,4519, / # # 279 ILE HB 296 ILE QG2 5.370 &rst ixpk= 0, nxpk= 0, iat=4224, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=4517,4518,4519, / # # 295 ILE HB 296 ILE QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4496, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4517,4518,4519, / # # 283 ILE HB 296 ILE QG2 3.390 &rst ixpk= 0, nxpk= 0, iat=4295, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=4517,4518,4519, / # # 296 ILE QG2 334 LEU HG 5.200 &rst ixpk= 0, nxpk= 0, iat= -1,5135, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=4517,4518,4519, / # # 296 ILE QG2 296 ILE QG1 2.900 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1=4517,4518,4519, igr2=4521,4522, / # # 280 LYS QG 296 ILE QG2 3.200 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1=4246,4247, igr2=4517,4518,4519, / # # 283 ILE QG2 288 PRO HA 4.070 &rst ixpk= 0, nxpk= 0, iat= -1,4377, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=4297,4298,4299, / # # 283 ILE QG2 288 PRO HB2 3.410 &rst ixpk= 0, nxpk= 0, iat= -1,4374, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1=4297,4298,4299, / # # 283 ILE QG2 292 ILE HB 3.780 &rst ixpk= 0, nxpk= 0, iat= -1,4440, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1=4297,4298,4299, / # # 283 ILE QG2 288 PRO HB3 3.620 &rst ixpk= 0, nxpk= 0, iat= -1,4375, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1=4297,4298,4299, / # # 283 ILE QG2 296 ILE QG2 3.050 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=4297,4298,4299, igr2=4517,4518,4519, / # # 307 ILE HA 307 ILE QG2 3.460 &rst ixpk= 0, nxpk= 0, iat=4680, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=4684,4685,4686, / # # 295 ILE HG12 307 ILE QG2 4.990 &rst ixpk= 0, nxpk= 0, iat=4502, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4684,4685,4686, / # # 291 LEU QD2 307 ILE QG2 3.100 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=4430,4431,4432, igr2=4684,4685,4686, / # # 278 LYS QE 279 ILE QD1 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=4211,4212, igr2=4233,4234,4235, / # # 279 ILE HB 279 ILE QD1 3.000 &rst ixpk= 0, nxpk= 0, iat=4224, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2=4233,4234,4235, / # # 279 ILE QD1 330 LYS HB3 3.210 &rst ixpk= 0, nxpk= 0, iat= -1,5058, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1=4233,4234,4235, / # # 279 ILE QD1 330 LYS HA 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,5055, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4233,4234,4235, / # # 347 TRP HZ3 355 ILE QD1 4.100 &rst ixpk= 0, nxpk= 0, iat=5364, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=5508,5509,5510, / # # 355 ILE HA 355 ILE QD1 2.900 &rst ixpk= 0, nxpk= 0, iat=5497, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2=5508,5509,5510, / # # 354 VAL HB 355 ILE QD1 4.900 &rst ixpk= 0, nxpk= 0, iat=5483, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=5508,5509,5510, / # # 355 ILE QG2 355 ILE QD1 2.820 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=5501,5502,5503, igr2=5508,5509,5510, / # # 354 VAL QG1 355 ILE QD1 4.730 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1=5485,5486,5487, igr2=5508,5509,5510, / # # 354 VAL QG2 355 ILE QD1 4.730 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, igr1=5489,5490,5491, igr2=5508,5509,5510, / # # 317 ILE QD1 357 LEU QD1 4.590 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=4857,4858,4859, igr2=5537,5538,5539, / # # 283 ILE QD1 319 TYR QD 4.520 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=4304,4305,4306, igr2=4890,4899, / # # 283 ILE QD1 319 TYR QE 3.520 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=4304,4305,4306, igr2=4892,4897, / # # 283 ILE QD1 323 HID HB2 4.500 &rst ixpk= 0, nxpk= 0, iat= -1,4965, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=4304,4305,4306, / # # 302 TYR QD 307 ILE QD1 4.680 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1=4613,4622, igr2=4691,4692,4693, / # # 307 ILE QD1 312 GLY H 3.790 &rst ixpk= 0, nxpk= 0, iat= -1,4768, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1=4691,4692,4693, / # # 307 ILE HA 307 ILE QD1 3.790 &rst ixpk= 0, nxpk= 0, iat=4680, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=4691,4692,4693, / # # 291 LEU HA 307 ILE QD1 5.410 &rst ixpk= 0, nxpk= 0, iat=4419, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr2=4691,4692,4693, / # # 307 ILE QD1 311 ARG HA 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4746, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4691,4692,4693, / # # 291 LEU QD2 307 ILE QD1 3.090 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=4430,4431,4432, igr2=4691,4692,4693, / # # 307 ILE QG2 307 ILE QD1 2.870 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=4684,4685,4686, igr2=4691,4692,4693, / # # 326 THR HA 331 ILE QD1 3.700 &rst ixpk= 0, nxpk= 0, iat=5003, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=5088,5089,5090, / # # 321 MET HA 331 ILE QD1 5.170 &rst ixpk= 0, nxpk= 0, iat=4924, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=5088,5089,5090, / # # 326 THR HB 331 ILE QD1 5.500 &rst ixpk= 0, nxpk= 0, iat=5005, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5088,5089,5090, / # # 331 ILE HA 331 ILE QD1 3.860 &rst ixpk= 0, nxpk= 0, iat=5077, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=5088,5089,5090, / # # 317 ILE HG12 331 ILE QD1 2.720 &rst ixpk= 0, nxpk= 0, iat=4854, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=5088,5089,5090, / # # 331 ILE QD1 357 LEU QD1 3.840 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=5088,5089,5090, igr2=5537,5538,5539, / # # 280 LYS HA 296 ILE QD1 5.360 &rst ixpk= 0, nxpk= 0, iat=4241, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2=4524,4525,4526, / # # 296 ILE QD1 316 VAL HA 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4830, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4524,4525,4526, / # # 280 LYS HE2 296 ILE QD1 4.970 &rst ixpk= 0, nxpk= 0, iat=4252, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2=4524,4525,4526, / # # 296 ILE QD1 297 CYX H 4.530 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=4524,4525,4526, / # # 295 ILE HA 296 ILE QD1 4.750 &rst ixpk= 0, nxpk= 0, iat=4494, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=4524,4525,4526, / # # 295 ILE QD1 301 THR HB 5.210 &rst ixpk= 0, nxpk= 0, iat= -1,4595, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1=4505,4506,4507, / # # 295 ILE QD1 336 PRO HB3 4.340 &rst ixpk= 0, nxpk= 0, iat= -1,5174, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=4505,4506,4507, / # # 295 ILE QD1 300 LYS HB2 3.790 &rst ixpk= 0, nxpk= 0, iat= -1,4573, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1=4505,4506,4507, / # # 291 LEU QD2 295 ILE QD1 3.180 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1=4430,4431,4432, igr2=4505,4506,4507, / # # 295 ILE QD1 307 ILE QG2 3.350 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=4505,4506,4507, igr2=4684,4685,4686, / # # 292 ILE HB 292 ILE QD1 3.650 &rst ixpk= 0, nxpk= 0, iat=4440, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=4449,4450,4451, / # # 292 ILE QD1 296 ILE QG1 3.490 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=4449,4450,4451, igr2=4521,4522, / # # 292 ILE QD1 316 VAL QG1 2.940 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=4449,4450,4451, igr2=4834,4835,4836, / # # 292 ILE QD1 316 VAL HB 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4832, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4449,4450,4451, / # # 292 ILE QD1 320 LEU HG 5.240 &rst ixpk= 0, nxpk= 0, iat= -1,4910, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1=4449,4450,4451, / # # 283 ILE QD1 292 ILE QD1 4.560 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1=4304,4305,4306, igr2=4449,4450,4451, / # # 319 TYR QD 323 HID HE1 4.940 &rst ixpk= 0, nxpk= 0, iat= -1,4971, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=4890,4899, / # # 323 HID HB3 323 HID HE1 5.100 &rst ixpk= 0, nxpk= 0, iat=4966,4971, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 352 TYR HD2 353 PHE QD 4.170 &rst ixpk= 0, nxpk= 0, iat=5455, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=5467,5475, / # # 349 THR HA 352 TYR HD2 5.020 &rst ixpk= 0, nxpk= 0, iat=5387,5455, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 341 ALA QB 352 TYR HD2 3.210 &rst ixpk= 0, nxpk= 0, iat= -1,5455, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1=5253,5254,5255, / # # 367 TYR HA 367 TYR QD 2.790 &rst ixpk= 0, nxpk= 0, iat=5703, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, igr2=5709,5718, / # # 364 VAL HA 367 TYR QD 3.080 &rst ixpk= 0, nxpk= 0, iat=5643, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2=5709,5718, / # # 366 LYS QD 367 TYR QD 4.570 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=5689,5690, igr2=5709,5718, / # # 332 LEU QD1 353 PHE QD 3.850 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=5103,5104,5105, igr2=5467,5475, / # # 361 TRP HD1 362 SER HA 4.760 &rst ixpk= 0, nxpk= 0, iat=5598,5616, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 361 TRP HA 361 TRP HD1 4.980 &rst ixpk= 0, nxpk= 0, iat=5592,5598, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 361 TRP HB3 361 TRP HD1 3.000 &rst ixpk= 0, nxpk= 0, iat=5595,5598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 361 TRP HD1 365 LYS QD 3.580 &rst ixpk= 0, nxpk= 0, iat=5598, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=5667,5668, / # # 263 LEU QQD 361 TRP HD1 2.810 &rst ixpk= 0, nxpk= 0, iat=3946,5598, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 267 LEU QD1 361 TRP HD1 5.260 &rst ixpk= 0, nxpk= 0, iat= -1,5598, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1=4029,4030,4031, / # # 347 TRP HH2 352 TYR HA 4.500 &rst ixpk= 0, nxpk= 0, iat=5362,5440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 347 TRP HH2 355 ILE QG2 4.040 &rst ixpk= 0, nxpk= 0, iat=5362, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=5501,5502,5503, / # # 270 ARG HD3 361 TRP HH2 3.820 &rst ixpk= 0, nxpk= 0, iat=4088,5605, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, / # # 326 THR QG2 361 TRP HH2 3.390 &rst ixpk= 0, nxpk= 0, iat= -1,5605, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr1=5007,5008,5009, / # # 314 TRP HH2 359 LYS HA 4.530 &rst ixpk= 0, nxpk= 0, iat=4802,5560, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 270 ARG HD2 361 TRP HH2 3.820 &rst ixpk= 0, nxpk= 0, iat=4087,5605, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, / # # 361 TRP HH2 365 LYS HA 4.380 &rst ixpk= 0, nxpk= 0, iat=5605,5659, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 270 ARG HB2 361 TRP HH2 4.620 &rst ixpk= 0, nxpk= 0, iat=4081,5605, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, / # # 361 TRP HH2 365 LYS QB 4.660 &rst ixpk= 0, nxpk= 0, iat=5605, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=5661,5662, / # # 361 TRP HA 361 TRP HE3 3.040 &rst ixpk= 0, nxpk= 0, iat=5592,5609, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, / # # 361 TRP HE3 364 VAL HB 4.330 &rst ixpk= 0, nxpk= 0, iat=5609,5645, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 326 THR QG2 361 TRP HE3 3.460 &rst ixpk= 0, nxpk= 0, iat= -1,5609, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=5007,5008,5009, / # # 267 LEU QD2 361 TRP HE3 3.800 &rst ixpk= 0, nxpk= 0, iat= -1,5609, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=4033,4034,4035, / # # 326 THR HB 361 TRP HE3 5.500 &rst ixpk= 0, nxpk= 0, iat=5005,5609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 347 TRP HE3 352 TYR HA 3.550 &rst ixpk= 0, nxpk= 0, iat=5366,5440, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 347 TRP HB2 347 TRP HE3 4.070 &rst ixpk= 0, nxpk= 0, iat=5351,5366, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 347 TRP HB3 347 TRP HE3 3.600 &rst ixpk= 0, nxpk= 0, iat=5352,5366, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 320 LEU HA 323 HID HD2 4.080 &rst ixpk= 0, nxpk= 0, iat=4905,4974, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, / # # 323 HID HB3 323 HID HD2 3.600 &rst ixpk= 0, nxpk= 0, iat=4966,4974, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 323 HID HB2 323 HID HD2 3.320 &rst ixpk= 0, nxpk= 0, iat=4965,4974, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 286 LYS QD 323 HID HD2 5.090 &rst ixpk= 0, nxpk= 0, iat= -1,4974, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=4344,4345, / # # 361 TRP HA 361 TRP HZ3 4.420 &rst ixpk= 0, nxpk= 0, iat=5592,5607, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 321 MET HA 361 TRP HZ3 4.290 &rst ixpk= 0, nxpk= 0, iat=4924,5607, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 361 TRP HZ3 364 VAL HB 5.300 &rst ixpk= 0, nxpk= 0, iat=5607,5645, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 270 ARG QG 361 TRP HZ3 4.720 &rst ixpk= 0, nxpk= 0, iat= -1,5607, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=4084,4085, / # # 326 THR QG2 361 TRP HZ3 2.980 &rst ixpk= 0, nxpk= 0, iat= -1,5607, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr1=5007,5008,5009, / # # 314 TRP HZ3 356 THR HA 3.930 &rst ixpk= 0, nxpk= 0, iat=4804,5516, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 314 TRP HZ3 360 ALA HA 3.900 &rst ixpk= 0, nxpk= 0, iat=4804,5582, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 340 LYS HD2 352 TYR HE1 4.960 &rst ixpk= 0, nxpk= 0, iat=5237,5448, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 341 ALA HA 352 TYR HE2 4.380 &rst ixpk= 0, nxpk= 0, iat=5251,5453, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 352 TYR HB3 352 TYR HE2 4.950 &rst ixpk= 0, nxpk= 0, iat=5443,5453, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 352 TYR HE2 356 THR QG2 4.410 &rst ixpk= 0, nxpk= 0, iat=5453, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=5520,5521,5522, / # # 341 ALA QB 352 TYR HE2 3.220 &rst ixpk= 0, nxpk= 0, iat= -1,5453, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=5253,5254,5255, / # # 347 TRP HZ2 355 ILE QG1 4.540 &rst ixpk= 0, nxpk= 0, iat=5360, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=5505,5506, / # # 323 HID HA 324 GLY HA3 4.820 &rst ixpk= 0, nxpk= 0, iat=4963,4981, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 271 ASP QB 327 ASP HB3 4.520 &rst ixpk= 0, nxpk= 0, iat= -1,5020, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=4105,4106, / # # 267 LEU HB2 271 ASP QB 5.500 &rst ixpk= 0, nxpk= 0, iat=4024, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4105,4106, / # # 271 ASP QB 330 LYS HB2 5.700 &rst ixpk= 0, nxpk= 0, iat= -1,5057, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=4105,4106, / # # 268 VAL QG1 271 ASP QB 5.020 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1=4045,4046,4047, igr2=4105,4106, / # # 268 VAL HA 271 ASP QB 3.990 &rst ixpk= 0, nxpk= 0, iat=4041, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=4105,4106, / # # 271 ASP QB 327 ASP HB2 4.520 &rst ixpk= 0, nxpk= 0, iat= -1,5019, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1=4105,4106, / # # 302 TYR QD 309 ARG HD3 4.860 &rst ixpk= 0, nxpk= 0, iat= -1,4720, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=4613,4622, / # # 303 ALA HA 309 ARG HD3 5.200 &rst ixpk= 0, nxpk= 0, iat=4628,4720, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 302 TYR HB3 309 ARG HD3 3.900 &rst ixpk= 0, nxpk= 0, iat=4610,4720, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 337 ARG HA 342 LYS HE3 5.190 &rst ixpk= 0, nxpk= 0, iat=5182,5273, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 332 LEU HA 342 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat=5096,5273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 342 LYS H 342 LYS HE3 4.840 &rst ixpk= 0, nxpk= 0, iat=5259,5273, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 337 ARG HA 342 LYS HE2 4.930 &rst ixpk= 0, nxpk= 0, iat=5182,5272, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 332 LEU HA 342 LYS HE2 4.570 &rst ixpk= 0, nxpk= 0, iat=5096,5272, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 342 LYS HB2 342 LYS HE3 4.280 &rst ixpk= 0, nxpk= 0, iat=5263,5273, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, / # # 342 LYS HG3 342 LYS HE3 3.840 &rst ixpk= 0, nxpk= 0, iat=5267,5273, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 342 LYS HG2 342 LYS HE3 3.470 &rst ixpk= 0, nxpk= 0, iat=5266,5273, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 311 ARG HA 311 ARG HD3 5.470 &rst ixpk= 0, nxpk= 0, iat=4746,4755, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 337 ARG H 337 ARG QD 4.090 &rst ixpk= 0, nxpk= 0, iat=5180, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2=5190,5191, / # # 337 ARG QD 338 ASP H 4.680 &rst ixpk= 0, nxpk= 0, iat= -1,5204, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=5190,5191, / # # 337 ARG HB3 337 ARG QD 2.910 &rst ixpk= 0, nxpk= 0, iat=5185, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=5190,5191, / # # 337 ARG HB2 337 ARG QD 2.850 &rst ixpk= 0, nxpk= 0, iat=5184, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2=5190,5191, / # # 337 ARG HG3 337 ARG QD 2.720 &rst ixpk= 0, nxpk= 0, iat=5188, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, igr2=5190,5191, / # # 337 ARG HG2 337 ARG QD 2.720 &rst ixpk= 0, nxpk= 0, iat=5187, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, igr2=5190,5191, / # # 301 THR QG2 337 ARG QD 3.230 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1=4597,4598,4599, igr2=5190,5191, / # # 356 THR HB 357 LEU HB2 5.000 &rst ixpk= 0, nxpk= 0, iat=5518,5532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 354 VAL HA 357 LEU HB3 4.720 &rst ixpk= 0, nxpk= 0, iat=5481,5533, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 264 ARG H 264 ARG HD3 4.790 &rst ixpk= 0, nxpk= 0, iat=3959,3970, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 264 ARG HD2 328 PRO HD3 5.420 &rst ixpk= 0, nxpk= 0, iat=3969,5029, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 340 LYS HA 340 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat=5229,5240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 261 GLU HA 264 ARG HD2 5.500 &rst ixpk= 0, nxpk= 0, iat=3912,3969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 331 ILE HA 334 LEU HB2 4.420 &rst ixpk= 0, nxpk= 0, iat=5077,5132, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 334 LEU HB2 334 LEU QD1 3.210 &rst ixpk= 0, nxpk= 0, iat=5132, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=5137,5138,5139, / # # 334 LEU HB3 335 LEU H 4.630 &rst ixpk= 0, nxpk= 0, iat=5133,5147, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, / # # 331 ILE HA 334 LEU HB3 5.000 &rst ixpk= 0, nxpk= 0, iat=5077,5133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 296 ILE QD1 334 LEU HB3 2.960 &rst ixpk= 0, nxpk= 0, iat= -1,5133, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1=4524,4525,4526, / # # 346 LYS HB3 346 LYS QE 4.760 &rst ixpk= 0, nxpk= 0, iat=5330, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=5338,5339, / # # 346 LYS HG2 346 LYS QE 4.010 &rst ixpk= 0, nxpk= 0, iat=5332, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=5338,5339, / # # 346 LYS HG3 346 LYS QE 4.010 &rst ixpk= 0, nxpk= 0, iat=5333, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2=5338,5339, / # # 300 LYS QD 300 LYS HE3 2.800 &rst ixpk= 0, nxpk= 0, iat= -1,4583, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=4579,4580, / # # 327 ASP HB3 330 LYS H 4.960 &rst ixpk= 0, nxpk= 0, iat=5020,5053, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 327 ASP HB3 330 LYS HB2 4.530 &rst ixpk= 0, nxpk= 0, iat=5020,5057, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 327 ASP HB2 330 LYS HB2 4.530 &rst ixpk= 0, nxpk= 0, iat=5019,5057, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 367 TYR H 368 LEU HB2 5.460 &rst ixpk= 0, nxpk= 0, iat=5701,5726, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, / # # 368 LEU HB2 370 ALA H 5.500 &rst ixpk= 0, nxpk= 0, iat=5726,5756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 365 LYS HA 368 LEU HB2 3.870 &rst ixpk= 0, nxpk= 0, iat=5659,5726, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 368 LEU HB3 369 GLU HG2 5.500 &rst ixpk= 0, nxpk= 0, iat=5727,5748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 368 LEU H 368 LEU HB3 3.570 &rst ixpk= 0, nxpk= 0, iat=5722,5727, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 307 ILE HB 308 ASP H 4.440 &rst ixpk= 0, nxpk= 0, iat=4682,4697, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 307 ILE HB 307 ILE QD1 3.610 &rst ixpk= 0, nxpk= 0, iat=4682, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=4691,4692,4693, / # # 306 ASN H 307 ILE HB 5.080 &rst ixpk= 0, nxpk= 0, iat=4664,4682, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, / # # 273 GLY H 274 LYS QE 5.380 &rst ixpk= 0, nxpk= 0, iat=4124, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=4144,4145, / # # 276 VAL H 330 LYS HE2 4.820 &rst ixpk= 0, nxpk= 0, iat=4167,5066, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 330 LYS H 330 LYS HE2 4.510 &rst ixpk= 0, nxpk= 0, iat=5053,5066, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 329 ASP HB2 330 LYS HE3 3.140 &rst ixpk= 0, nxpk= 0, iat=5045,5067, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, / # # 330 LYS HA 330 LYS HE3 3.880 &rst ixpk= 0, nxpk= 0, iat=5055,5067, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 329 ASP HB3 330 LYS HE3 3.140 &rst ixpk= 0, nxpk= 0, iat=5046,5067, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, / # # 278 LYS QE 281 GLU QG 3.530 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr1=4211,4212, igr2=4268,4269, / # # 278 LYS QD 278 LYS QE 2.410 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, igr1=4208,4209, igr2=4211,4212, / # # 278 LYS QE 282 GLU H 4.890 &rst ixpk= 0, nxpk= 0, iat= -1,4276, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=4211,4212, / # # 280 LYS H 280 LYS HE3 4.350 &rst ixpk= 0, nxpk= 0, iat=4239,4253, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 280 LYS QG 280 LYS HE3 3.450 &rst ixpk= 0, nxpk= 0, iat= -1,4253, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=4246,4247, / # # 274 LYS QG 274 LYS QE 3.010 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr1=4138,4139, igr2=4144,4145, / # # 269 LYS HG3 269 LYS QE 2.510 &rst ixpk= 0, nxpk= 0, iat=4063, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, igr2=4068,4069, / # # 280 LYS HE2 334 LEU HA 4.170 &rst ixpk= 0, nxpk= 0, iat=4252,5130, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 266 GLU HA 269 LYS QE 3.560 &rst ixpk= 0, nxpk= 0, iat=4007, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2=4068,4069, / # # 269 LYS HG2 269 LYS QE 2.850 &rst ixpk= 0, nxpk= 0, iat=4062, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2=4068,4069, / # # 265 LYS H 265 LYS QE 4.810 &rst ixpk= 0, nxpk= 0, iat=3983, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=3996,3997, / # # 269 LYS QE 270 ARG H 5.190 &rst ixpk= 0, nxpk= 0, iat= -1,4077, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=4068,4069, / # # 266 GLU QB 269 LYS QE 3.630 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr1=4009,4010, igr2=4068,4069, / # # 265 LYS QD 265 LYS QE 2.620 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, igr1=3993,3994, igr2=3996,3997, / # # 280 LYS H 280 LYS HE2 4.700 &rst ixpk= 0, nxpk= 0, iat=4239,4252, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 366 LYS QE 367 TYR H 5.170 &rst ixpk= 0, nxpk= 0, iat= -1,5701, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=5692,5693, / # # 363 VAL QG1 366 LYS QE 4.800 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr1=5631,5632,5633, igr2=5692,5693, / # # 366 LYS H 366 LYS QE 4.400 &rst ixpk= 0, nxpk= 0, iat=5679, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=5692,5693, / # # 363 VAL HA 366 LYS QE 4.180 &rst ixpk= 0, nxpk= 0, iat=5627, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=5692,5693, / # # 332 LEU QB 342 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=5098,5099, / # # 317 ILE H 318 LEU HB2 5.500 &rst ixpk= 0, nxpk= 0, iat=4844,4867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 318 LEU HB2 320 LEU H 5.500 &rst ixpk= 0, nxpk= 0, iat=4867,4903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 318 LEU HB2 319 TYR QB 4.970 &rst ixpk= 0, nxpk= 0, iat=4867, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=4886,4887, / # # 315 HIET HA 318 LEU HB2 3.980 &rst ixpk= 0, nxpk= 0, iat=4813,4867, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 317 ILE HB 318 LEU HB2 5.070 &rst ixpk= 0, nxpk= 0, iat=4848,4867, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 318 LEU HB3 319 TYR H 4.220 &rst ixpk= 0, nxpk= 0, iat=4868,4882, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 315 HIET HA 318 LEU HB3 4.850 &rst ixpk= 0, nxpk= 0, iat=4813,4868, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 318 LEU HB3 318 LEU QD2 3.590 &rst ixpk= 0, nxpk= 0, iat=4868, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=4876,4877,4878, / # # 304 ASP HB3 305 VAL H 4.250 &rst ixpk= 0, nxpk= 0, iat=4641,4648, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 300 LYS HA 304 ASP HB3 5.090 &rst ixpk= 0, nxpk= 0, iat=4571,4641, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, / # # 300 LYS HB2 304 ASP HB3 4.380 &rst ixpk= 0, nxpk= 0, iat=4573,4641, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 278 LYS H 278 LYS QE 4.970 &rst ixpk= 0, nxpk= 0, iat=4198, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=4211,4212, / # # 365 LYS HG3 365 LYS HE3 4.220 &rst ixpk= 0, nxpk= 0, iat=5665,5671, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 365 LYS HG2 365 LYS HE3 4.220 &rst ixpk= 0, nxpk= 0, iat=5664,5671, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 361 TRP HE1 365 LYS HE3 4.760 &rst ixpk= 0, nxpk= 0, iat=5600,5671, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 361 TRP HE1 365 LYS HE2 4.760 &rst ixpk= 0, nxpk= 0, iat=5600,5670, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 365 LYS HG2 365 LYS HE2 4.220 &rst ixpk= 0, nxpk= 0, iat=5664,5670, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 304 ASP HB2 305 VAL H 4.250 &rst ixpk= 0, nxpk= 0, iat=4640,4648, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 300 LYS HB3 304 ASP HB2 4.120 &rst ixpk= 0, nxpk= 0, iat=4574,4640, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, / # # 300 LYS HB2 304 ASP HB2 4.380 &rst ixpk= 0, nxpk= 0, iat=4573,4640, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 365 LYS QB 365 LYS HE2 4.200 &rst ixpk= 0, nxpk= 0, iat= -1,5670, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=5661,5662, / # # 300 LYS HA 304 ASP HB2 5.090 &rst ixpk= 0, nxpk= 0, iat=4571,4640, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, / # # 300 LYS QD 304 ASP HB2 3.940 &rst ixpk= 0, nxpk= 0, iat= -1,4640, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=4579,4580, / # # 318 LEU QD1 322 LYS HE2 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4952, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4872,4873,4874, / # # 322 LYS H 322 LYS HE2 5.410 &rst ixpk= 0, nxpk= 0, iat=4939,4952, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 329 ASP H 332 LEU QB 5.500 &rst ixpk= 0, nxpk= 0, iat=5041, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5098,5099, / # # 331 ILE HA 332 LEU QB 5.500 &rst ixpk= 0, nxpk= 0, iat=5077, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5098,5099, / # # 332 LEU QB 353 PHE QE 4.270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=5098,5099, igr2=5469,5473, / # # 331 ILE HB 332 LEU QB 4.530 &rst ixpk= 0, nxpk= 0, iat=5079, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=5098,5099, / # # 329 ASP HA 332 LEU QB 3.640 &rst ixpk= 0, nxpk= 0, iat=5043, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2=5098,5099, / # # 331 ILE H 332 LEU QB 4.800 &rst ixpk= 0, nxpk= 0, iat=5075, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=5098,5099, / # # 332 LEU QB 333 GLU HA 4.590 &rst ixpk= 0, nxpk= 0, iat= -1,5115, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=5098,5099, / # # 322 LYS HE3 367 TYR QE 5.150 &rst ixpk= 0, nxpk= 0, iat=4953, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=5711,5716, / # # 322 LYS H 322 LYS HE3 5.410 &rst ixpk= 0, nxpk= 0, iat=4939,4953, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 318 LEU QD2 322 LYS HE3 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4953, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4876,4877,4878, / # # 319 TYR HA 322 LYS HE2 5.380 &rst ixpk= 0, nxpk= 0, iat=4884,4952, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 318 LEU QD2 322 LYS HE2 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4952, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4876,4877,4878, / # # 359 LYS QE 360 ALA H 5.200 &rst ixpk= 0, nxpk= 0, iat= -1,5580, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=5571,5572, / # # 359 LYS H 359 LYS QE 4.510 &rst ixpk= 0, nxpk= 0, iat=5558, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=5571,5572, / # # 359 LYS QB 359 LYS QE 3.310 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1=5562,5563, igr2=5571,5572, / # # 359 LYS HG3 359 LYS QE 3.670 &rst ixpk= 0, nxpk= 0, iat=5566, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=5571,5572, / # # 262 GLU QB 263 LEU HB3 5.100 &rst ixpk= 0, nxpk= 0, iat= -1,3945, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=3929,3930, / # # 348 ASN HB3 350 GLN QB 5.280 &rst ixpk= 0, nxpk= 0, iat=5376, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2=5403,5404, / # # 263 LEU HB2 264 ARG H 4.470 &rst ixpk= 0, nxpk= 0, iat=3944,3959, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 262 GLU QB 263 LEU HB2 4.720 &rst ixpk= 0, nxpk= 0, iat= -1,3944, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=3929,3930, / # # 284 CYX QB 297 CYX HA 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4314,4315, / # # 284 CYX H 284 CYX QB 3.440 &rst ixpk= 0, nxpk= 0, iat=4310, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=4314,4315, / # # 281 GLU HA 284 CYX QB 4.330 &rst ixpk= 0, nxpk= 0, iat=4263, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=4314,4315, / # # 348 ASN HB2 351 LYS H 4.440 &rst ixpk= 0, nxpk= 0, iat=5375,5416, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 348 ASN H 348 ASN HB2 3.740 &rst ixpk= 0, nxpk= 0, iat=5371,5375, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 348 ASN HB2 351 LYS HG2 4.380 &rst ixpk= 0, nxpk= 0, iat=5375,5423, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 348 ASN HB2 351 LYS HG3 4.170 &rst ixpk= 0, nxpk= 0, iat=5375,5424, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 348 ASN HB2 349 THR H 5.020 &rst ixpk= 0, nxpk= 0, iat=5375,5385, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 348 ASN HB2 351 LYS HB2 4.480 &rst ixpk= 0, nxpk= 0, iat=5375,5420, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 348 ASN HB3 351 LYS H 4.450 &rst ixpk= 0, nxpk= 0, iat=5376,5416, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 348 ASN H 348 ASN HB3 3.880 &rst ixpk= 0, nxpk= 0, iat=5371,5376, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 348 ASN HB3 351 LYS HB3 4.440 &rst ixpk= 0, nxpk= 0, iat=5376,5421, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 348 ASN HB3 351 LYS HB2 4.390 &rst ixpk= 0, nxpk= 0, iat=5376,5420, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 348 ASN HB3 351 LYS HA 5.070 &rst ixpk= 0, nxpk= 0, iat=5376,5418, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 348 ASN HB3 351 LYS HG2 4.340 &rst ixpk= 0, nxpk= 0, iat=5376,5423, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 348 ASN HB3 349 THR H 5.500 &rst ixpk= 0, nxpk= 0, iat=5376,5385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 344 ASN HB2 349 THR HA 4.800 &rst ixpk= 0, nxpk= 0, iat=5300,5387, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 344 ASN HB3 346 LYS H 5.500 &rst ixpk= 0, nxpk= 0, iat=5301,5325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 344 ASN HB3 349 THR H 5.090 &rst ixpk= 0, nxpk= 0, iat=5301,5385, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, / # # 320 LEU H 320 LEU HB2 4.070 &rst ixpk= 0, nxpk= 0, iat=4903,4907, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 317 ILE HA 320 LEU HB2 4.410 &rst ixpk= 0, nxpk= 0, iat=4846,4907, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 320 LEU HB2 321 MET HG3 5.250 &rst ixpk= 0, nxpk= 0, iat=4907,4930, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 332 LEU HA 335 LEU HB3 5.220 &rst ixpk= 0, nxpk= 0, iat=5096,5152, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 335 LEU HB3 336 PRO HD2 4.920 &rst ixpk= 0, nxpk= 0, iat=5152,5167, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 335 LEU HB3 336 PRO HD3 4.920 &rst ixpk= 0, nxpk= 0, iat=5152,5168, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 320 LEU HB3 321 MET H 4.430 &rst ixpk= 0, nxpk= 0, iat=4908,4922, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 317 ILE HA 320 LEU HB3 4.980 &rst ixpk= 0, nxpk= 0, iat=4846,4908, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 320 LEU HB3 325 VAL QG1 3.520 &rst ixpk= 0, nxpk= 0, iat=4908, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=4991,4992,4993, / # # 335 LEU HB2 336 PRO HD3 4.920 &rst ixpk= 0, nxpk= 0, iat=5151,5168, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 332 LEU HA 335 LEU HB2 5.220 &rst ixpk= 0, nxpk= 0, iat=5096,5151, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 335 LEU HB2 336 PRO HD2 4.920 &rst ixpk= 0, nxpk= 0, iat=5151,5167, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 329 ASP H 329 ASP HB2 3.690 &rst ixpk= 0, nxpk= 0, iat=5041,5045, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 329 ASP HB2 330 LYS H 4.190 &rst ixpk= 0, nxpk= 0, iat=5045,5053, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 352 TYR H 353 PHE HB2 5.390 &rst ixpk= 0, nxpk= 0, iat=5438,5463, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 350 GLN HA 353 PHE HB2 4.460 &rst ixpk= 0, nxpk= 0, iat=5401,5463, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 332 LEU QD1 353 PHE HB2 5.360 &rst ixpk= 0, nxpk= 0, iat= -1,5463, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1=5103,5104,5105, / # # 341 ALA QB 353 PHE HB3 4.550 &rst ixpk= 0, nxpk= 0, iat= -1,5464, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=5253,5254,5255, / # # 353 PHE H 353 PHE HB3 3.860 &rst ixpk= 0, nxpk= 0, iat=5459,5464, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 350 GLN HA 353 PHE HB3 4.090 &rst ixpk= 0, nxpk= 0, iat=5401,5464, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 308 ASP HB2 309 ARG H 4.470 &rst ixpk= 0, nxpk= 0, iat=4701,4709, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 308 ASP HB2 310 SER H 5.220 &rst ixpk= 0, nxpk= 0, iat=4701,4733, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 267 LEU HB3 326 THR QG2 5.390 &rst ixpk= 0, nxpk= 0, iat=4025, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=5007,5008,5009, / # # 267 LEU HB2 268 VAL H 4.670 &rst ixpk= 0, nxpk= 0, iat=4024,4039, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 267 LEU HB2 328 PRO HD3 4.790 &rst ixpk= 0, nxpk= 0, iat=4024,5029, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 264 ARG HA 267 LEU HB2 4.150 &rst ixpk= 0, nxpk= 0, iat=3961,4024, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 267 LEU HB2 326 THR HB 4.650 &rst ixpk= 0, nxpk= 0, iat=4024,5005, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 293 LYS HD2 297 CYX HB3 5.500 &rst ixpk= 0, nxpk= 0, iat=4465,4535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 293 LYS QB 297 CYX HB3 4.890 &rst ixpk= 0, nxpk= 0, iat= -1,4535, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=4459,4460, / # # 297 CYX HB3 298 GLU H 3.700 &rst ixpk= 0, nxpk= 0, iat=4535,4540, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, / # # 297 CYX HB3 298 GLU HA 5.120 &rst ixpk= 0, nxpk= 0, iat=4535,4542, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 293 LYS HA 297 CYX HB3 4.110 &rst ixpk= 0, nxpk= 0, iat=4457,4535, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, / # # 284 CYX QB 297 CYX HB3 5.420 &rst ixpk= 0, nxpk= 0, iat= -1,4535, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=4314,4315, / # # 297 CYX HB3 298 GLU HB2 5.290 &rst ixpk= 0, nxpk= 0, iat=4535,4544, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 297 CYX HB3 298 GLU HG3 4.680 &rst ixpk= 0, nxpk= 0, iat=4535,4548, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, / # # 293 LYS HD3 297 CYX HB3 5.500 &rst ixpk= 0, nxpk= 0, iat=4466,4535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 293 LYS HG3 297 CYX HB3 4.400 &rst ixpk= 0, nxpk= 0, iat=4463,4535, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 296 ILE QG2 297 CYX HB2 5.050 &rst ixpk= 0, nxpk= 0, iat= -1,4534, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=4517,4518,4519, / # # 297 CYX H 297 CYX HB2 3.540 &rst ixpk= 0, nxpk= 0, iat=4530,4534, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 296 ILE HB 297 CYX HB2 4.180 &rst ixpk= 0, nxpk= 0, iat=4515,4534, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 297 CYX HB2 298 GLU HG2 4.730 &rst ixpk= 0, nxpk= 0, iat=4534,4547, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 293 LYS QB 297 CYX HB2 4.850 &rst ixpk= 0, nxpk= 0, iat= -1,4534, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=4459,4460, / # # 296 ILE H 297 CYX HB2 5.150 &rst ixpk= 0, nxpk= 0, iat=4511,4534, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 296 ILE QG1 319 TYR QB 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=4521,4522, igr2=4886,4887, / # # 316 VAL QG2 319 TYR QB 4.690 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1=4838,4839,4840, igr2=4886,4887, / # # 316 VAL QG1 319 TYR QB 4.690 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1=4834,4835,4836, igr2=4886,4887, / # # 319 TYR QB 320 LEU QD1 5.100 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1=4886,4887, igr2=4912,4913,4914, / # # 318 LEU H 319 TYR QB 4.960 &rst ixpk= 0, nxpk= 0, iat=4863, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=4886,4887, / # # 338 ASP HB3 339 SER H 5.380 &rst ixpk= 0, nxpk= 0, iat=5209,5216, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 301 THR QG2 338 ASP HB3 4.860 &rst ixpk= 0, nxpk= 0, iat= -1,5209, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4597,4598,4599, / # # 283 ILE HB 285 THR H 5.450 &rst ixpk= 0, nxpk= 0, iat=4295,4320, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 280 LYS HA 283 ILE HB 3.730 &rst ixpk= 0, nxpk= 0, iat=4241,4295, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 283 ILE HB 292 ILE QG2 4.850 &rst ixpk= 0, nxpk= 0, iat=4295, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2=4442,4443,4444, / # # 283 ILE HB 284 CYX QB 4.670 &rst ixpk= 0, nxpk= 0, iat=4295, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=4314,4315, / # # 349 THR HA 352 TYR HB3 4.530 &rst ixpk= 0, nxpk= 0, iat=5387,5443, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 341 ALA HA 352 TYR HB3 5.020 &rst ixpk= 0, nxpk= 0, iat=5251,5443, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 352 TYR HB2 353 PHE H 4.750 &rst ixpk= 0, nxpk= 0, iat=5442,5459, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 347 TRP HB3 352 TYR HB2 3.680 &rst ixpk= 0, nxpk= 0, iat=5352,5442, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 349 THR HA 352 TYR HB2 5.240 &rst ixpk= 0, nxpk= 0, iat=5387,5442, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 279 ILE H 279 ILE HB 3.420 &rst ixpk= 0, nxpk= 0, iat=4220,4224, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, / # # 278 LYS H 279 ILE HB 4.850 &rst ixpk= 0, nxpk= 0, iat=4198,4224, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 277 GLU HA 279 ILE HB 5.470 &rst ixpk= 0, nxpk= 0, iat=4185,4224, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 276 VAL HA 279 ILE HB 3.370 &rst ixpk= 0, nxpk= 0, iat=4169,4224, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, / # # 277 GLU H 279 ILE HB 5.290 &rst ixpk= 0, nxpk= 0, iat=4183,4224, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 328 PRO HA 331 ILE HB 3.750 &rst ixpk= 0, nxpk= 0, iat=5037,5079, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, / # # 317 ILE HG12 331 ILE HB 4.830 &rst ixpk= 0, nxpk= 0, iat=4854,5079, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 367 TYR HB3 368 LEU H 3.990 &rst ixpk= 0, nxpk= 0, iat=5706,5722, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 352 TYR HB3 353 PHE HB2 4.480 &rst ixpk= 0, nxpk= 0, iat=5443,5463, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 352 TYR HB3 355 ILE QG1 5.700 &rst ixpk= 0, nxpk= 0, iat=5443, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=5505,5506, / # # 367 TYR HB3 368 LEU HG 5.500 &rst ixpk= 0, nxpk= 0, iat=5706,5729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 341 ALA HA 352 TYR HB2 5.500 &rst ixpk= 0, nxpk= 0, iat=5251,5442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 366 LYS H 367 TYR HB2 5.220 &rst ixpk= 0, nxpk= 0, iat=5679,5705, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 366 LYS QB 367 TYR HB2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5705, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=5683,5684, / # # 367 TYR HB2 368 LEU HB2 5.500 &rst ixpk= 0, nxpk= 0, iat=5705,5726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 367 TYR HB2 368 LEU H 3.810 &rst ixpk= 0, nxpk= 0, iat=5705,5722, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 364 VAL HA 367 TYR HB2 4.040 &rst ixpk= 0, nxpk= 0, iat=5643,5705, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 279 ILE HB 281 GLU H 5.500 &rst ixpk= 0, nxpk= 0, iat=4224,4261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 279 ILE HB 280 LYS QG 5.380 &rst ixpk= 0, nxpk= 0, iat=4224, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=4246,4247, / # # 355 ILE H 355 ILE HB 3.320 &rst ixpk= 0, nxpk= 0, iat=5495,5499, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 355 ILE HB 356 THR H 4.130 &rst ixpk= 0, nxpk= 0, iat=5499,5514, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, / # # 306 ASN HB3 307 ILE H 4.500 &rst ixpk= 0, nxpk= 0, iat=4669,4678, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 306 ASN HA 306 ASN HB3 3.020 &rst ixpk= 0, nxpk= 0, iat=4666,4669, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 306 ASN HB2 307 ILE H 4.690 &rst ixpk= 0, nxpk= 0, iat=4668,4678, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 295 ILE HB 296 ILE HA 4.870 &rst ixpk= 0, nxpk= 0, iat=4496,4513, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 295 ILE HB 296 ILE QG1 4.100 &rst ixpk= 0, nxpk= 0, iat=4496, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=4521,4522, / # # 291 LEU QD1 295 ILE HB 4.940 &rst ixpk= 0, nxpk= 0, iat= -1,4496, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1=4426,4427,4428, / # # 317 ILE H 317 ILE HB 3.500 &rst ixpk= 0, nxpk= 0, iat=4844,4848, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 316 VAL HB 317 ILE HB 5.000 &rst ixpk= 0, nxpk= 0, iat=4832,4848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 317 ILE HB 356 THR QG2 4.190 &rst ixpk= 0, nxpk= 0, iat=4848, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=5520,5521,5522, / # # 314 TRP HA 317 ILE HB 4.600 &rst ixpk= 0, nxpk= 0, iat=4789,4848, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 292 ILE HA 295 ILE HB 4.390 &rst ixpk= 0, nxpk= 0, iat=4438,4496, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 295 ILE HB 295 ILE QD1 3.920 &rst ixpk= 0, nxpk= 0, iat=4496, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2=4505,4506,4507, / # # 282 GLU HA 282 GLU HG3 3.770 &rst ixpk= 0, nxpk= 0, iat=4278,4284, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 279 ILE HA 282 GLU HG3 4.710 &rst ixpk= 0, nxpk= 0, iat=4222,4284, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 281 GLU H 282 GLU HG2 5.340 &rst ixpk= 0, nxpk= 0, iat=4261,4283, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 279 ILE HA 282 GLU HG2 4.710 &rst ixpk= 0, nxpk= 0, iat=4222,4283, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 333 GLU HG3 334 LEU H 5.030 &rst ixpk= 0, nxpk= 0, iat=5121,5128, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, / # # 281 GLU HA 281 GLU QG 3.640 &rst ixpk= 0, nxpk= 0, iat=4263, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2=4268,4269, / # # 330 LYS HA 333 GLU HG3 3.930 &rst ixpk= 0, nxpk= 0, iat=5055,5121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 281 GLU QG 285 THR HB 4.640 &rst ixpk= 0, nxpk= 0, iat= -1,4324, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=4268,4269, / # # 277 GLU H 277 GLU QG 3.130 &rst ixpk= 0, nxpk= 0, iat=4183, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=4190,4191, / # # 276 VAL H 277 GLU QG 5.100 &rst ixpk= 0, nxpk= 0, iat=4167, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2=4190,4191, / # # 277 GLU QG 278 LYS H 3.500 &rst ixpk= 0, nxpk= 0, iat= -1,4198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=4190,4191, / # # 275 PRO HA 277 GLU QG 4.520 &rst ixpk= 0, nxpk= 0, iat=4163, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=4190,4191, / # # 276 VAL HA 277 GLU QG 5.500 &rst ixpk= 0, nxpk= 0, iat=4169, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4190,4191, / # # 279 ILE HA 281 GLU QG 5.500 &rst ixpk= 0, nxpk= 0, iat=4222, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4268,4269, / # # 275 PRO HB2 277 GLU QG 2.700 &rst ixpk= 0, nxpk= 0, iat=4160, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, igr2=4190,4191, / # # 277 GLU QB 277 GLU QG 2.400 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, igr1=4187,4188, igr2=4190,4191, / # # 369 GLU HA 369 GLU HG3 3.800 &rst ixpk= 0, nxpk= 0, iat=5743,5749, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 332 LEU H 333 GLU HG2 5.410 &rst ixpk= 0, nxpk= 0, iat=5094,5120, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 333 GLU H 333 GLU HG2 3.700 &rst ixpk= 0, nxpk= 0, iat=5113,5120, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, / # # 332 LEU QB 333 GLU HG2 4.090 &rst ixpk= 0, nxpk= 0, iat= -1,5120, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1=5098,5099, / # # 329 ASP HA 333 GLU HG2 5.500 &rst ixpk= 0, nxpk= 0, iat=5043,5120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 296 ILE HB 297 CYX HA 5.470 &rst ixpk= 0, nxpk= 0, iat=4515,4532, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 368 LEU HB2 369 GLU HG2 4.300 &rst ixpk= 0, nxpk= 0, iat=5726,5748, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 261 GLU QG 262 GLU H 3.970 &rst ixpk= 0, nxpk= 0, iat= -1,3925, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=3917,3918, / # # 262 GLU H 262 GLU HG3 4.200 &rst ixpk= 0, nxpk= 0, iat=3925,3933, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, / # # 281 GLU QG 282 GLU H 4.030 &rst ixpk= 0, nxpk= 0, iat= -1,4276, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=4268,4269, / # # 261 GLU HB3 261 GLU QG 2.840 &rst ixpk= 0, nxpk= 0, iat=3915, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2=3917,3918, / # # 298 GLU HG2 299 ASN H 5.500 &rst ixpk= 0, nxpk= 0, iat=4547,4555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 298 GLU HA 298 GLU HG2 3.720 &rst ixpk= 0, nxpk= 0, iat=4542,4547, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 266 GLU HG2 269 LYS QE 5.250 &rst ixpk= 0, nxpk= 0, iat=4012, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=4068,4069, / # # 266 GLU HA 266 GLU HG2 3.940 &rst ixpk= 0, nxpk= 0, iat=4007,4012, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, / # # 298 GLU H 298 GLU HG3 4.100 &rst ixpk= 0, nxpk= 0, iat=4540,4548, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 294 GLU HA 298 GLU HG3 3.930 &rst ixpk= 0, nxpk= 0, iat=4479,4548, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 293 LYS QE 298 GLU HG3 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4468,4469, / # # 298 GLU HG3 299 ASN H 5.500 &rst ixpk= 0, nxpk= 0, iat=4548,4555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 298 GLU HG3 300 LYS QD 4.480 &rst ixpk= 0, nxpk= 0, iat=4548, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=4579,4580, / # # 345 GLU QG 346 LYS HG2 5.190 &rst ixpk= 0, nxpk= 0, iat= -1,5332, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=5317,5318, / # # 345 GLU QG 346 LYS HG3 5.190 &rst ixpk= 0, nxpk= 0, iat= -1,5333, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=5317,5318, / # # 266 GLU HG3 267 LEU QD2 5.380 &rst ixpk= 0, nxpk= 0, iat=4013, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr2=4033,4034,4035, / # # 343 GLU HA 343 GLU HG2 3.840 &rst ixpk= 0, nxpk= 0, iat=5283,5288, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 263 LEU HA 266 GLU HG2 4.570 &rst ixpk= 0, nxpk= 0, iat=3942,4012, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 266 GLU HG2 267 LEU QD2 5.380 &rst ixpk= 0, nxpk= 0, iat=4012, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr2=4033,4034,4035, / # # 302 TYR HB3 309 ARG HA 4.490 &rst ixpk= 0, nxpk= 0, iat=4610,4711, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 302 TYR HB3 309 ARG HG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4610,4716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 302 TYR HB3 303 ALA QB 4.880 &rst ixpk= 0, nxpk= 0, iat=4610, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=4630,4631,4632, / # # 302 TYR HB3 309 ARG HG3 5.500 &rst ixpk= 0, nxpk= 0, iat=4610,4717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 301 THR HB 302 TYR HB2 5.050 &rst ixpk= 0, nxpk= 0, iat=4595,4609, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 301 THR HA 302 TYR HB2 4.930 &rst ixpk= 0, nxpk= 0, iat=4593,4609, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 302 TYR HB2 309 ARG HA 4.810 &rst ixpk= 0, nxpk= 0, iat=4609,4711, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 302 TYR HB2 307 ILE QG2 3.940 &rst ixpk= 0, nxpk= 0, iat=4609, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=4684,4685,4686, / # # 289 PRO HD3 292 ILE HB 4.610 &rst ixpk= 0, nxpk= 0, iat=4383,4440, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 289 PRO HD2 292 ILE HB 4.500 &rst ixpk= 0, nxpk= 0, iat=4382,4440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 292 ILE HB 319 TYR QE 4.180 &rst ixpk= 0, nxpk= 0, iat=4440, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=4892,4897, / # # 318 LEU H 321 MET HG3 5.500 &rst ixpk= 0, nxpk= 0, iat=4863,4930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 321 MET HG3 326 THR HA 4.410 &rst ixpk= 0, nxpk= 0, iat=4930,5003, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 321 MET HA 321 MET HG3 3.890 &rst ixpk= 0, nxpk= 0, iat=4924,4930, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 321 MET HG3 326 THR QG2 3.700 &rst ixpk= 0, nxpk= 0, iat=4930, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2=5007,5008,5009, / # # 320 LEU H 321 MET HG3 5.470 &rst ixpk= 0, nxpk= 0, iat=4903,4930, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 321 MET HG2 326 THR HA 4.400 &rst ixpk= 0, nxpk= 0, iat=4929,5003, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 321 MET HA 321 MET HG2 4.140 &rst ixpk= 0, nxpk= 0, iat=4924,4929, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, / # # 321 MET HG2 326 THR HB 4.590 &rst ixpk= 0, nxpk= 0, iat=4929,5005, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 317 ILE QG2 321 MET HG2 4.310 &rst ixpk= 0, nxpk= 0, iat= -1,4929, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=4850,4851,4852, / # # 337 ARG HA 342 LYS HB2 5.090 &rst ixpk= 0, nxpk= 0, iat=5182,5263, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, / # # 337 ARG HA 342 LYS HB3 5.220 &rst ixpk= 0, nxpk= 0, iat=5182,5264, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 342 LYS HB3 342 LYS HE3 4.670 &rst ixpk= 0, nxpk= 0, iat=5264,5273, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 342 LYS HB3 342 LYS QD 4.060 &rst ixpk= 0, nxpk= 0, iat=5264, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=5269,5270, / # # 288 PRO HB3 292 ILE HB 4.560 &rst ixpk= 0, nxpk= 0, iat=4375,4440, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 292 ILE HB 293 LYS QB 4.870 &rst ixpk= 0, nxpk= 0, iat=4440, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=4459,4460, / # # 318 LEU HA 321 MET HB2 4.870 &rst ixpk= 0, nxpk= 0, iat=4865,4926, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 321 MET HB2 364 VAL QG1 4.640 &rst ixpk= 0, nxpk= 0, iat=4926, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=5647,5648,5649, / # # 318 LEU HA 321 MET HB3 4.870 &rst ixpk= 0, nxpk= 0, iat=4865,4927, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 336 PRO HB3 338 ASP H 4.200 &rst ixpk= 0, nxpk= 0, iat=5174,5204, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, / # # 302 TYR QD 336 PRO HB3 5.480 &rst ixpk= 0, nxpk= 0, iat= -1,5174, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=4613,4622, / # # 301 THR HB 336 PRO HB3 4.710 &rst ixpk= 0, nxpk= 0, iat=4595,5174, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 295 ILE HA 336 PRO HB3 5.380 &rst ixpk= 0, nxpk= 0, iat=4494,5174, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 301 THR HA 336 PRO HB2 3.930 &rst ixpk= 0, nxpk= 0, iat=4593,5173, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 295 ILE QD1 336 PRO HB2 4.760 &rst ixpk= 0, nxpk= 0, iat= -1,5173, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=4505,4506,4507, / # # 350 GLN QG 354 VAL H 4.780 &rst ixpk= 0, nxpk= 0, iat= -1,5479, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=5406,5407, / # # 350 GLN H 350 GLN QG 3.990 &rst ixpk= 0, nxpk= 0, iat=5399, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=5406,5407, / # # 350 GLN QG 353 PHE HB3 4.480 &rst ixpk= 0, nxpk= 0, iat= -1,5464, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=5406,5407, / # # 350 GLN QG 353 PHE QD 4.920 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1=5406,5407, igr2=5467,5475, / # # 295 ILE HA 300 LYS HB3 5.450 &rst ixpk= 0, nxpk= 0, iat=4494,4574, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 300 LYS HB3 301 THR HA 4.700 &rst ixpk= 0, nxpk= 0, iat=4574,4593, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 300 LYS HB3 304 ASP HB3 4.120 &rst ixpk= 0, nxpk= 0, iat=4574,4641, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, / # # 295 ILE QD1 300 LYS HB3 4.420 &rst ixpk= 0, nxpk= 0, iat= -1,4574, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1=4505,4506,4507, / # # 301 THR HA 336 PRO HB3 3.810 &rst ixpk= 0, nxpk= 0, iat=4593,5174, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 274 LYS QB 274 LYS QE 4.120 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=4135,4136, igr2=4144,4145, / # # 274 LYS QB 279 ILE H 4.630 &rst ixpk= 0, nxpk= 0, iat= -1,4220, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=4135,4136, / # # 274 LYS QB 275 PRO HD3 4.210 &rst ixpk= 0, nxpk= 0, iat= -1,4155, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=4135,4136, / # # 274 LYS QB 275 PRO HD2 4.140 &rst ixpk= 0, nxpk= 0, iat= -1,4154, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=4135,4136, / # # 300 LYS HB2 300 LYS HE2 5.500 &rst ixpk= 0, nxpk= 0, iat=4573,4582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 300 LYS HB2 300 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat=4573,4583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 329 ASP H 330 LYS HB2 5.000 &rst ixpk= 0, nxpk= 0, iat=5041,5057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 330 LYS HB2 331 ILE H 4.150 &rst ixpk= 0, nxpk= 0, iat=5057,5075, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 330 LYS HB2 331 ILE HA 5.240 &rst ixpk= 0, nxpk= 0, iat=5057,5077, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 330 LYS H 330 LYS HB3 3.980 &rst ixpk= 0, nxpk= 0, iat=5053,5058, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 330 LYS HB3 330 LYS HE2 4.660 &rst ixpk= 0, nxpk= 0, iat=5058,5066, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 328 PRO HB3 329 ASP H 4.420 &rst ixpk= 0, nxpk= 0, iat=5035,5041, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 328 PRO HB3 353 PHE QE 4.090 &rst ixpk= 0, nxpk= 0, iat=5035, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2=5469,5473, / # # 328 PRO HB2 353 PHE HZ 4.600 &rst ixpk= 0, nxpk= 0, iat=5034,5471, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 328 PRO HB2 353 PHE QE 4.420 &rst ixpk= 0, nxpk= 0, iat=5034, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2=5469,5473, / # # 328 PRO HB2 353 PHE QD 4.860 &rst ixpk= 0, nxpk= 0, iat=5034, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=5467,5475, / # # 328 PRO HB2 331 ILE QD1 5.120 &rst ixpk= 0, nxpk= 0, iat=5034, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=5088,5089,5090, / # # 265 LYS H 265 LYS HB2 3.320 &rst ixpk= 0, nxpk= 0, iat=3983,3987, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 262 GLU QB 265 LYS HB2 5.020 &rst ixpk= 0, nxpk= 0, iat= -1,3987, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1=3929,3930, / # # 265 LYS HB2 266 GLU QB 5.480 &rst ixpk= 0, nxpk= 0, iat=3987, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=4009,4010, / # # 265 LYS HB2 265 LYS QE 4.070 &rst ixpk= 0, nxpk= 0, iat=3987, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=3996,3997, / # # 280 LYS HB3 281 GLU H 3.740 &rst ixpk= 0, nxpk= 0, iat=4244,4261, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 262 GLU HA 265 LYS HB2 3.440 &rst ixpk= 0, nxpk= 0, iat=3927,3987, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, / # # 265 LYS H 265 LYS HB3 3.760 &rst ixpk= 0, nxpk= 0, iat=3983,3988, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, / # # 265 LYS HB3 265 LYS QD 2.760 &rst ixpk= 0, nxpk= 0, iat=3988, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, igr2=3993,3994, / # # 269 LYS HB2 270 ARG H 5.500 &rst ixpk= 0, nxpk= 0, iat=4059,4077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 293 LYS QB 297 CYX H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4459,4460, / # # 293 LYS QB 293 LYS QE 4.630 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=4459,4460, igr2=4468,4469, / # # 292 ILE QG2 293 LYS QB 5.020 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1=4442,4443,4444, igr2=4459,4460, / # # 275 PRO HB2 276 VAL H 3.390 &rst ixpk= 0, nxpk= 0, iat=4160,4167, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, / # # 275 PRO HB2 278 LYS H 3.870 &rst ixpk= 0, nxpk= 0, iat=4160,4198, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 275 PRO HB2 276 VAL QG1 5.500 &rst ixpk= 0, nxpk= 0, iat=4160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4173,4174,4175, / # # 275 PRO HB2 279 ILE QD1 4.930 &rst ixpk= 0, nxpk= 0, iat=4160, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=4233,4234,4235, / # # 275 PRO HB3 277 GLU H 4.620 &rst ixpk= 0, nxpk= 0, iat=4161,4183, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, / # # 275 PRO HB3 276 VAL H 3.750 &rst ixpk= 0, nxpk= 0, iat=4161,4167, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, / # # 268 VAL H 269 LYS HB3 4.820 &rst ixpk= 0, nxpk= 0, iat=4039,4060, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 269 LYS H 269 LYS HB3 2.760 &rst ixpk= 0, nxpk= 0, iat=4055,4060, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, / # # 269 LYS HA 269 LYS HB3 2.630 &rst ixpk= 0, nxpk= 0, iat=4057,4060, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, / # # 278 LYS HB3 279 ILE QD1 5.360 &rst ixpk= 0, nxpk= 0, iat=4203, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2=4233,4234,4235, / # # 280 LYS H 280 LYS HB3 3.650 &rst ixpk= 0, nxpk= 0, iat=4239,4244, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 322 LYS HB3 322 LYS HD3 3.980 &rst ixpk= 0, nxpk= 0, iat=4944,4950, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 321 MET H 322 LYS HB2 5.240 &rst ixpk= 0, nxpk= 0, iat=4922,4943, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 319 TYR HA 322 LYS HB2 4.400 &rst ixpk= 0, nxpk= 0, iat=4884,4943, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 277 GLU H 278 LYS HB2 4.800 &rst ixpk= 0, nxpk= 0, iat=4183,4202, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 274 LYS HA 278 LYS HB2 4.060 &rst ixpk= 0, nxpk= 0, iat=4133,4202, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 275 PRO HD3 278 LYS HB2 4.170 &rst ixpk= 0, nxpk= 0, iat=4155,4202, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 275 PRO HD2 278 LYS HB2 3.490 &rst ixpk= 0, nxpk= 0, iat=4154,4202, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 278 LYS HB2 278 LYS QD 3.910 &rst ixpk= 0, nxpk= 0, iat=4202, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2=4208,4209, / # # 274 LYS QB 278 LYS HB2 3.140 &rst ixpk= 0, nxpk= 0, iat= -1,4202, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr1=4135,4136, / # # 278 LYS HB3 279 ILE H 3.730 &rst ixpk= 0, nxpk= 0, iat=4203,4220, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 278 LYS H 278 LYS HB3 3.580 &rst ixpk= 0, nxpk= 0, iat=4198,4203, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, / # # 274 LYS HA 278 LYS HB3 4.560 &rst ixpk= 0, nxpk= 0, iat=4133,4203, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 275 PRO HD2 278 LYS HB3 3.470 &rst ixpk= 0, nxpk= 0, iat=4154,4203, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 278 LYS HB3 278 LYS QE 3.790 &rst ixpk= 0, nxpk= 0, iat=4203, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=4211,4212, / # # 366 LYS QB 368 LEU H 5.380 &rst ixpk= 0, nxpk= 0, iat= -1,5722, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=5683,5684, / # # 366 LYS QB 367 TYR HA 4.870 &rst ixpk= 0, nxpk= 0, iat= -1,5703, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=5683,5684, / # # 366 LYS HA 366 LYS QB 2.780 &rst ixpk= 0, nxpk= 0, iat=5681, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr2=5683,5684, / # # 366 LYS QB 366 LYS HG2 3.000 &rst ixpk= 0, nxpk= 0, iat= -1,5686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1=5683,5684, / # # 365 LYS HG3 366 LYS QB 5.390 &rst ixpk= 0, nxpk= 0, iat=5665, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=5683,5684, / # # 365 LYS QB 366 LYS QB 5.070 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=5661,5662, igr2=5683,5684, / # # 305 VAL H 305 VAL HB 3.700 &rst ixpk= 0, nxpk= 0, iat=4648,4652, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, / # # 305 VAL HA 305 VAL HB 2.850 &rst ixpk= 0, nxpk= 0, iat=4650,4652, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 305 VAL HB 307 ILE QG2 4.070 &rst ixpk= 0, nxpk= 0, iat=4652, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2=4684,4685,4686, / # # 317 ILE HA 317 ILE HG13 3.690 &rst ixpk= 0, nxpk= 0, iat=4846,4855, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 286 LYS H 286 LYS HB3 3.970 &rst ixpk= 0, nxpk= 0, iat=4334,4339, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, / # # 364 VAL H 364 VAL HB 3.360 &rst ixpk= 0, nxpk= 0, iat=5641,5645, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, / # # 286 LYS HB2 287 SER HA 5.190 &rst ixpk= 0, nxpk= 0, iat=4338,4358, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 286 LYS HB2 288 PRO HD2 5.360 &rst ixpk= 0, nxpk= 0, iat=4338,4368, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 283 ILE HA 286 LYS HB2 4.540 &rst ixpk= 0, nxpk= 0, iat=4293,4338, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 286 LYS HB2 288 PRO HD3 5.360 &rst ixpk= 0, nxpk= 0, iat=4338,4369, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 291 LEU HG 315 HIET HB3 3.920 &rst ixpk= 0, nxpk= 0, iat=4424,4816, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, / # # 315 HIET HB2 316 VAL H 4.350 &rst ixpk= 0, nxpk= 0, iat=4815,4828, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 315 HIET H 315 HIET HB2 4.150 &rst ixpk= 0, nxpk= 0, iat=4811,4815, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 305 VAL HB 306 ASN H 4.350 &rst ixpk= 0, nxpk= 0, iat=4652,4664, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 316 VAL H 316 VAL HB 3.520 &rst ixpk= 0, nxpk= 0, iat=4828,4832, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 316 VAL HB 317 ILE H 3.800 &rst ixpk= 0, nxpk= 0, iat=4832,4844, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 313 ASP H 316 VAL HB 5.480 &rst ixpk= 0, nxpk= 0, iat=4775,4832, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, / # # 315 HIET H 316 VAL HB 5.500 &rst ixpk= 0, nxpk= 0, iat=4811,4832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 313 ASP HA 316 VAL HB 4.110 &rst ixpk= 0, nxpk= 0, iat=4777,4832, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, / # # 316 VAL HB 318 LEU H 5.500 &rst ixpk= 0, nxpk= 0, iat=4832,4863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 317 ILE HG13 318 LEU H 5.410 &rst ixpk= 0, nxpk= 0, iat=4855,4863, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 268 VAL H 268 VAL HB 3.650 &rst ixpk= 0, nxpk= 0, iat=4039,4043, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 268 VAL HB 269 LYS H 4.100 &rst ixpk= 0, nxpk= 0, iat=4043,4055, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 268 VAL HB 269 LYS HA 4.900 &rst ixpk= 0, nxpk= 0, iat=4043,4057, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 276 VAL HB 277 GLU HA 5.490 &rst ixpk= 0, nxpk= 0, iat=4171,4185, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 343 GLU H 343 GLU QB 3.300 &rst ixpk= 0, nxpk= 0, iat=5281, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2=5285,5286, / # # 342 LYS H 343 GLU QB 4.870 &rst ixpk= 0, nxpk= 0, iat=5259, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2=5285,5286, / # # 342 LYS HB3 343 GLU QB 3.740 &rst ixpk= 0, nxpk= 0, iat=5264, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=5285,5286, / # # 343 GLU QB 349 THR QG2 5.100 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1=5285,5286, igr2=5391,5392,5393, / # # 354 VAL HB 355 ILE H 4.190 &rst ixpk= 0, nxpk= 0, iat=5483,5495, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 351 LYS HA 354 VAL HB 4.160 &rst ixpk= 0, nxpk= 0, iat=5418,5483, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, / # # 317 ILE H 317 ILE HG12 4.140 &rst ixpk= 0, nxpk= 0, iat=4844,4854, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, / # # 317 ILE HA 317 ILE HG12 4.010 &rst ixpk= 0, nxpk= 0, iat=4846,4854, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 359 LYS QB 359 LYS HD2 3.570 &rst ixpk= 0, nxpk= 0, iat= -1,5568, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1=5562,5563, / # # 309 ARG HA 340 LYS HD3 6.000 &rst ixpk= 0, nxpk= 0, iat=4711,5238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 340 LYS HA 340 LYS HD3 5.020 &rst ixpk= 0, nxpk= 0, iat=5229,5238, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 317 ILE HG12 318 LEU H 5.290 &rst ixpk= 0, nxpk= 0, iat=4854,4863, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 365 LYS QB 366 LYS HA 4.890 &rst ixpk= 0, nxpk= 0, iat= -1,5681, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=5661,5662, / # # 364 VAL H 365 LYS QB 5.330 &rst ixpk= 0, nxpk= 0, iat=5641, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=5661,5662, / # # 365 LYS QB 368 LEU H 4.980 &rst ixpk= 0, nxpk= 0, iat= -1,5722, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1=5661,5662, / # # 365 LYS QB 367 TYR H 5.190 &rst ixpk= 0, nxpk= 0, iat= -1,5701, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1=5661,5662, / # # 365 LYS QB 366 LYS H 3.800 &rst ixpk= 0, nxpk= 0, iat= -1,5679, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1=5661,5662, / # # 362 SER HA 365 LYS QB 4.490 &rst ixpk= 0, nxpk= 0, iat=5616, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=5661,5662, / # # 365 LYS QB 368 LEU HB2 4.380 &rst ixpk= 0, nxpk= 0, iat= -1,5726, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1=5661,5662, / # # 314 TRP HB3 315 HIET H 4.330 &rst ixpk= 0, nxpk= 0, iat=4792,4811, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 314 TRP HB3 356 THR QG2 4.880 &rst ixpk= 0, nxpk= 0, iat=4792, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2=5520,5521,5522, / # # 314 TRP HB2 315 HIET H 4.400 &rst ixpk= 0, nxpk= 0, iat=4791,4811, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 311 ARG HA 314 TRP HB2 4.990 &rst ixpk= 0, nxpk= 0, iat=4746,4791, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 358 SER HA 361 TRP HB3 4.670 &rst ixpk= 0, nxpk= 0, iat=5549,5595, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 321 MET QE 361 TRP HB3 4.320 &rst ixpk= 0, nxpk= 0, iat= -1,5595, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=4933,4934,4935, / # # 361 TRP H 361 TRP HB3 3.740 &rst ixpk= 0, nxpk= 0, iat=5590,5595, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 360 ALA QB 361 TRP HB3 5.040 &rst ixpk= 0, nxpk= 0, iat= -1,5595, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=5584,5585,5586, / # # 267 LEU QD1 361 TRP HB3 5.040 &rst ixpk= 0, nxpk= 0, iat= -1,5595, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=4029,4030,4031, / # # 267 LEU QD2 361 TRP HB3 4.540 &rst ixpk= 0, nxpk= 0, iat= -1,5595, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=4033,4034,4035, / # # 358 SER HA 361 TRP HB2 4.740 &rst ixpk= 0, nxpk= 0, iat=5549,5594, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 361 TRP H 361 TRP HB2 3.680 &rst ixpk= 0, nxpk= 0, iat=5590,5594, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 357 LEU HB3 361 TRP HB2 4.900 &rst ixpk= 0, nxpk= 0, iat=5533,5594, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 360 ALA QB 361 TRP HB2 5.470 &rst ixpk= 0, nxpk= 0, iat= -1,5594, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1=5584,5585,5586, / # # 267 LEU QD1 361 TRP HB2 4.990 &rst ixpk= 0, nxpk= 0, iat= -1,5594, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4029,4030,4031, / # # 348 ASN HB2 351 LYS HB3 5.150 &rst ixpk= 0, nxpk= 0, iat=5375,5421, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 281 GLU QB 282 GLU H 3.560 &rst ixpk= 0, nxpk= 0, iat= -1,4276, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=4265,4266, / # # 320 LEU HB3 325 VAL HB 4.900 &rst ixpk= 0, nxpk= 0, iat=4908,4989, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 325 VAL HB 326 THR H 5.500 &rst ixpk= 0, nxpk= 0, iat=4989,5001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 288 PRO HB2 289 PRO HD2 4.460 &rst ixpk= 0, nxpk= 0, iat=4374,4382, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 368 LEU HB2 369 GLU HB2 5.500 &rst ixpk= 0, nxpk= 0, iat=5726,5745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 270 ARG H 270 ARG HB2 3.660 &rst ixpk= 0, nxpk= 0, iat=4077,4081, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 267 LEU QD2 270 ARG HB2 4.830 &rst ixpk= 0, nxpk= 0, iat= -1,4081, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=4033,4034,4035, / # # 288 PRO HB3 292 ILE QG2 4.160 &rst ixpk= 0, nxpk= 0, iat=4375, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2=4442,4443,4444, / # # 351 LYS HB3 355 ILE QD1 5.500 &rst ixpk= 0, nxpk= 0, iat=5421, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5508,5509,5510, / # # 279 ILE HA 282 GLU HB3 3.990 &rst ixpk= 0, nxpk= 0, iat=4222,4281, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 281 GLU QB 285 THR QG2 4.690 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1=4265,4266, igr2=4326,4327,4328, / # # 282 GLU HB3 285 THR QG2 4.650 &rst ixpk= 0, nxpk= 0, iat=4281, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=4326,4327,4328, / # # 281 GLU HA 281 GLU QB 2.980 &rst ixpk= 0, nxpk= 0, iat=4263, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=4265,4266, / # # 279 ILE HA 282 GLU HB2 3.990 &rst ixpk= 0, nxpk= 0, iat=4222,4280, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 366 LYS HA 369 GLU HB2 4.220 &rst ixpk= 0, nxpk= 0, iat=5681,5745, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 369 GLU HB2 369 GLU HG3 2.920 &rst ixpk= 0, nxpk= 0, iat=5745,5749, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, / # # 337 ARG H 337 ARG HB3 3.540 &rst ixpk= 0, nxpk= 0, iat=5180,5185, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 336 PRO HA 337 ARG HB3 4.740 &rst ixpk= 0, nxpk= 0, iat=5176,5185, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 301 THR QG2 337 ARG HB3 4.320 &rst ixpk= 0, nxpk= 0, iat= -1,5185, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=4597,4598,4599, / # # 337 ARG HB3 338 ASP H 4.610 &rst ixpk= 0, nxpk= 0, iat=5185,5204, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 266 GLU HA 270 ARG HB2 4.930 &rst ixpk= 0, nxpk= 0, iat=4007,4081, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 331 ILE HA 331 ILE HG13 4.090 &rst ixpk= 0, nxpk= 0, iat=5077,5086, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 307 ILE QG1 312 GLY HA3 4.510 &rst ixpk= 0, nxpk= 0, iat= -1,4771, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=4688,4689, / # # 331 ILE HA 331 ILE HG12 4.090 &rst ixpk= 0, nxpk= 0, iat=5077,5085, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 331 ILE H 331 ILE HG12 4.220 &rst ixpk= 0, nxpk= 0, iat=5075,5085, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 298 GLU HB2 299 ASN H 5.190 &rst ixpk= 0, nxpk= 0, iat=4544,4555, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 294 GLU HA 298 GLU HB2 3.930 &rst ixpk= 0, nxpk= 0, iat=4479,4544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 298 GLU HB2 300 LYS QD 4.270 &rst ixpk= 0, nxpk= 0, iat=4544, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=4579,4580, / # # 298 GLU HB2 300 LYS HG3 4.380 &rst ixpk= 0, nxpk= 0, iat=4544,4577, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 298 GLU HB3 300 LYS HG3 4.320 &rst ixpk= 0, nxpk= 0, iat=4545,4577, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 330 LYS H 330 LYS QD 3.800 &rst ixpk= 0, nxpk= 0, iat=5053, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=5063,5064, / # # 333 GLU HB3 334 LEU HA 4.890 &rst ixpk= 0, nxpk= 0, iat=5118,5130, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 333 GLU H 333 GLU HB3 3.610 &rst ixpk= 0, nxpk= 0, iat=5113,5118, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, / # # 333 GLU HB2 334 LEU H 3.320 &rst ixpk= 0, nxpk= 0, iat=5117,5128, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, / # # 276 VAL QG2 333 GLU HB2 3.360 &rst ixpk= 0, nxpk= 0, iat= -1,5117, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=4177,4178,4179, / # # 332 LEU H 333 GLU HB2 5.440 &rst ixpk= 0, nxpk= 0, iat=5094,5117, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, / # # 266 GLU HA 266 GLU QB 2.840 &rst ixpk= 0, nxpk= 0, iat=4007, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2=4009,4010, / # # 262 GLU HA 265 LYS QD 3.630 &rst ixpk= 0, nxpk= 0, iat=3927, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=3993,3994, / # # 269 LYS HD3 269 LYS QE 2.980 &rst ixpk= 0, nxpk= 0, iat=4066, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=4068,4069, / # # 265 LYS H 265 LYS QD 3.710 &rst ixpk= 0, nxpk= 0, iat=3983, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=3993,3994, / # # 293 LYS HA 293 LYS HD3 5.120 &rst ixpk= 0, nxpk= 0, iat=4457,4466, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 268 VAL H 270 ARG HB2 5.330 &rst ixpk= 0, nxpk= 0, iat=4039,4081, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, / # # 293 LYS HA 293 LYS HD2 5.120 &rst ixpk= 0, nxpk= 0, iat=4457,4465, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 322 LYS H 322 LYS HD3 5.120 &rst ixpk= 0, nxpk= 0, iat=4939,4950, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 322 LYS HB2 322 LYS HD3 3.720 &rst ixpk= 0, nxpk= 0, iat=4943,4950, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 322 LYS HD3 367 TYR QE 5.500 &rst ixpk= 0, nxpk= 0, iat=4950, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5711,5716, / # # 319 TYR HA 322 LYS HD3 4.830 &rst ixpk= 0, nxpk= 0, iat=4884,4950, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 319 TYR HA 322 LYS HD2 4.830 &rst ixpk= 0, nxpk= 0, iat=4884,4949, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 322 LYS H 322 LYS HD2 5.120 &rst ixpk= 0, nxpk= 0, iat=4939,4949, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 351 LYS H 351 LYS HD3 5.150 &rst ixpk= 0, nxpk= 0, iat=5416,5427, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 351 LYS H 351 LYS HD2 5.150 &rst ixpk= 0, nxpk= 0, iat=5416,5426, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 351 LYS HA 351 LYS HD2 4.340 &rst ixpk= 0, nxpk= 0, iat=5418,5426, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 262 GLU HA 262 GLU QB 2.850 &rst ixpk= 0, nxpk= 0, iat=3927, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2=3929,3930, / # # 266 GLU QB 268 VAL H 4.680 &rst ixpk= 0, nxpk= 0, iat= -1,4039, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=4009,4010, / # # 266 GLU QB 267 LEU HA 4.380 &rst ixpk= 0, nxpk= 0, iat= -1,4022, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1=4009,4010, / # # 330 LYS HB3 333 GLU HB2 5.390 &rst ixpk= 0, nxpk= 0, iat=5058,5117, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 266 GLU QB 267 LEU QD2 4.590 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1=4009,4010, igr2=4033,4034,4035, / # # 266 GLU QB 361 TRP HE1 4.750 &rst ixpk= 0, nxpk= 0, iat= -1,5600, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=4009,4010, / # # 266 GLU QB 267 LEU HG 4.150 &rst ixpk= 0, nxpk= 0, iat= -1,4027, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1=4009,4010, / # # 266 GLU QB 267 LEU QD1 4.770 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=4009,4010, igr2=4029,4030,4031, / # # 355 ILE QG1 356 THR H 4.120 &rst ixpk= 0, nxpk= 0, iat= -1,5514, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=5505,5506, / # # 355 ILE HA 355 ILE QG1 3.250 &rst ixpk= 0, nxpk= 0, iat=5497, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2=5505,5506, / # # 307 ILE H 307 ILE QG1 5.270 &rst ixpk= 0, nxpk= 0, iat=4678, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=4688,4689, / # # 307 ILE HA 307 ILE QG1 3.410 &rst ixpk= 0, nxpk= 0, iat=4680, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=4688,4689, / # # 264 ARG HB2 265 LYS H 4.180 &rst ixpk= 0, nxpk= 0, iat=3963,3983, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 294 GLU HA 300 LYS QD 4.080 &rst ixpk= 0, nxpk= 0, iat=4479, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=4579,4580, / # # 300 LYS QD 301 THR H 4.450 &rst ixpk= 0, nxpk= 0, iat= -1,4591, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=4579,4580, / # # 300 LYS H 300 LYS QD 4.120 &rst ixpk= 0, nxpk= 0, iat=4569, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2=4579,4580, / # # 300 LYS HA 300 LYS QD 4.150 &rst ixpk= 0, nxpk= 0, iat=4571, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=4579,4580, / # # 300 LYS HB2 300 LYS QD 2.910 &rst ixpk= 0, nxpk= 0, iat=4573, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=4579,4580, / # # 295 ILE QD1 300 LYS QD 4.860 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=4505,4506,4507, igr2=4579,4580, / # # 365 LYS QD 366 LYS H 5.390 &rst ixpk= 0, nxpk= 0, iat= -1,5679, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=5667,5668, / # # 362 SER HA 365 LYS QD 3.760 &rst ixpk= 0, nxpk= 0, iat=5616, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2=5667,5668, / # # 365 LYS HA 365 LYS QD 4.300 &rst ixpk= 0, nxpk= 0, iat=5659, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=5667,5668, / # # 365 LYS QB 365 LYS QD 2.950 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1=5661,5662, igr2=5667,5668, / # # 261 GLU HB3 262 GLU H 4.110 &rst ixpk= 0, nxpk= 0, iat=3915,3925, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, / # # 261 GLU HB2 262 GLU H 4.110 &rst ixpk= 0, nxpk= 0, iat=3914,3925, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, / # # 277 GLU QB 280 LYS HE3 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4253, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4187,4188, / # # 283 ILE HA 283 ILE HG12 3.710 &rst ixpk= 0, nxpk= 0, iat=4293,4301, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 286 LYS H 286 LYS QD 5.020 &rst ixpk= 0, nxpk= 0, iat=4334, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=4344,4345, / # # 285 THR H 286 LYS QD 5.210 &rst ixpk= 0, nxpk= 0, iat=4320, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2=4344,4345, / # # 286 LYS HB3 286 LYS QD 3.110 &rst ixpk= 0, nxpk= 0, iat=4339, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2=4344,4345, / # # 286 LYS HG3 286 LYS QD 2.400 &rst ixpk= 0, nxpk= 0, iat=4342, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, igr2=4344,4345, / # # 366 LYS H 366 LYS QD 4.880 &rst ixpk= 0, nxpk= 0, iat=5679, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=5689,5690, / # # 366 LYS QD 367 TYR HA 5.330 &rst ixpk= 0, nxpk= 0, iat= -1,5703, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1=5689,5690, / # # 363 VAL HA 366 LYS QD 4.070 &rst ixpk= 0, nxpk= 0, iat=5627, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2=5689,5690, / # # 366 LYS QD 367 TYR H 5.070 &rst ixpk= 0, nxpk= 0, iat= -1,5701, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=5689,5690, / # # 342 LYS HA 342 LYS QD 4.040 &rst ixpk= 0, nxpk= 0, iat=5261, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2=5269,5270, / # # 283 ILE H 283 ILE HG13 4.500 &rst ixpk= 0, nxpk= 0, iat=4291,4302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 283 ILE HG13 319 TYR QE 4.840 &rst ixpk= 0, nxpk= 0, iat=4302, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=4892,4897, / # # 283 ILE HA 283 ILE HG13 3.710 &rst ixpk= 0, nxpk= 0, iat=4293,4302, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 277 GLU H 277 GLU QB 3.000 &rst ixpk= 0, nxpk= 0, iat=4183, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=4187,4188, / # # 276 VAL H 277 GLU QB 5.370 &rst ixpk= 0, nxpk= 0, iat=4167, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=4187,4188, / # # 277 GLU QB 280 LYS H 5.460 &rst ixpk= 0, nxpk= 0, iat= -1,4239, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr1=4187,4188, / # # 277 GLU QB 279 ILE H 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,4220, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4187,4188, / # # 277 GLU QB 278 LYS H 3.590 &rst ixpk= 0, nxpk= 0, iat= -1,4198, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1=4187,4188, / # # 277 GLU QB 278 LYS HA 4.320 &rst ixpk= 0, nxpk= 0, iat= -1,4200, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=4187,4188, / # # 277 GLU HA 277 GLU QB 2.620 &rst ixpk= 0, nxpk= 0, iat=4185, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, igr2=4187,4188, / # # 283 ILE H 283 ILE HG12 4.500 &rst ixpk= 0, nxpk= 0, iat=4291,4301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 283 ILE HG12 319 TYR QE 5.000 &rst ixpk= 0, nxpk= 0, iat=4301, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=4892,4897, / # # 296 ILE H 296 ILE QG1 3.310 &rst ixpk= 0, nxpk= 0, iat=4511, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2=4521,4522, / # # 296 ILE QG1 297 CYX H 3.990 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1=4521,4522, / # # 296 ILE HA 296 ILE QG1 3.270 &rst ixpk= 0, nxpk= 0, iat=4513, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2=4521,4522, / # # 293 LYS HA 296 ILE QG1 5.170 &rst ixpk= 0, nxpk= 0, iat=4457, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=4521,4522, / # # 292 ILE HA 296 ILE QG1 4.180 &rst ixpk= 0, nxpk= 0, iat=4438, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=4521,4522, / # # 339 SER H 342 LYS QD 5.340 &rst ixpk= 0, nxpk= 0, iat=5216, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=5269,5270, / # # 279 ILE HA 279 ILE HG13 3.580 &rst ixpk= 0, nxpk= 0, iat=4222,4231, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, / # # 279 ILE HG12 280 LYS H 5.360 &rst ixpk= 0, nxpk= 0, iat=4230,4239, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 279 ILE H 279 ILE HG12 4.260 &rst ixpk= 0, nxpk= 0, iat=4220,4230, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, / # # 279 ILE HA 279 ILE HG12 3.390 &rst ixpk= 0, nxpk= 0, iat=4222,4230, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, / # # 283 ILE QD1 323 HID HB3 4.470 &rst ixpk= 0, nxpk= 0, iat= -1,4966, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=4304,4305,4306, / # # 322 LYS H 323 HID HB2 5.190 &rst ixpk= 0, nxpk= 0, iat=4939,4965, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 320 LEU HA 323 HID HB2 4.010 &rst ixpk= 0, nxpk= 0, iat=4905,4965, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 314 TRP HZ3 359 LYS HD2 4.610 &rst ixpk= 0, nxpk= 0, iat=4804,5568, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 359 LYS H 359 LYS HD2 4.670 &rst ixpk= 0, nxpk= 0, iat=5558,5568, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 356 THR HA 359 LYS HD2 4.210 &rst ixpk= 0, nxpk= 0, iat=5516,5568, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, / # # 356 THR QG2 359 LYS HD2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5520,5521,5522, / # # 355 ILE QG2 359 LYS HD2 4.960 &rst ixpk= 0, nxpk= 0, iat= -1,5568, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1=5501,5502,5503, / # # 356 THR HA 359 LYS HD3 4.920 &rst ixpk= 0, nxpk= 0, iat=5516,5569, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 355 ILE QG2 359 LYS HD3 4.600 &rst ixpk= 0, nxpk= 0, iat= -1,5569, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=5501,5502,5503, / # # 314 TRP HZ3 359 LYS HD3 4.900 &rst ixpk= 0, nxpk= 0, iat=4804,5569, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 278 LYS QD 281 GLU H 5.140 &rst ixpk= 0, nxpk= 0, iat= -1,4261, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=4208,4209, / # # 278 LYS H 278 LYS QD 4.300 &rst ixpk= 0, nxpk= 0, iat=4198, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=4208,4209, / # # 278 LYS HA 278 LYS QD 2.950 &rst ixpk= 0, nxpk= 0, iat=4200, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, igr2=4208,4209, / # # 275 PRO HD2 278 LYS QD 4.270 &rst ixpk= 0, nxpk= 0, iat=4154, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr2=4208,4209, / # # 278 LYS QD 281 GLU QG 3.990 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=4208,4209, igr2=4268,4269, / # # 278 LYS HG2 278 LYS QD 2.560 &rst ixpk= 0, nxpk= 0, iat=4205, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, igr2=4208,4209, / # # 278 LYS HG3 278 LYS QD 2.830 &rst ixpk= 0, nxpk= 0, iat=4206, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, igr2=4208,4209, / # # 275 PRO HG2 277 GLU H 4.710 &rst ixpk= 0, nxpk= 0, iat=4157,4183, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 275 PRO HG2 276 VAL H 5.030 &rst ixpk= 0, nxpk= 0, iat=4157,4167, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, / # # 289 PRO HG2 319 TYR QE 4.790 &rst ixpk= 0, nxpk= 0, iat=4385, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=4892,4897, / # # 289 PRO HG2 292 ILE QG2 5.140 &rst ixpk= 0, nxpk= 0, iat=4385, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=4442,4443,4444, / # # 289 PRO HG2 292 ILE QG1 5.140 &rst ixpk= 0, nxpk= 0, iat=4385, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2=4446,4447, / # # 350 GLN QB 351 LYS HB2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=5403,5404, / # # 292 ILE HA 295 ILE HG13 5.240 &rst ixpk= 0, nxpk= 0, iat=4438,4503, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 295 ILE HG13 296 ILE H 4.960 &rst ixpk= 0, nxpk= 0, iat=4503,4511, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 295 ILE H 295 ILE HG13 4.630 &rst ixpk= 0, nxpk= 0, iat=4492,4503, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, / # # 291 LEU QD1 295 ILE HG13 4.950 &rst ixpk= 0, nxpk= 0, iat= -1,4503, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=4426,4427,4428, / # # 295 ILE QG2 295 ILE HG13 3.750 &rst ixpk= 0, nxpk= 0, iat= -1,4503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=4498,4499,4500, / # # 275 PRO HG3 277 GLU H 5.190 &rst ixpk= 0, nxpk= 0, iat=4158,4183, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 275 PRO HG3 278 LYS H 4.380 &rst ixpk= 0, nxpk= 0, iat=4158,4198, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 289 PRO HG3 319 TYR QE 4.790 &rst ixpk= 0, nxpk= 0, iat=4386, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=4892,4897, / # # 328 PRO HG3 329 ASP H 4.640 &rst ixpk= 0, nxpk= 0, iat=5032,5041, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 264 ARG HA 328 PRO HG3 4.370 &rst ixpk= 0, nxpk= 0, iat=3961,5032, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 267 LEU QD1 328 PRO HG3 3.840 &rst ixpk= 0, nxpk= 0, iat= -1,5032, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr1=4029,4030,4031, / # # 356 THR QG2 359 LYS HD3 4.780 &rst ixpk= 0, nxpk= 0, iat= -1,5569, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=5520,5521,5522, / # # 328 PRO HG2 329 ASP H 5.040 &rst ixpk= 0, nxpk= 0, iat=5031,5041, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 328 PRO HG2 353 PHE QE 4.850 &rst ixpk= 0, nxpk= 0, iat=5031, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=5469,5473, / # # 264 ARG HA 328 PRO HG2 5.500 &rst ixpk= 0, nxpk= 0, iat=3961,5031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 267 LEU QD1 328 PRO HG2 4.330 &rst ixpk= 0, nxpk= 0, iat= -1,5031, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=4029,4030,4031, / # # 295 ILE H 295 ILE HG12 3.950 &rst ixpk= 0, nxpk= 0, iat=4492,4502, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 295 ILE QG2 295 ILE HG12 4.170 &rst ixpk= 0, nxpk= 0, iat= -1,4502, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=4498,4499,4500, / # # 295 ILE HG12 305 VAL QG2 4.290 &rst ixpk= 0, nxpk= 0, iat=4502, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=4658,4659,4660, / # # 342 LYS HG3 343 GLU H 4.950 &rst ixpk= 0, nxpk= 0, iat=5267,5281, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 342 LYS HA 342 LYS HG3 3.850 &rst ixpk= 0, nxpk= 0, iat=5261,5267, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 342 LYS H 342 LYS HG3 4.970 &rst ixpk= 0, nxpk= 0, iat=5259,5267, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 342 LYS HG2 343 GLU H 5.000 &rst ixpk= 0, nxpk= 0, iat=5266,5281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 342 LYS H 342 LYS HG2 4.980 &rst ixpk= 0, nxpk= 0, iat=5259,5266, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 342 LYS HA 342 LYS HG2 3.870 &rst ixpk= 0, nxpk= 0, iat=5261,5266, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 320 LEU QD1 321 MET H 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4922, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4912,4913,4914, / # # 320 LEU QD1 331 ILE HA 4.780 &rst ixpk= 0, nxpk= 0, iat= -1,5077, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=4912,4913,4914, / # # 334 LEU HA 334 LEU HG 3.690 &rst ixpk= 0, nxpk= 0, iat=5130,5135, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 264 ARG HG3 265 LYS H 5.010 &rst ixpk= 0, nxpk= 0, iat=3967,3983, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 264 ARG HA 264 ARG HG3 4.020 &rst ixpk= 0, nxpk= 0, iat=3961,3967, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 264 ARG HG3 267 LEU QD1 5.130 &rst ixpk= 0, nxpk= 0, iat=3967, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr2=4029,4030,4031, / # # 339 SER H 342 LYS HG2 5.090 &rst ixpk= 0, nxpk= 0, iat=5216,5266, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, / # # 266 GLU HA 270 ARG QG 4.410 &rst ixpk= 0, nxpk= 0, iat=4007, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2=4084,4085, / # # 267 LEU QD2 270 ARG QG 4.450 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4033,4034,4035, igr2=4084,4085, / # # 331 ILE HA 334 LEU HG 5.040 &rst ixpk= 0, nxpk= 0, iat=5077,5135, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 264 ARG H 264 ARG HG2 4.320 &rst ixpk= 0, nxpk= 0, iat=3959,3966, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 263 LEU H 264 ARG HG2 5.550 &rst ixpk= 0, nxpk= 0, iat=3940,3966, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, / # # 295 ILE HG13 336 PRO HG3 4.980 &rst ixpk= 0, nxpk= 0, iat=4503,5171, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 263 LEU QQD 264 ARG HG2 3.620 &rst ixpk= 0, nxpk= 0, iat=3946,3966, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 264 ARG HG2 267 LEU QD1 3.580 &rst ixpk= 0, nxpk= 0, iat=3966, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=4029,4030,4031, / # # 264 ARG HG2 267 LEU QD2 5.500 &rst ixpk= 0, nxpk= 0, iat=3966, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4033,4034,4035, / # # 279 ILE H 334 LEU QD1 5.500 &rst ixpk= 0, nxpk= 0, iat=4220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5137,5138,5139, / # # 334 LEU QD1 335 LEU H 4.790 &rst ixpk= 0, nxpk= 0, iat= -1,5147, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=5137,5138,5139, / # # 333 GLU H 334 LEU QD1 5.480 &rst ixpk= 0, nxpk= 0, iat=5113, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=5137,5138,5139, / # # 276 VAL HA 334 LEU QD1 4.050 &rst ixpk= 0, nxpk= 0, iat=4169, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=5137,5138,5139, / # # 331 ILE HA 334 LEU QD1 4.720 &rst ixpk= 0, nxpk= 0, iat=5077, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=5137,5138,5139, / # # 334 LEU HB3 334 LEU QD1 3.190 &rst ixpk= 0, nxpk= 0, iat=5133, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=5137,5138,5139, / # # 317 ILE HA 320 LEU HG 5.070 &rst ixpk= 0, nxpk= 0, iat=4846,4910, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 320 LEU HG 321 MET H 4.880 &rst ixpk= 0, nxpk= 0, iat=4910,4922, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 320 LEU HA 320 LEU HG 3.910 &rst ixpk= 0, nxpk= 0, iat=4905,4910, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 367 TYR HB2 368 LEU HG 4.860 &rst ixpk= 0, nxpk= 0, iat=5705,5729, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 322 LYS H 322 LYS HG3 4.420 &rst ixpk= 0, nxpk= 0, iat=4939,4947, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 322 LYS HA 322 LYS HG3 3.890 &rst ixpk= 0, nxpk= 0, iat=4941,4947, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 302 TYR QD 336 PRO HG3 4.870 &rst ixpk= 0, nxpk= 0, iat= -1,5171, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=4613,4622, / # # 301 THR HA 336 PRO HG3 4.460 &rst ixpk= 0, nxpk= 0, iat=4593,5171, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 302 TYR H 336 PRO HG3 5.110 &rst ixpk= 0, nxpk= 0, iat=4605,5171, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, / # # 322 LYS H 322 LYS HG2 4.420 &rst ixpk= 0, nxpk= 0, iat=4939,4946, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 322 LYS HA 322 LYS HG2 3.890 &rst ixpk= 0, nxpk= 0, iat=4941,4946, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 322 LYS HG2 364 VAL HA 5.500 &rst ixpk= 0, nxpk= 0, iat=4946,5643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 291 LEU HG 316 VAL H 5.300 &rst ixpk= 0, nxpk= 0, iat=4424,4828, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 291 LEU HA 291 LEU HG 4.170 &rst ixpk= 0, nxpk= 0, iat=4419,4424, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 291 LEU HG 312 GLY HA2 3.860 &rst ixpk= 0, nxpk= 0, iat=4424,4770, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 291 LEU HG 315 HIET HB2 3.920 &rst ixpk= 0, nxpk= 0, iat=4424,4815, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, / # # 291 LEU HG 312 GLY HA3 5.210 &rst ixpk= 0, nxpk= 0, iat=4424,4771, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, / # # 318 LEU HG 319 TYR H 5.210 &rst ixpk= 0, nxpk= 0, iat=4870,4882, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, / # # 315 HIET HA 318 LEU HG 4.250 &rst ixpk= 0, nxpk= 0, iat=4813,4870, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 318 LEU HA 318 LEU HG 3.710 &rst ixpk= 0, nxpk= 0, iat=4865,4870, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 336 PRO HG2 337 ARG H 4.990 &rst ixpk= 0, nxpk= 0, iat=5170,5180, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 335 LEU HA 336 PRO HG2 4.650 &rst ixpk= 0, nxpk= 0, iat=5149,5170, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 301 THR HA 336 PRO HG2 4.460 &rst ixpk= 0, nxpk= 0, iat=4593,5170, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 295 ILE QD1 336 PRO HG2 4.500 &rst ixpk= 0, nxpk= 0, iat= -1,5170, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=4505,4506,4507, / # # 302 TYR QD 336 PRO HG2 4.840 &rst ixpk= 0, nxpk= 0, iat= -1,5170, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1=4613,4622, / # # 292 ILE QG1 319 TYR QE 4.540 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=4446,4447, igr2=4892,4897, / # # 292 ILE QG1 319 TYR QB 5.060 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=4446,4447, igr2=4886,4887, / # # 289 PRO HG3 292 ILE QG1 5.140 &rst ixpk= 0, nxpk= 0, iat=4386, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2=4446,4447, / # # 289 PRO HD2 292 ILE QG1 5.090 &rst ixpk= 0, nxpk= 0, iat=4382, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2=4446,4447, / # # 280 LYS H 280 LYS QG 3.630 &rst ixpk= 0, nxpk= 0, iat=4239, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=4246,4247, / # # 280 LYS QG 281 GLU H 4.560 &rst ixpk= 0, nxpk= 0, iat= -1,4261, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=4246,4247, / # # 280 LYS HA 280 LYS QG 3.290 &rst ixpk= 0, nxpk= 0, iat=4241, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=4246,4247, / # # 280 LYS QG 280 LYS HE2 3.710 &rst ixpk= 0, nxpk= 0, iat= -1,4252, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=4246,4247, / # # 263 LEU HG 264 ARG HG2 3.600 &rst ixpk= 0, nxpk= 0, iat=3947,3966, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 263 LEU HG 267 LEU HG 3.750 &rst ixpk= 0, nxpk= 0, iat=3947,4027, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, / # # 300 LYS HA 300 LYS HG2 3.630 &rst ixpk= 0, nxpk= 0, iat=4571,4576, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 300 LYS HG3 301 THR H 4.800 &rst ixpk= 0, nxpk= 0, iat=4577,4591, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 300 LYS HA 300 LYS HG3 3.500 &rst ixpk= 0, nxpk= 0, iat=4571,4577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 300 LYS HG3 304 ASP HB3 5.500 &rst ixpk= 0, nxpk= 0, iat=4577,4641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 295 ILE QD1 300 LYS HG3 5.270 &rst ixpk= 0, nxpk= 0, iat= -1,4577, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1=4505,4506,4507, / # # 267 LEU HG 326 THR HB 4.970 &rst ixpk= 0, nxpk= 0, iat=4027,5005, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 265 LYS H 267 LEU HG 5.070 &rst ixpk= 0, nxpk= 0, iat=3983,4027, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 263 LEU HA 267 LEU HG 4.670 &rst ixpk= 0, nxpk= 0, iat=3942,4027, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 264 ARG HA 267 LEU HG 3.980 &rst ixpk= 0, nxpk= 0, iat=3961,4027, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 263 LEU HG 264 ARG H 3.910 &rst ixpk= 0, nxpk= 0, iat=3947,3959, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 263 LEU HG 267 LEU H 5.000 &rst ixpk= 0, nxpk= 0, iat=3947,4020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 263 LEU H 263 LEU HG 4.330 &rst ixpk= 0, nxpk= 0, iat=3940,3947, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 263 LEU HA 263 LEU HG 3.550 &rst ixpk= 0, nxpk= 0, iat=3942,3947, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 348 ASN HB3 351 LYS HG3 4.230 &rst ixpk= 0, nxpk= 0, iat=5376,5424, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, / # # 263 LEU HG 267 LEU QD2 4.140 &rst ixpk= 0, nxpk= 0, iat=3947, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=4033,4034,4035, / # # 351 LYS HA 351 LYS HG2 3.970 &rst ixpk= 0, nxpk= 0, iat=5418,5423, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, / # # 264 ARG H 267 LEU QD1 4.580 &rst ixpk= 0, nxpk= 0, iat=3959, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=4029,4030,4031, / # # 267 LEU H 267 LEU QD1 3.610 &rst ixpk= 0, nxpk= 0, iat=4020, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2=4029,4030,4031, / # # 267 LEU QD1 361 TRP HE3 5.440 &rst ixpk= 0, nxpk= 0, iat= -1,5609, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=4029,4030,4031, / # # 263 LEU HA 267 LEU QD1 5.360 &rst ixpk= 0, nxpk= 0, iat=3942, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr2=4029,4030,4031, / # # 267 LEU QD1 358 SER HA 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5549, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4029,4030,4031, / # # 264 ARG HA 267 LEU QD1 3.260 &rst ixpk= 0, nxpk= 0, iat=3961, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=4029,4030,4031, / # # 267 LEU QD1 268 VAL H 4.770 &rst ixpk= 0, nxpk= 0, iat= -1,4039, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1=4029,4030,4031, / # # 332 LEU HA 335 LEU HG 4.800 &rst ixpk= 0, nxpk= 0, iat=5096,5154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 359 LYS HG2 360 ALA H 4.710 &rst ixpk= 0, nxpk= 0, iat=5565,5580, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 359 LYS H 359 LYS HG2 3.960 &rst ixpk= 0, nxpk= 0, iat=5558,5565, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, / # # 314 TRP HZ3 359 LYS HG2 4.250 &rst ixpk= 0, nxpk= 0, iat=4804,5565, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 356 THR HA 359 LYS HG2 3.870 &rst ixpk= 0, nxpk= 0, iat=5516,5565, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 262 GLU HA 265 LYS HG3 4.010 &rst ixpk= 0, nxpk= 0, iat=3927,3991, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 265 LYS HA 265 LYS HG3 3.880 &rst ixpk= 0, nxpk= 0, iat=3985,3991, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 359 LYS H 359 LYS HG3 4.060 &rst ixpk= 0, nxpk= 0, iat=5558,5566, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 314 TRP HZ3 359 LYS HG3 4.400 &rst ixpk= 0, nxpk= 0, iat=4804,5566, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 356 THR HA 359 LYS HG3 3.570 &rst ixpk= 0, nxpk= 0, iat=5516,5566, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 262 GLU HA 265 LYS HG2 4.010 &rst ixpk= 0, nxpk= 0, iat=3927,3990, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 368 LEU H 368 LEU QD2 4.050 &rst ixpk= 0, nxpk= 0, iat=5722, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=5735,5736,5737, / # # 368 LEU HA 368 LEU QD2 4.040 &rst ixpk= 0, nxpk= 0, iat=5724, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=5735,5736,5737, / # # 365 LYS HA 368 LEU QD2 4.000 &rst ixpk= 0, nxpk= 0, iat=5659, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=5735,5736,5737, / # # 267 LEU QD1 328 PRO HD3 3.870 &rst ixpk= 0, nxpk= 0, iat= -1,5029, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=4029,4030,4031, / # # 267 LEU QD1 328 PRO HD2 4.090 &rst ixpk= 0, nxpk= 0, iat= -1,5028, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1=4029,4030,4031, / # # 267 LEU QD1 321 MET QE 3.430 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=4029,4030,4031, igr2=4933,4934,4935, / # # 302 TYR QD 309 ARG HG3 4.840 &rst ixpk= 0, nxpk= 0, iat= -1,4717, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1=4613,4622, / # # 302 TYR QD 309 ARG HG2 4.840 &rst ixpk= 0, nxpk= 0, iat= -1,4716, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1=4613,4622, / # # 268 VAL H 269 LYS HG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4039,4062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 356 THR QG2 359 LYS HG3 4.290 &rst ixpk= 0, nxpk= 0, iat= -1,5566, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=5520,5521,5522, / # # 359 LYS HG3 360 ALA QB 4.430 &rst ixpk= 0, nxpk= 0, iat=5566, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2=5584,5585,5586, / # # 357 LEU QD1 358 SER H 4.790 &rst ixpk= 0, nxpk= 0, iat= -1,5547, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=5537,5538,5539, / # # 353 PHE QE 357 LEU QD1 3.660 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1=5469,5473, igr2=5537,5538,5539, / # # 328 PRO HD3 357 LEU QD1 5.350 &rst ixpk= 0, nxpk= 0, iat=5029, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr2=5537,5538,5539, / # # 328 PRO HA 357 LEU QD1 3.760 &rst ixpk= 0, nxpk= 0, iat=5037, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=5537,5538,5539, / # # 328 PRO HB3 357 LEU QD1 3.480 &rst ixpk= 0, nxpk= 0, iat=5035, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=5537,5538,5539, / # # 357 LEU HB2 357 LEU QD1 3.340 &rst ixpk= 0, nxpk= 0, iat=5532, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=5537,5538,5539, / # # 357 LEU HB3 357 LEU QD1 3.370 &rst ixpk= 0, nxpk= 0, iat=5533, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=5537,5538,5539, / # # 267 LEU QD2 357 LEU QD1 5.070 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1=4033,4034,4035, igr2=5537,5538,5539, / # # 269 LYS HA 269 LYS HG2 3.830 &rst ixpk= 0, nxpk= 0, iat=4057,4062, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 266 GLU HA 269 LYS HG2 4.070 &rst ixpk= 0, nxpk= 0, iat=4007,4062, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 269 LYS HG2 269 LYS HD3 2.620 &rst ixpk= 0, nxpk= 0, iat=4062,4066, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, / # # 269 LYS HG2 270 ARG H 4.360 &rst ixpk= 0, nxpk= 0, iat=4062,4077, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 269 LYS HG3 270 ARG H 3.890 &rst ixpk= 0, nxpk= 0, iat=4063,4077, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 266 GLU HA 269 LYS HG3 3.870 &rst ixpk= 0, nxpk= 0, iat=4007,4063, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 286 LYS HG2 286 LYS QD 2.510 &rst ixpk= 0, nxpk= 0, iat=4341, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, igr2=4344,4345, / # # 269 LYS HG3 270 ARG QG 3.300 &rst ixpk= 0, nxpk= 0, iat=4063, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2=4084,4085, / # # 332 LEU H 332 LEU QD1 3.910 &rst ixpk= 0, nxpk= 0, iat=5094, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=5103,5104,5105, / # # 332 LEU QD1 353 PHE HZ 3.760 &rst ixpk= 0, nxpk= 0, iat= -1,5471, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=5103,5104,5105, / # # 332 LEU QD1 353 PHE QE 3.510 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=5103,5104,5105, igr2=5469,5473, / # # 332 LEU HA 332 LEU QD1 3.910 &rst ixpk= 0, nxpk= 0, iat=5096, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=5103,5104,5105, / # # 332 LEU QB 332 LEU QD1 2.780 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=5098,5099, igr2=5103,5104,5105, / # # 285 THR H 286 LYS HG3 5.010 &rst ixpk= 0, nxpk= 0, iat=4320,4342, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 286 LYS H 286 LYS HG3 3.770 &rst ixpk= 0, nxpk= 0, iat=4334,4342, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 286 LYS HA 286 LYS HG3 3.350 &rst ixpk= 0, nxpk= 0, iat=4336,4342, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, / # # 282 GLU HA 286 LYS HG3 4.840 &rst ixpk= 0, nxpk= 0, iat=4278,4342, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 285 THR H 286 LYS HG2 5.300 &rst ixpk= 0, nxpk= 0, iat=4320,4341, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 286 LYS HA 286 LYS HG2 3.240 &rst ixpk= 0, nxpk= 0, iat=4336,4341, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, / # # 293 LYS HA 293 LYS HG3 3.950 &rst ixpk= 0, nxpk= 0, iat=4457,4463, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 293 LYS HG2 297 CYX HB3 4.400 &rst ixpk= 0, nxpk= 0, iat=4462,4535, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 293 LYS HA 293 LYS HG2 3.950 &rst ixpk= 0, nxpk= 0, iat=4457,4462, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 366 LYS HG3 366 LYS QE 3.900 &rst ixpk= 0, nxpk= 0, iat=5687, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=5692,5693, / # # 291 LEU QD1 292 ILE HA 4.840 &rst ixpk= 0, nxpk= 0, iat= -1,4438, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1=4426,4427,4428, / # # 291 LEU QD1 312 GLY HA3 5.090 &rst ixpk= 0, nxpk= 0, iat= -1,4771, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=4426,4427,4428, / # # 291 LEU QD2 302 TYR QD 3.900 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1=4430,4431,4432, igr2=4613,4622, / # # 291 LEU HA 291 LEU QD2 3.220 &rst ixpk= 0, nxpk= 0, iat=4419, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=4430,4431,4432, / # # 291 LEU QD2 312 GLY HA2 4.290 &rst ixpk= 0, nxpk= 0, iat= -1,4770, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=4430,4431,4432, / # # 291 LEU QD2 312 GLY HA3 4.480 &rst ixpk= 0, nxpk= 0, iat= -1,4771, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=4430,4431,4432, / # # 291 LEU QD2 307 ILE HB 3.620 &rst ixpk= 0, nxpk= 0, iat= -1,4682, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1=4430,4431,4432, / # # 291 LEU QD2 316 VAL H 5.200 &rst ixpk= 0, nxpk= 0, iat= -1,4828, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=4430,4431,4432, / # # 291 LEU QD2 312 GLY H 5.440 &rst ixpk= 0, nxpk= 0, iat= -1,4768, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=4430,4431,4432, / # # 274 LYS HA 278 LYS HG3 4.290 &rst ixpk= 0, nxpk= 0, iat=4133,4206, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 278 LYS HG2 279 ILE H 5.300 &rst ixpk= 0, nxpk= 0, iat=4205,4220, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 278 LYS HG3 279 ILE H 5.500 &rst ixpk= 0, nxpk= 0, iat=4206,4220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 275 PRO HD3 278 LYS HG3 4.060 &rst ixpk= 0, nxpk= 0, iat=4155,4206, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 278 LYS HG3 278 LYS QE 3.070 &rst ixpk= 0, nxpk= 0, iat=4206, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2=4211,4212, / # # 278 LYS HA 278 LYS HG2 3.460 &rst ixpk= 0, nxpk= 0, iat=4200,4205, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, / # # 275 PRO HD2 278 LYS HG3 3.850 &rst ixpk= 0, nxpk= 0, iat=4154,4206, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, / # # 366 LYS HG2 367 TYR HA 5.210 &rst ixpk= 0, nxpk= 0, iat=5686,5703, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, / # # 366 LYS HG3 367 TYR HA 5.500 &rst ixpk= 0, nxpk= 0, iat=5687,5703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 366 LYS HA 366 LYS HG3 3.340 &rst ixpk= 0, nxpk= 0, iat=5681,5687, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, / # # 291 LEU QD1 302 TYR QD 4.760 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1=4426,4427,4428, igr2=4613,4622, / # # 291 LEU HA 291 LEU QD1 3.720 &rst ixpk= 0, nxpk= 0, iat=4419, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=4426,4427,4428, / # # 291 LEU QD2 295 ILE H 4.580 &rst ixpk= 0, nxpk= 0, iat= -1,4492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=4430,4431,4432, / # # 291 LEU QD2 295 ILE HA 5.060 &rst ixpk= 0, nxpk= 0, iat= -1,4494, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=4430,4431,4432, / # # 291 LEU QD2 307 ILE H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4678, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4430,4431,4432, / # # 321 MET H 364 VAL QG2 4.690 &rst ixpk= 0, nxpk= 0, iat=4922, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=5651,5652,5653, / # # 364 VAL QG2 365 LYS H 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,5657, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=5651,5652,5653, / # # 364 VAL H 364 VAL QG2 3.800 &rst ixpk= 0, nxpk= 0, iat=5641, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=5651,5652,5653, / # # 364 VAL QG2 367 TYR QD 4.840 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1=5651,5652,5653, igr2=5709,5718, / # # 364 VAL QG2 366 LYS H 5.210 &rst ixpk= 0, nxpk= 0, iat= -1,5679, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1=5651,5652,5653, / # # 361 TRP HZ3 364 VAL QG2 4.140 &rst ixpk= 0, nxpk= 0, iat=5607, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=5651,5652,5653, / # # 321 MET HA 364 VAL QG2 4.630 &rst ixpk= 0, nxpk= 0, iat=4924, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=5651,5652,5653, / # # 322 LYS HE2 364 VAL QG2 6.390 &rst ixpk= 0, nxpk= 0, iat=4952, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, igr2=5651,5652,5653, / # # 321 MET HB3 364 VAL QG2 4.640 &rst ixpk= 0, nxpk= 0, iat=4927, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=5651,5652,5653, / # # 279 ILE H 334 LEU QD2 5.500 &rst ixpk= 0, nxpk= 0, iat=4220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5141,5142,5143, / # # 334 LEU H 334 LEU QD2 3.800 &rst ixpk= 0, nxpk= 0, iat=5128, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=5141,5142,5143, / # # 334 LEU QD2 335 LEU H 4.790 &rst ixpk= 0, nxpk= 0, iat= -1,5147, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=5141,5142,5143, / # # 333 GLU H 334 LEU QD2 5.480 &rst ixpk= 0, nxpk= 0, iat=5113, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=5141,5142,5143, / # # 276 VAL HA 334 LEU QD2 4.050 &rst ixpk= 0, nxpk= 0, iat=4169, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=5141,5142,5143, / # # 334 LEU HB2 334 LEU QD2 3.210 &rst ixpk= 0, nxpk= 0, iat=5132, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=5141,5142,5143, / # # 334 LEU HB3 334 LEU QD2 3.190 &rst ixpk= 0, nxpk= 0, iat=5133, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2=5141,5142,5143, / # # 365 LYS H 365 LYS HG3 3.960 &rst ixpk= 0, nxpk= 0, iat=5657,5665, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, / # # 362 SER HA 365 LYS HG3 4.460 &rst ixpk= 0, nxpk= 0, iat=5616,5665, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 365 LYS HG3 365 LYS HE2 4.220 &rst ixpk= 0, nxpk= 0, iat=5665,5670, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, / # # 365 LYS H 365 LYS HG2 3.960 &rst ixpk= 0, nxpk= 0, iat=5657,5664, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, / # # 365 LYS HG2 366 LYS H 4.320 &rst ixpk= 0, nxpk= 0, iat=5664,5679, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 365 LYS HG2 366 LYS QB 5.390 &rst ixpk= 0, nxpk= 0, iat=5664, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=5683,5684, / # # 314 TRP HE1 318 LEU QD1 4.390 &rst ixpk= 0, nxpk= 0, iat=4797, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=4872,4873,4874, / # # 318 LEU H 318 LEU QD1 3.870 &rst ixpk= 0, nxpk= 0, iat=4863, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=4872,4873,4874, / # # 318 LEU QD1 319 TYR H 4.890 &rst ixpk= 0, nxpk= 0, iat= -1,4882, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=4872,4873,4874, / # # 314 TRP HE3 318 LEU QD1 5.060 &rst ixpk= 0, nxpk= 0, iat=4806, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=4872,4873,4874, / # # 315 HIET HA 318 LEU QD1 4.610 &rst ixpk= 0, nxpk= 0, iat=4813, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=4872,4873,4874, / # # 318 LEU HB2 318 LEU QD1 3.510 &rst ixpk= 0, nxpk= 0, iat=4867, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2=4872,4873,4874, / # # 318 LEU HB3 318 LEU QD1 3.590 &rst ixpk= 0, nxpk= 0, iat=4868, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=4872,4873,4874, / # # 332 LEU H 332 LEU QD2 4.200 &rst ixpk= 0, nxpk= 0, iat=5094, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2=5107,5108,5109, / # # 332 LEU QD2 353 PHE HZ 3.760 &rst ixpk= 0, nxpk= 0, iat= -1,5471, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=5107,5108,5109, / # # 332 LEU QD2 353 PHE QE 3.510 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=5107,5108,5109, igr2=5469,5473, / # # 332 LEU QD2 353 PHE QD 3.850 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=5107,5108,5109, igr2=5467,5475, / # # 332 LEU QD2 342 LYS HA 4.460 &rst ixpk= 0, nxpk= 0, iat= -1,5261, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1=5107,5108,5109, / # # 332 LEU HA 332 LEU QD2 3.910 &rst ixpk= 0, nxpk= 0, iat=5096, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=5107,5108,5109, / # # 332 LEU QD2 353 PHE HB2 5.360 &rst ixpk= 0, nxpk= 0, iat= -1,5463, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1=5107,5108,5109, / # # 332 LEU QB 332 LEU QD2 2.780 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=5098,5099, igr2=5107,5108,5109, / # # 318 LEU H 318 LEU QD2 3.870 &rst ixpk= 0, nxpk= 0, iat=4863, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=4876,4877,4878, / # # 314 TRP HE3 318 LEU QD2 5.060 &rst ixpk= 0, nxpk= 0, iat=4806, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2=4876,4877,4878, / # # 315 HIET HA 318 LEU QD2 4.900 &rst ixpk= 0, nxpk= 0, iat=4813, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2=4876,4877,4878, / # # 318 LEU HA 318 LEU QD2 3.930 &rst ixpk= 0, nxpk= 0, iat=4865, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=4876,4877,4878, / # # 316 VAL HA 316 VAL QG2 3.010 &rst ixpk= 0, nxpk= 0, iat=4830, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=4838,4839,4840, / # # 357 LEU H 357 LEU QD2 3.720 &rst ixpk= 0, nxpk= 0, iat=5528, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=5541,5542,5543, / # # 353 PHE QE 357 LEU QD2 3.660 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1=5469,5473, igr2=5541,5542,5543, / # # 328 PRO HD3 357 LEU QD2 5.350 &rst ixpk= 0, nxpk= 0, iat=5029, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr2=5541,5542,5543, / # # 328 PRO HA 357 LEU QD2 3.760 &rst ixpk= 0, nxpk= 0, iat=5037, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2=5541,5542,5543, / # # 357 LEU HA 357 LEU QD2 3.960 &rst ixpk= 0, nxpk= 0, iat=5530, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=5541,5542,5543, / # # 328 PRO HB3 357 LEU QD2 3.480 &rst ixpk= 0, nxpk= 0, iat=5035, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2=5541,5542,5543, / # # 357 LEU HB2 357 LEU QD2 3.340 &rst ixpk= 0, nxpk= 0, iat=5532, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=5541,5542,5543, / # # 268 VAL H 268 VAL QG2 3.900 &rst ixpk= 0, nxpk= 0, iat=4039, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=4049,4050,4051, / # # 268 VAL QG2 269 LYS H 4.200 &rst ixpk= 0, nxpk= 0, iat= -1,4055, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=4049,4050,4051, / # # 268 VAL QG2 271 ASP H 5.420 &rst ixpk= 0, nxpk= 0, iat= -1,4101, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=4049,4050,4051, / # # 263 LEU QQD 264 ARG H 3.980 &rst ixpk= 0, nxpk= 0, iat=3946,3959, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, / # # 263 LEU QQD 361 TRP H 4.460 &rst ixpk= 0, nxpk= 0, iat=3946,5590, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, / # # 263 LEU QQD 267 LEU H 4.130 &rst ixpk= 0, nxpk= 0, iat=3946,4020, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, / # # 263 LEU QQD 358 SER H 4.310 &rst ixpk= 0, nxpk= 0, iat=3946,5547, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, / # # 263 LEU QQD 265 LYS H 5.120 &rst ixpk= 0, nxpk= 0, iat=3946,3983, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, / # # 263 LEU HA 263 LEU QQD 2.800 &rst ixpk= 0, nxpk= 0, iat=3942,3946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 263 LEU QQD 358 SER HA 2.990 &rst ixpk= 0, nxpk= 0, iat=3946,5549, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 263 LEU QQD 361 TRP HB2 3.670 &rst ixpk= 0, nxpk= 0, iat=3946,5594, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, / # # 263 LEU QQD 267 LEU QD1 3.100 &rst ixpk= 0, nxpk= 0, iat=3946, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=4029,4030,4031, / # # 344 ASN H 349 THR QG2 3.370 &rst ixpk= 0, nxpk= 0, iat=5296, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=5391,5392,5393, / # # 342 LYS H 349 THR QG2 4.220 &rst ixpk= 0, nxpk= 0, iat=5259, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2=5391,5392,5393, / # # 349 THR QG2 352 TYR HD2 4.790 &rst ixpk= 0, nxpk= 0, iat= -1,5455, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=5391,5392,5393, / # # 341 ALA HA 349 THR QG2 3.690 &rst ixpk= 0, nxpk= 0, iat=5251, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=5391,5392,5393, / # # 342 LYS HA 349 THR QG2 3.030 &rst ixpk= 0, nxpk= 0, iat=5261, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=5391,5392,5393, / # # 344 ASN HB3 349 THR QG2 3.690 &rst ixpk= 0, nxpk= 0, iat=5301, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=5391,5392,5393, / # # 342 LYS HB2 349 THR QG2 4.790 &rst ixpk= 0, nxpk= 0, iat=5263, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2=5391,5392,5393, / # # 363 VAL H 363 VAL QG2 3.790 &rst ixpk= 0, nxpk= 0, iat=5625, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2=5635,5636,5637, / # # 363 VAL HA 363 VAL QG2 2.840 &rst ixpk= 0, nxpk= 0, iat=5627, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2=5635,5636,5637, / # # 276 VAL QG1 277 GLU H 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,4183, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=4173,4174,4175, / # # 276 VAL QG1 334 LEU H 4.830 &rst ixpk= 0, nxpk= 0, iat= -1,5128, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=4173,4174,4175, / # # 276 VAL QG1 333 GLU H 5.220 &rst ixpk= 0, nxpk= 0, iat= -1,5113, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=4173,4174,4175, / # # 276 VAL HA 276 VAL QG1 2.780 &rst ixpk= 0, nxpk= 0, iat=4169, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=4173,4174,4175, / # # 276 VAL QG1 333 GLU HB2 3.360 &rst ixpk= 0, nxpk= 0, iat= -1,5117, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=4173,4174,4175, / # # 322 LYS H 326 THR QG2 5.460 &rst ixpk= 0, nxpk= 0, iat=4939, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=5007,5008,5009, / # # 326 THR QG2 361 TRP HZ2 5.470 &rst ixpk= 0, nxpk= 0, iat= -1,5603, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1=5007,5008,5009, / # # 292 ILE QG2 316 VAL QG1 4.180 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1=4442,4443,4444, igr2=4834,4835,4836, / # # 322 LYS HA 368 LEU QD1 4.100 &rst ixpk= 0, nxpk= 0, iat=4941, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=5731,5732,5733, / # # 365 LYS HA 368 LEU QD1 3.780 &rst ixpk= 0, nxpk= 0, iat=5659, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=5731,5732,5733, / # # 321 MET H 326 THR QG2 4.480 &rst ixpk= 0, nxpk= 0, iat=4922, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=5007,5008,5009, / # # 325 VAL H 326 THR QG2 4.690 &rst ixpk= 0, nxpk= 0, iat=4985, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=5007,5008,5009, / # # 271 ASP HA 326 THR QG2 4.190 &rst ixpk= 0, nxpk= 0, iat=4103, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=5007,5008,5009, / # # 325 VAL HA 326 THR QG2 5.020 &rst ixpk= 0, nxpk= 0, iat=4987, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=5007,5008,5009, / # # 326 THR HA 326 THR QG2 2.980 &rst ixpk= 0, nxpk= 0, iat=5003, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=5007,5008,5009, / # # 321 MET HA 326 THR QG2 2.860 &rst ixpk= 0, nxpk= 0, iat=4924, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2=5007,5008,5009, / # # 321 MET HG2 326 THR QG2 3.360 &rst ixpk= 0, nxpk= 0, iat=4929, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=5007,5008,5009, / # # 270 ARG HB3 326 THR QG2 3.130 &rst ixpk= 0, nxpk= 0, iat=4082, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2=5007,5008,5009, / # # 316 VAL QG1 317 ILE H 4.200 &rst ixpk= 0, nxpk= 0, iat= -1,4844, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=4834,4835,4836, / # # 313 ASP HA 316 VAL QG1 4.270 &rst ixpk= 0, nxpk= 0, iat=4777, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=4834,4835,4836, / # # 316 VAL HA 316 VAL QG1 3.010 &rst ixpk= 0, nxpk= 0, iat=4830, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=4834,4835,4836, / # # 320 LEU QD2 321 MET H 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,4922, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=4916,4917,4918, / # # 320 LEU H 320 LEU QD2 3.780 &rst ixpk= 0, nxpk= 0, iat=4903, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2=4916,4917,4918, / # # 320 LEU HA 320 LEU QD2 3.970 &rst ixpk= 0, nxpk= 0, iat=4905, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=4916,4917,4918, / # # 320 LEU QD2 331 ILE HA 4.780 &rst ixpk= 0, nxpk= 0, iat= -1,5077, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=4916,4917,4918, / # # 319 TYR QB 320 LEU QD2 5.100 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1=4886,4887, igr2=4916,4917,4918, / # # 354 VAL H 354 VAL QG2 3.830 &rst ixpk= 0, nxpk= 0, iat=5479, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=5489,5490,5491, / # # 354 VAL QG2 355 ILE H 4.110 &rst ixpk= 0, nxpk= 0, iat= -1,5495, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=5489,5490,5491, / # # 301 THR QG2 302 TYR H 3.810 &rst ixpk= 0, nxpk= 0, iat= -1,4605, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=4597,4598,4599, / # # 301 THR QG2 303 ALA H 4.500 &rst ixpk= 0, nxpk= 0, iat= -1,4626, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=4597,4598,4599, / # # 301 THR QG2 337 ARG H 3.530 &rst ixpk= 0, nxpk= 0, iat= -1,5180, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=4597,4598,4599, / # # 301 THR H 301 THR QG2 3.210 &rst ixpk= 0, nxpk= 0, iat=4591, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=4597,4598,4599, / # # 301 THR QG2 336 PRO HB3 3.460 &rst ixpk= 0, nxpk= 0, iat= -1,5174, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=4597,4598,4599, / # # 295 ILE QD1 301 THR QG2 4.680 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1=4505,4506,4507, igr2=4597,4598,4599, / # # 304 ASP H 305 VAL QG2 4.000 &rst ixpk= 0, nxpk= 0, iat=4636, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=4658,4659,4660, / # # 305 VAL H 305 VAL QG2 3.000 &rst ixpk= 0, nxpk= 0, iat=4648, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2=4658,4659,4660, / # # 302 TYR HA 305 VAL QG2 3.560 &rst ixpk= 0, nxpk= 0, iat=4607, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=4658,4659,4660, / # # 305 VAL HA 305 VAL QG2 3.210 &rst ixpk= 0, nxpk= 0, iat=4650, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=4658,4659,4660, / # # 321 MET H 364 VAL QG1 4.690 &rst ixpk= 0, nxpk= 0, iat=4922, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2=5647,5648,5649, / # # 364 VAL QG1 365 LYS H 3.580 &rst ixpk= 0, nxpk= 0, iat= -1,5657, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1=5647,5648,5649, / # # 361 TRP HE3 364 VAL QG1 3.380 &rst ixpk= 0, nxpk= 0, iat=5609, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=5647,5648,5649, / # # 364 VAL QG1 366 LYS H 5.210 &rst ixpk= 0, nxpk= 0, iat= -1,5679, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1=5647,5648,5649, / # # 361 TRP HZ3 364 VAL QG1 4.140 &rst ixpk= 0, nxpk= 0, iat=5607, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=5647,5648,5649, / # # 321 MET HA 364 VAL QG1 4.630 &rst ixpk= 0, nxpk= 0, iat=4924, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=5647,5648,5649, / # # 364 VAL HA 364 VAL QG1 3.660 &rst ixpk= 0, nxpk= 0, iat=5643, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=5647,5648,5649, / # # 321 MET HB3 364 VAL QG1 4.640 &rst ixpk= 0, nxpk= 0, iat=4927, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=5647,5648,5649, / # # 267 LEU QD2 364 VAL QG1 5.350 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, igr1=4033,4034,4035, igr2=5647,5648,5649, / # # 284 CYX HA 285 THR QG2 5.190 &rst ixpk= 0, nxpk= 0, iat=4312, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr2=4326,4327,4328, / # # 363 VAL QG1 364 VAL H 3.930 &rst ixpk= 0, nxpk= 0, iat= -1,5641, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=5631,5632,5633, / # # 284 CYX H 285 THR QG2 4.040 &rst ixpk= 0, nxpk= 0, iat=4310, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2=4326,4327,4328, / # # 285 THR H 285 THR QG2 3.050 &rst ixpk= 0, nxpk= 0, iat=4320, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2=4326,4327,4328, / # # 281 GLU H 285 THR QG2 5.600 &rst ixpk= 0, nxpk= 0, iat=4261, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr2=4326,4327,4328, / # # 285 THR QG2 286 LYS H 3.680 &rst ixpk= 0, nxpk= 0, iat= -1,4334, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=4326,4327,4328, / # # 278 LYS QE 285 THR QG2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=4211,4212, igr2=4326,4327,4328, / # # 317 ILE H 356 THR QG2 5.020 &rst ixpk= 0, nxpk= 0, iat=4844, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=5520,5521,5522, / # # 356 THR QG2 357 LEU H 3.660 &rst ixpk= 0, nxpk= 0, iat= -1,5528, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=5520,5521,5522, / # # 318 LEU H 356 THR QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4863, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5520,5521,5522, / # # 314 TRP H 356 THR QG2 3.910 &rst ixpk= 0, nxpk= 0, iat=4787, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=5520,5521,5522, / # # 356 THR H 356 THR QG2 3.890 &rst ixpk= 0, nxpk= 0, iat=5514, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=5520,5521,5522, / # # 353 PHE QD 356 THR QG2 4.840 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1=5467,5475, igr2=5520,5521,5522, / # # 314 TRP HE3 356 THR QG2 3.010 &rst ixpk= 0, nxpk= 0, iat=4806, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2=5520,5521,5522, / # # 356 THR HA 356 THR QG2 2.950 &rst ixpk= 0, nxpk= 0, iat=5516, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr2=5520,5521,5522, / # # 356 THR QG2 357 LEU HA 3.820 &rst ixpk= 0, nxpk= 0, iat= -1,5530, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1=5520,5521,5522, / # # 356 THR QG2 360 ALA HA 4.790 &rst ixpk= 0, nxpk= 0, iat= -1,5582, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=5520,5521,5522, / # # 313 ASP HB3 356 THR QG2 4.400 &rst ixpk= 0, nxpk= 0, iat=4780, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=5520,5521,5522, / # # 313 ASP HB2 356 THR QG2 4.400 &rst ixpk= 0, nxpk= 0, iat=4779, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=5520,5521,5522, / # # 317 ILE QD1 356 THR QG2 2.680 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=4857,4858,4859, igr2=5520,5521,5522, / # # 335 LEU H 335 LEU QD1 4.290 &rst ixpk= 0, nxpk= 0, iat=5147, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=5156,5157,5158, / # # 276 VAL QG2 277 GLU H 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,4183, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=4177,4178,4179, / # # 268 VAL H 268 VAL QG1 3.900 &rst ixpk= 0, nxpk= 0, iat=4039, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=4045,4046,4047, / # # 276 VAL QG2 279 ILE H 5.410 &rst ixpk= 0, nxpk= 0, iat= -1,4220, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=4177,4178,4179, / # # 276 VAL QG2 334 LEU H 4.830 &rst ixpk= 0, nxpk= 0, iat= -1,5128, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=4177,4178,4179, / # # 268 VAL QG1 271 ASP H 5.420 &rst ixpk= 0, nxpk= 0, iat= -1,4101, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1=4045,4046,4047, / # # 276 VAL HA 276 VAL QG2 2.780 &rst ixpk= 0, nxpk= 0, iat=4169, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=4177,4178,4179, / # # 276 VAL QG2 333 GLU HG3 3.500 &rst ixpk= 0, nxpk= 0, iat= -1,5121, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=4177,4178,4179, / # # 314 TRP HZ2 363 VAL QG1 3.740 &rst ixpk= 0, nxpk= 0, iat=4800, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=5631,5632,5633, / # # 318 LEU QD1 363 VAL QG1 3.740 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=4872,4873,4874, igr2=5631,5632,5633, / # # 272 SER H 325 VAL QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=4113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4995,4996,4997, / # # 325 VAL H 325 VAL QG2 3.930 &rst ixpk= 0, nxpk= 0, iat=4985, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=4995,4996,4997, / # # 325 VAL QG2 326 THR H 4.340 &rst ixpk= 0, nxpk= 0, iat= -1,5001, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=4995,4996,4997, / # # 320 LEU HA 325 VAL QG2 4.610 &rst ixpk= 0, nxpk= 0, iat=4905, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=4995,4996,4997, / # # 320 LEU HB3 325 VAL QG2 3.520 &rst ixpk= 0, nxpk= 0, iat=4908, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=4995,4996,4997, / # # 354 VAL H 354 VAL QG1 3.830 &rst ixpk= 0, nxpk= 0, iat=5479, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=5485,5486,5487, / # # 354 VAL QG1 355 ILE HA 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5497, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5485,5486,5487, / # # 351 LYS HA 354 VAL QG1 4.740 &rst ixpk= 0, nxpk= 0, iat=5418, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2=5485,5486,5487, / # # 304 ASP H 305 VAL QG1 4.000 &rst ixpk= 0, nxpk= 0, iat=4636, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2=4654,4655,4656, / # # 305 VAL H 305 VAL QG1 3.000 &rst ixpk= 0, nxpk= 0, iat=4648, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2=4654,4655,4656, / # # 302 TYR HA 305 VAL QG1 3.560 &rst ixpk= 0, nxpk= 0, iat=4607, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=4654,4655,4656, / # # 305 VAL HA 305 VAL QG1 3.210 &rst ixpk= 0, nxpk= 0, iat=4650, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2=4654,4655,4656, / # # 295 ILE HG12 305 VAL QG1 4.290 &rst ixpk= 0, nxpk= 0, iat=4502, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2=4654,4655,4656, / # # 305 VAL QG1 307 ILE QG2 3.860 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=4654,4655,4656, igr2=4684,4685,4686, / # # 295 ILE QD1 305 VAL QG1 2.920 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1=4505,4506,4507, igr2=4654,4655,4656, / # # 267 LEU QD2 326 THR HA 4.320 &rst ixpk= 0, nxpk= 0, iat= -1,5003, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=4033,4034,4035, / # # 267 LEU QD2 328 PRO HD3 4.780 &rst ixpk= 0, nxpk= 0, iat= -1,5029, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=4033,4034,4035, / # # 369 GLU H 370 ALA QB 4.580 &rst ixpk= 0, nxpk= 0, iat=5741, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=5760,5761,5762, / # # 370 ALA H 370 ALA QB 2.680 &rst ixpk= 0, nxpk= 0, iat=5756, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, igr2=5760,5761,5762, / # # 367 TYR HA 370 ALA QB 3.740 &rst ixpk= 0, nxpk= 0, iat=5703, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=5760,5761,5762, / # # 366 LYS HA 370 ALA QB 4.300 &rst ixpk= 0, nxpk= 0, iat=5681, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=5760,5761,5762, / # # 272 SER H 325 VAL QG1 5.500 &rst ixpk= 0, nxpk= 0, iat=4113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4991,4992,4993, / # # 320 LEU H 325 VAL QG1 5.500 &rst ixpk= 0, nxpk= 0, iat=4903, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4991,4992,4993, / # # 325 VAL QG1 326 THR H 4.340 &rst ixpk= 0, nxpk= 0, iat= -1,5001, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=4991,4992,4993, / # # 267 LEU QD2 269 LYS H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4055, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4033,4034,4035, / # # 267 LEU QD2 270 ARG H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4077, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4033,4034,4035, / # # 341 ALA QB 353 PHE H 4.070 &rst ixpk= 0, nxpk= 0, iat= -1,5459, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=5253,5254,5255, / # # 341 ALA QB 353 PHE HA 3.650 &rst ixpk= 0, nxpk= 0, iat= -1,5461, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=5253,5254,5255, / # # 332 LEU HA 341 ALA QB 5.180 &rst ixpk= 0, nxpk= 0, iat=5096, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr2=5253,5254,5255, / # # 341 ALA QB 353 PHE HB2 3.620 &rst ixpk= 0, nxpk= 0, iat= -1,5463, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1=5253,5254,5255, / # # 341 ALA QB 352 TYR HB3 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5443, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5253,5254,5255, / # # 341 ALA QB 342 LYS HB2 5.200 &rst ixpk= 0, nxpk= 0, iat= -1,5263, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=5253,5254,5255, / # # 332 LEU QB 341 ALA QB 5.120 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1=5098,5099, igr2=5253,5254,5255, / # # 321 MET QE 361 TRP H 3.530 &rst ixpk= 0, nxpk= 0, iat= -1,5590, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=4933,4934,4935, / # # 321 MET QE 361 TRP HE3 3.810 &rst ixpk= 0, nxpk= 0, iat= -1,5609, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=4933,4934,4935, / # # 321 MET QE 326 THR HA 3.610 &rst ixpk= 0, nxpk= 0, iat= -1,5003, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1=4933,4934,4935, / # # 321 MET QE 326 THR HB 3.780 &rst ixpk= 0, nxpk= 0, iat= -1,5005, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr1=4933,4934,4935, / # # 321 MET QE 357 LEU HA 2.850 &rst ixpk= 0, nxpk= 0, iat= -1,5530, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr1=4933,4934,4935, / # # 321 MET QE 361 TRP HB2 2.820 &rst ixpk= 0, nxpk= 0, iat= -1,5594, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, igr1=4933,4934,4935, / # # 321 MET HG3 321 MET QE 2.850 &rst ixpk= 0, nxpk= 0, iat=4930, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=4933,4934,4935, / # # 321 MET HG2 321 MET QE 2.800 &rst ixpk= 0, nxpk= 0, iat=4929, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=4933,4934,4935, / # # 267 LEU HB3 321 MET QE 3.970 &rst ixpk= 0, nxpk= 0, iat=4025, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2=4933,4934,4935, / # # 321 MET QE 357 LEU HG 4.200 &rst ixpk= 0, nxpk= 0, iat= -1,5535, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=4933,4934,4935, / # # 321 MET QE 357 LEU HB3 2.780 &rst ixpk= 0, nxpk= 0, iat= -1,5533, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr1=4933,4934,4935, / # # 317 ILE QG2 321 MET QE 2.550 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr1=4850,4851,4852, igr2=4933,4934,4935, / # # 321 MET QE 331 ILE QD1 2.770 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=4933,4934,4935, igr2=5088,5089,5090, / # # 267 LEU QD2 321 MET QE 2.670 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr1=4033,4034,4035, igr2=4933,4934,4935, / # # 302 TYR H 303 ALA QB 4.520 &rst ixpk= 0, nxpk= 0, iat=4605, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=4630,4631,4632, / # # 303 ALA H 303 ALA QB 2.560 &rst ixpk= 0, nxpk= 0, iat=4626, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, igr2=4630,4631,4632, / # # 301 THR H 303 ALA QB 5.310 &rst ixpk= 0, nxpk= 0, iat=4591, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr2=4630,4631,4632, / # # 303 ALA QB 306 ASN H 4.850 &rst ixpk= 0, nxpk= 0, iat= -1,4664, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1=4630,4631,4632, / # # 303 ALA QB 304 ASP H 2.870 &rst ixpk= 0, nxpk= 0, iat= -1,4636, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr1=4630,4631,4632, / # # 303 ALA QB 305 VAL H 4.700 &rst ixpk= 0, nxpk= 0, iat= -1,4648, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=4630,4631,4632, / # # 302 TYR QD 303 ALA QB 5.410 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, igr1=4613,4622, igr2=4630,4631,4632, / # # 301 THR HB 303 ALA QB 3.690 &rst ixpk= 0, nxpk= 0, iat=4595, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=4630,4631,4632, / # # 302 TYR HA 303 ALA QB 5.250 &rst ixpk= 0, nxpk= 0, iat=4607, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=4630,4631,4632, / # # 303 ALA QB 304 ASP HA 3.910 &rst ixpk= 0, nxpk= 0, iat= -1,4638, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1=4630,4631,4632, / # # 302 TYR HB2 303 ALA QB 4.230 &rst ixpk= 0, nxpk= 0, iat=4609, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=4630,4631,4632, / # # 279 ILE H 279 ILE QG2 3.900 &rst ixpk= 0, nxpk= 0, iat=4220, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=4226,4227,4228, / # # 279 ILE QG2 281 GLU H 5.120 &rst ixpk= 0, nxpk= 0, iat= -1,4261, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1=4226,4227,4228, / # # 279 ILE QG2 320 LEU HA 4.640 &rst ixpk= 0, nxpk= 0, iat= -1,4905, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=4226,4227,4228, / # # 279 ILE QG2 280 LYS HE3 5.450 &rst ixpk= 0, nxpk= 0, iat= -1,4253, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=4226,4227,4228, / # # 279 ILE QG2 279 ILE HG13 3.190 &rst ixpk= 0, nxpk= 0, iat= -1,4231, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr1=4226,4227,4228, / # # 279 ILE QG2 280 LYS H 3.270 &rst ixpk= 0, nxpk= 0, iat= -1,4239, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=4226,4227,4228, / # # 279 ILE HA 279 ILE QG2 2.660 &rst ixpk= 0, nxpk= 0, iat=4222, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2=4226,4227,4228, / # # 279 ILE QG2 334 LEU HG 4.100 &rst ixpk= 0, nxpk= 0, iat= -1,5135, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1=4226,4227,4228, / # # 331 ILE QG2 332 LEU H 3.530 &rst ixpk= 0, nxpk= 0, iat= -1,5094, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=5081,5082,5083, / # # 331 ILE QG2 353 PHE HZ 3.340 &rst ixpk= 0, nxpk= 0, iat= -1,5471, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1=5081,5082,5083, / # # 331 ILE QG2 353 PHE QE 3.140 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1=5081,5082,5083, igr2=5469,5473, / # # 331 ILE QG2 332 LEU HA 3.790 &rst ixpk= 0, nxpk= 0, iat= -1,5096, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1=5081,5082,5083, / # # 331 ILE HA 331 ILE QG2 3.070 &rst ixpk= 0, nxpk= 0, iat=5077, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=5081,5082,5083, / # # 317 ILE HG13 331 ILE QG2 3.320 &rst ixpk= 0, nxpk= 0, iat=4855, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2=5081,5082,5083, / # # 331 ILE QG2 332 LEU QB 4.740 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=5081,5082,5083, igr2=5098,5099, / # # 331 ILE QG2 331 ILE HG13 3.370 &rst ixpk= 0, nxpk= 0, iat= -1,5086, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr1=5081,5082,5083, / # # 331 ILE QG2 331 ILE QD1 2.440 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr1=5081,5082,5083, igr2=5088,5089,5090, / # # 331 ILE QG2 357 LEU QD2 4.820 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, igr1=5081,5082,5083, igr2=5541,5542,5543, / # # 318 LEU H 360 ALA QB 4.410 &rst ixpk= 0, nxpk= 0, iat=4863, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=5584,5585,5586, / # # 360 ALA QB 362 SER H 4.350 &rst ixpk= 0, nxpk= 0, iat= -1,5614, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=5584,5585,5586, / # # 314 TRP HE3 360 ALA QB 3.440 &rst ixpk= 0, nxpk= 0, iat=4806, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2=5584,5585,5586, / # # 357 LEU HA 360 ALA QB 3.290 &rst ixpk= 0, nxpk= 0, iat=5530, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2=5584,5585,5586, / # # 318 LEU QD1 360 ALA QB 4.070 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1=4872,4873,4874, igr2=5584,5585,5586, / # # 314 TRP HZ2 360 ALA QB 5.250 &rst ixpk= 0, nxpk= 0, iat=4800, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=5584,5585,5586, / # # 295 ILE QG2 302 TYR H 5.040 &rst ixpk= 0, nxpk= 0, iat= -1,4605, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=4498,4499,4500, / # # 295 ILE QG2 296 ILE H 3.310 &rst ixpk= 0, nxpk= 0, iat= -1,4511, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1=4498,4499,4500, / # # 295 ILE H 295 ILE QG2 4.010 &rst ixpk= 0, nxpk= 0, iat=4492, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=4498,4499,4500, / # # 295 ILE QG2 297 CYX H 5.250 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=4498,4499,4500, / # # 295 ILE QG2 335 LEU H 5.160 &rst ixpk= 0, nxpk= 0, iat= -1,5147, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr1=4498,4499,4500, / # # 295 ILE QG2 299 ASN HA 4.670 &rst ixpk= 0, nxpk= 0, iat= -1,4557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=4498,4499,4500, / # # 295 ILE QG2 336 PRO HA 4.930 &rst ixpk= 0, nxpk= 0, iat= -1,5176, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1=4498,4499,4500, / # # 295 ILE QG2 335 LEU HA 3.450 &rst ixpk= 0, nxpk= 0, iat= -1,5149, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=4498,4499,4500, / # # 295 ILE QG2 301 THR HA 4.670 &rst ixpk= 0, nxpk= 0, iat= -1,4593, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=4498,4499,4500, / # # 295 ILE QG2 296 ILE HA 3.430 &rst ixpk= 0, nxpk= 0, iat= -1,4513, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1=4498,4499,4500, / # # 295 ILE HA 295 ILE QG2 2.960 &rst ixpk= 0, nxpk= 0, iat=4494, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=4498,4499,4500, / # # 295 ILE QG2 336 PRO HD3 3.720 &rst ixpk= 0, nxpk= 0, iat= -1,5168, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=4498,4499,4500, / # # 292 ILE HA 295 ILE QG2 4.170 &rst ixpk= 0, nxpk= 0, iat=4438, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=4498,4499,4500, / # # 295 ILE QG2 336 PRO HD2 3.720 &rst ixpk= 0, nxpk= 0, iat= -1,5167, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=4498,4499,4500, / # # 292 ILE QD1 295 ILE QG2 4.290 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1=4449,4450,4451, igr2=4498,4499,4500, / # # 295 ILE QG2 295 ILE QD1 2.680 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1=4498,4499,4500, igr2=4505,4506,4507, / # # 355 ILE QG2 356 THR H 3.790 &rst ixpk= 0, nxpk= 0, iat= -1,5514, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1=5501,5502,5503, / # # 355 ILE HA 355 ILE QG2 2.790 &rst ixpk= 0, nxpk= 0, iat=5497, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, igr2=5501,5502,5503, / # # 317 ILE H 317 ILE QG2 3.800 &rst ixpk= 0, nxpk= 0, iat=4844, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=4850,4851,4852, / # # 317 ILE QG2 357 LEU H 4.860 &rst ixpk= 0, nxpk= 0, iat= -1,5528, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4850,4851,4852, / # # 317 ILE QG2 361 TRP H 5.060 &rst ixpk= 0, nxpk= 0, iat= -1,5590, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=4850,4851,4852, / # # 317 ILE QG2 319 TYR H 5.220 &rst ixpk= 0, nxpk= 0, iat= -1,4882, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=4850,4851,4852, / # # 317 ILE QG2 353 PHE QE 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=4850,4851,4852, igr2=5469,5473, / # # 317 ILE QG2 328 PRO HA 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5037, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4850,4851,4852, / # # 317 ILE QG2 356 THR HB 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5518, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4850,4851,4852, / # # 314 TRP HA 317 ILE QG2 4.100 &rst ixpk= 0, nxpk= 0, iat=4789, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=4850,4851,4852, / # # 317 ILE QG2 357 LEU HA 3.450 &rst ixpk= 0, nxpk= 0, iat= -1,5530, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1=4850,4851,4852, / # # 317 ILE HA 317 ILE QG2 2.980 &rst ixpk= 0, nxpk= 0, iat=4846, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=4850,4851,4852, / # # 317 ILE QG2 321 MET HG3 3.350 &rst ixpk= 0, nxpk= 0, iat= -1,4930, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=4850,4851,4852, / # # 317 ILE QG2 317 ILE HG13 3.330 &rst ixpk= 0, nxpk= 0, iat= -1,4855, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=4850,4851,4852, / # # 317 ILE QG2 318 LEU HB2 4.720 &rst ixpk= 0, nxpk= 0, iat= -1,4867, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=4850,4851,4852, / # # 317 ILE QG2 360 ALA QB 2.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr1=4850,4851,4852, igr2=5584,5585,5586, / # # 317 ILE QG2 317 ILE HG12 2.620 &rst ixpk= 0, nxpk= 0, iat= -1,4854, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, igr1=4850,4851,4852, / # # 317 ILE QG2 318 LEU QD2 4.900 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=4850,4851,4852, igr2=4876,4877,4878, / # # 317 ILE QG2 318 LEU QD1 4.900 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=4850,4851,4852, igr2=4872,4873,4874, / # # 314 TRP HE3 317 ILE QG2 5.320 &rst ixpk= 0, nxpk= 0, iat=4806, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr2=4850,4851,4852, / # # 267 LEU QD2 317 ILE QG2 5.240 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06, igr1=4033,4034,4035, igr2=4850,4851,4852, / # # 292 ILE QG2 296 ILE H 3.970 &rst ixpk= 0, nxpk= 0, iat= -1,4511, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=4442,4443,4444, / # # 292 ILE QG2 295 ILE H 5.180 &rst ixpk= 0, nxpk= 0, iat= -1,4492, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=4442,4443,4444, / # # 292 ILE QG2 297 CYX H 4.360 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=4442,4443,4444, / # # 292 ILE QG2 319 TYR QD 3.980 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=4442,4443,4444, igr2=4890,4899, / # # 292 ILE QG2 319 TYR QE 3.380 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=4442,4443,4444, igr2=4892,4897, / # # 292 ILE QG2 296 ILE HA 4.760 &rst ixpk= 0, nxpk= 0, iat= -1,4513, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1=4442,4443,4444, / # # 289 PRO HD3 292 ILE QG2 4.440 &rst ixpk= 0, nxpk= 0, iat=4383, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2=4442,4443,4444, / # # 292 ILE QG2 316 VAL HA 4.550 &rst ixpk= 0, nxpk= 0, iat= -1,4830, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=4442,4443,4444, / # # 292 ILE QG2 293 LYS HA 3.970 &rst ixpk= 0, nxpk= 0, iat= -1,4457, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1=4442,4443,4444, / # # 292 ILE HA 292 ILE QG2 3.080 &rst ixpk= 0, nxpk= 0, iat=4438, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2=4442,4443,4444, / # # 292 ILE QG2 319 TYR QB 4.110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=4442,4443,4444, igr2=4886,4887, / # # 289 PRO HD2 292 ILE QG2 3.650 &rst ixpk= 0, nxpk= 0, iat=4382, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2=4442,4443,4444, / # # 292 ILE QG2 296 ILE HB 3.530 &rst ixpk= 0, nxpk= 0, iat= -1,4515, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=4442,4443,4444, / # # 292 ILE QG2 295 ILE HB 5.070 &rst ixpk= 0, nxpk= 0, iat= -1,4496, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=4442,4443,4444, / # # 292 ILE QG2 296 ILE QG1 2.900 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1=4442,4443,4444, igr2=4521,4522, / # # 292 ILE QG2 292 ILE QG1 3.250 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=4442,4443,4444, igr2=4446,4447, / # # 296 ILE H 296 ILE QG2 3.880 &rst ixpk= 0, nxpk= 0, iat=4511, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=4517,4518,4519, / # # 283 ILE H 296 ILE QG2 4.930 &rst ixpk= 0, nxpk= 0, iat=4291, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=4517,4518,4519, / # # 280 LYS H 296 ILE QG2 4.630 &rst ixpk= 0, nxpk= 0, iat=4239, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=4517,4518,4519, / # # 296 ILE HA 296 ILE QG2 2.740 &rst ixpk= 0, nxpk= 0, iat=4513, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2=4517,4518,4519, / # # 280 LYS HA 296 ILE QG2 3.060 &rst ixpk= 0, nxpk= 0, iat=4241, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2=4517,4518,4519, / # # 292 ILE QG2 296 ILE QG2 3.490 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=4442,4443,4444, igr2=4517,4518,4519, / # # 283 ILE QG2 284 CYX H 3.600 &rst ixpk= 0, nxpk= 0, iat= -1,4310, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1=4297,4298,4299, / # # 283 ILE H 283 ILE QG2 3.830 &rst ixpk= 0, nxpk= 0, iat=4291, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=4297,4298,4299, / # # 283 ILE QG2 297 CYX H 4.540 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=4297,4298,4299, / # # 283 ILE QG2 319 TYR QD 4.190 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1=4297,4298,4299, igr2=4890,4899, / # # 283 ILE QG2 284 CYX HA 3.710 &rst ixpk= 0, nxpk= 0, iat= -1,4312, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr1=4297,4298,4299, / # # 283 ILE HA 283 ILE QG2 2.780 &rst ixpk= 0, nxpk= 0, iat=4293, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, igr2=4297,4298,4299, / # # 283 ILE QG2 289 PRO HD2 4.250 &rst ixpk= 0, nxpk= 0, iat= -1,4382, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1=4297,4298,4299, / # # 283 ILE QG2 296 ILE HB 3.660 &rst ixpk= 0, nxpk= 0, iat= -1,4515, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=4297,4298,4299, / # # 283 ILE QG2 292 ILE QG2 2.660 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1=4297,4298,4299, igr2=4442,4443,4444, / # # 283 ILE QG2 296 ILE H 4.830 &rst ixpk= 0, nxpk= 0, iat= -1,4511, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=4297,4298,4299, / # # 283 ILE QG2 319 TYR QE 3.280 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=4297,4298,4299, igr2=4892,4897, / # # 283 ILE QG2 289 PRO HD3 5.200 &rst ixpk= 0, nxpk= 0, iat= -1,4383, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=4297,4298,4299, / # # 283 ILE QG2 292 ILE HA 4.860 &rst ixpk= 0, nxpk= 0, iat= -1,4438, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4297,4298,4299, / # # 283 ILE QG2 284 CYX QB 4.620 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=4297,4298,4299, igr2=4314,4315, / # # 302 TYR H 307 ILE QG2 4.480 &rst ixpk= 0, nxpk= 0, iat=4605, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=4684,4685,4686, / # # 303 ALA H 307 ILE QG2 4.750 &rst ixpk= 0, nxpk= 0, iat=4626, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=4684,4685,4686, / # # 307 ILE QG2 313 ASP H 5.060 &rst ixpk= 0, nxpk= 0, iat= -1,4775, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=4684,4685,4686, / # # 307 ILE QG2 312 GLY H 3.530 &rst ixpk= 0, nxpk= 0, iat= -1,4768, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=4684,4685,4686, / # # 305 VAL H 307 ILE QG2 4.270 &rst ixpk= 0, nxpk= 0, iat=4648, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=4684,4685,4686, / # # 302 TYR QD 307 ILE QG2 3.250 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=4613,4622, igr2=4684,4685,4686, / # # 302 TYR HA 307 ILE QG2 3.430 &rst ixpk= 0, nxpk= 0, iat=4607, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=4684,4685,4686, / # # 306 ASN HA 307 ILE QG2 4.820 &rst ixpk= 0, nxpk= 0, iat=4666, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=4684,4685,4686, / # # 303 ALA HA 307 ILE QG2 4.850 &rst ixpk= 0, nxpk= 0, iat=4628, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr2=4684,4685,4686, / # # 307 ILE QG2 309 ARG HA 4.270 &rst ixpk= 0, nxpk= 0, iat= -1,4711, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=4684,4685,4686, / # # 307 ILE QG2 312 GLY HA2 3.640 &rst ixpk= 0, nxpk= 0, iat= -1,4770, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1=4684,4685,4686, / # # 302 TYR HB3 307 ILE QG2 3.360 &rst ixpk= 0, nxpk= 0, iat=4610, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2=4684,4685,4686, / # # 307 ILE QG2 312 GLY HA3 3.230 &rst ixpk= 0, nxpk= 0, iat= -1,4771, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1=4684,4685,4686, / # # 277 GLU H 279 ILE QD1 4.590 &rst ixpk= 0, nxpk= 0, iat=4183, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=4233,4234,4235, / # # 279 ILE QD1 280 LYS H 4.370 &rst ixpk= 0, nxpk= 0, iat= -1,4239, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=4233,4234,4235, / # # 274 LYS H 279 ILE QD1 4.960 &rst ixpk= 0, nxpk= 0, iat=4131, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=4233,4234,4235, / # # 278 LYS H 279 ILE QD1 4.050 &rst ixpk= 0, nxpk= 0, iat=4198, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2=4233,4234,4235, / # # 275 PRO HA 279 ILE QD1 4.090 &rst ixpk= 0, nxpk= 0, iat=4163, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2=4233,4234,4235, / # # 279 ILE QD1 325 VAL HA 4.440 &rst ixpk= 0, nxpk= 0, iat= -1,4987, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=4233,4234,4235, / # # 276 VAL HA 279 ILE QD1 2.630 &rst ixpk= 0, nxpk= 0, iat=4169, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, igr2=4233,4234,4235, / # # 279 ILE QD1 280 LYS HE3 5.200 &rst ixpk= 0, nxpk= 0, iat= -1,4253, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=4233,4234,4235, / # # 355 ILE H 355 ILE QD1 3.840 &rst ixpk= 0, nxpk= 0, iat=5495, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=5508,5509,5510, / # # 355 ILE QD1 356 THR H 4.800 &rst ixpk= 0, nxpk= 0, iat= -1,5514, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=5508,5509,5510, / # # 354 VAL HA 355 ILE QD1 5.340 &rst ixpk= 0, nxpk= 0, iat=5481, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr2=5508,5509,5510, / # # 355 ILE HB 355 ILE QD1 3.220 &rst ixpk= 0, nxpk= 0, iat=5499, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=5508,5509,5510, / # # 283 ILE QD1 320 LEU H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4903, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4304,4305,4306, / # # 283 ILE QD1 284 CYX H 4.740 &rst ixpk= 0, nxpk= 0, iat= -1,4310, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=4304,4305,4306, / # # 283 ILE H 283 ILE QD1 5.500 &rst ixpk= 0, nxpk= 0, iat=4291, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=4304,4305,4306, / # # 283 ILE QD1 323 HID HD2 3.870 &rst ixpk= 0, nxpk= 0, iat= -1,4974, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=4304,4305,4306, / # # 283 ILE QD1 320 LEU HA 3.960 &rst ixpk= 0, nxpk= 0, iat= -1,4905, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=4304,4305,4306, / # # 283 ILE HA 283 ILE QD1 3.230 &rst ixpk= 0, nxpk= 0, iat=4293, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2=4304,4305,4306, / # # 279 ILE HA 283 ILE QD1 4.390 &rst ixpk= 0, nxpk= 0, iat=4222, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2=4304,4305,4306, / # # 283 ILE QD1 319 TYR QB 4.920 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1=4304,4305,4306, igr2=4886,4887, / # # 279 ILE QG2 283 ILE QD1 2.830 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, igr1=4226,4227,4228, igr2=4304,4305,4306, / # # 283 ILE QD1 292 ILE QG2 3.790 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=4304,4305,4306, igr2=4442,4443,4444, / # # 317 ILE H 317 ILE QD1 3.570 &rst ixpk= 0, nxpk= 0, iat=4844, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2=4857,4858,4859, / # # 317 ILE QD1 318 LEU H 4.540 &rst ixpk= 0, nxpk= 0, iat= -1,4863, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1=4857,4858,4859, / # # 314 TRP H 317 ILE QD1 4.800 &rst ixpk= 0, nxpk= 0, iat=4787, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=4857,4858,4859, / # # 317 ILE QD1 353 PHE QE 3.530 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=4857,4858,4859, igr2=5469,5473, / # # 314 TRP HE3 317 ILE QD1 4.480 &rst ixpk= 0, nxpk= 0, iat=4806, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=4857,4858,4859, / # # 313 ASP HA 317 ILE QD1 4.230 &rst ixpk= 0, nxpk= 0, iat=4777, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=4857,4858,4859, / # # 317 ILE QD1 356 THR HB 3.930 &rst ixpk= 0, nxpk= 0, iat= -1,5518, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=4857,4858,4859, / # # 314 TRP HA 317 ILE QD1 4.260 &rst ixpk= 0, nxpk= 0, iat=4789, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=4857,4858,4859, / # # 317 ILE QD1 357 LEU HA 4.210 &rst ixpk= 0, nxpk= 0, iat= -1,5530, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=4857,4858,4859, / # # 317 ILE HA 317 ILE QD1 3.830 &rst ixpk= 0, nxpk= 0, iat=4846, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=4857,4858,4859, / # # 313 ASP HB3 317 ILE QD1 4.030 &rst ixpk= 0, nxpk= 0, iat=4780, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=4857,4858,4859, / # # 313 ASP HB2 317 ILE QD1 4.030 &rst ixpk= 0, nxpk= 0, iat=4779, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=4857,4858,4859, / # # 317 ILE HB 317 ILE QD1 3.250 &rst ixpk= 0, nxpk= 0, iat=4848, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2=4857,4858,4859, / # # 317 ILE QD1 331 ILE QG2 3.270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=4857,4858,4859, igr2=5081,5082,5083, / # # 317 ILE QG2 317 ILE QD1 2.530 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr1=4850,4851,4852, igr2=4857,4858,4859, / # # 317 ILE QD1 357 LEU QD2 4.590 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=4857,4858,4859, igr2=5541,5542,5543, / # # 317 ILE QD1 357 LEU H 4.670 &rst ixpk= 0, nxpk= 0, iat= -1,5528, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=4857,4858,4859, / # # 317 ILE QD1 353 PHE HZ 4.970 &rst ixpk= 0, nxpk= 0, iat= -1,5471, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=4857,4858,4859, / # # 307 ILE QD1 311 ARG HE 5.230 &rst ixpk= 0, nxpk= 0, iat= -1,4757, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, igr1=4691,4692,4693, / # # 307 ILE QD1 312 GLY HA2 3.530 &rst ixpk= 0, nxpk= 0, iat= -1,4770, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=4691,4692,4693, / # # 302 TYR HB3 307 ILE QD1 5.430 &rst ixpk= 0, nxpk= 0, iat=4610, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2=4691,4692,4693, / # # 307 ILE QD1 312 GLY HA3 3.750 &rst ixpk= 0, nxpk= 0, iat= -1,4771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1=4691,4692,4693, / # # 307 ILE QD1 311 ARG HG3 5.310 &rst ixpk= 0, nxpk= 0, iat= -1,4752, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1=4691,4692,4693, / # # 295 ILE QD1 307 ILE QD1 4.780 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1=4505,4506,4507, igr2=4691,4692,4693, / # # 321 MET H 331 ILE QD1 4.110 &rst ixpk= 0, nxpk= 0, iat=4922, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=5088,5089,5090, / # # 317 ILE H 331 ILE QD1 5.500 &rst ixpk= 0, nxpk= 0, iat=4844, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5088,5089,5090, / # # 320 LEU H 331 ILE QD1 5.500 &rst ixpk= 0, nxpk= 0, iat=4903, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5088,5089,5090, / # # 329 ASP H 331 ILE QD1 5.020 &rst ixpk= 0, nxpk= 0, iat=5041, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr2=5088,5089,5090, / # # 326 THR H 331 ILE QD1 5.480 &rst ixpk= 0, nxpk= 0, iat=5001, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr2=5088,5089,5090, / # # 331 ILE H 331 ILE QD1 3.340 &rst ixpk= 0, nxpk= 0, iat=5075, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2=5088,5089,5090, / # # 331 ILE QD1 353 PHE HZ 3.990 &rst ixpk= 0, nxpk= 0, iat= -1,5471, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=5088,5089,5090, / # # 331 ILE QD1 353 PHE QE 4.670 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=5088,5089,5090, igr2=5469,5473, / # # 328 PRO HA 331 ILE QD1 3.180 &rst ixpk= 0, nxpk= 0, iat=5037, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=5088,5089,5090, / # # 331 ILE QD1 357 LEU HA 5.170 &rst ixpk= 0, nxpk= 0, iat= -1,5530, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=5088,5089,5090, / # # 317 ILE HA 331 ILE QD1 4.190 &rst ixpk= 0, nxpk= 0, iat=4846, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=5088,5089,5090, / # # 321 MET HG3 331 ILE QD1 3.600 &rst ixpk= 0, nxpk= 0, iat=4930, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2=5088,5089,5090, / # # 321 MET HG2 331 ILE QD1 3.960 &rst ixpk= 0, nxpk= 0, iat=4929, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=5088,5089,5090, / # # 328 PRO HB3 331 ILE QD1 4.260 &rst ixpk= 0, nxpk= 0, iat=5035, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=5088,5089,5090, / # # 331 ILE HB 331 ILE QD1 3.070 &rst ixpk= 0, nxpk= 0, iat=5079, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=5088,5089,5090, / # # 331 ILE QD1 357 LEU QD2 3.840 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=5088,5089,5090, igr2=5541,5542,5543, / # # 267 LEU QD2 331 ILE QD1 4.520 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1=4033,4034,4035, igr2=5088,5089,5090, / # # 296 ILE H 296 ILE QD1 3.510 &rst ixpk= 0, nxpk= 0, iat=4511, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2=4524,4525,4526, / # # 296 ILE QD1 319 TYR QD 5.380 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, igr1=4524,4525,4526, igr2=4890,4899, / # # 296 ILE QD1 335 LEU HA 5.150 &rst ixpk= 0, nxpk= 0, iat= -1,5149, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, igr1=4524,4525,4526, / # # 296 ILE HA 296 ILE QD1 2.800 &rst ixpk= 0, nxpk= 0, iat=4513, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=4524,4525,4526, / # # 292 ILE HA 296 ILE QD1 4.110 &rst ixpk= 0, nxpk= 0, iat=4438, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=4524,4525,4526, / # # 296 ILE QD1 316 VAL HB 5.300 &rst ixpk= 0, nxpk= 0, iat= -1,4832, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=4524,4525,4526, / # # 296 ILE QD1 335 LEU HG 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,5154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4524,4525,4526, / # # 296 ILE HB 296 ILE QD1 3.260 &rst ixpk= 0, nxpk= 0, iat=4515, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=4524,4525,4526, / # # 295 ILE HB 296 ILE QD1 3.870 &rst ixpk= 0, nxpk= 0, iat=4496, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=4524,4525,4526, / # # 296 ILE QD1 334 LEU HB2 3.310 &rst ixpk= 0, nxpk= 0, iat= -1,5132, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1=4524,4525,4526, / # # 296 ILE QD1 334 LEU HG 4.500 &rst ixpk= 0, nxpk= 0, iat= -1,5135, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=4524,4525,4526, / # # 292 ILE QD1 296 ILE QD1 3.600 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=4449,4450,4451, igr2=4524,4525,4526, / # # 295 ILE H 296 ILE QD1 4.670 &rst ixpk= 0, nxpk= 0, iat=4492, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=4524,4525,4526, / # # 296 ILE QD1 334 LEU H 5.000 &rst ixpk= 0, nxpk= 0, iat= -1,5128, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4524,4525,4526, / # # 296 ILE QD1 335 LEU H 4.730 &rst ixpk= 0, nxpk= 0, iat= -1,5147, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=4524,4525,4526, / # # 295 ILE QD1 302 TYR H 3.900 &rst ixpk= 0, nxpk= 0, iat= -1,4605, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1=4505,4506,4507, / # # 295 ILE QD1 303 ALA H 5.030 &rst ixpk= 0, nxpk= 0, iat= -1,4626, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1=4505,4506,4507, / # # 295 ILE QD1 296 ILE H 4.790 &rst ixpk= 0, nxpk= 0, iat= -1,4511, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=4505,4506,4507, / # # 295 ILE QD1 301 THR H 4.370 &rst ixpk= 0, nxpk= 0, iat= -1,4591, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=4505,4506,4507, / # # 295 ILE QD1 305 VAL H 4.270 &rst ixpk= 0, nxpk= 0, iat= -1,4648, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=4505,4506,4507, / # # 295 ILE QD1 299 ASN H 5.460 &rst ixpk= 0, nxpk= 0, iat= -1,4555, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1=4505,4506,4507, / # # 295 ILE QD1 302 TYR QD 3.050 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=4505,4506,4507, igr2=4613,4622, / # # 295 ILE QD1 302 TYR HA 3.170 &rst ixpk= 0, nxpk= 0, iat= -1,4607, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr1=4505,4506,4507, / # # 295 ILE QD1 301 THR HA 3.460 &rst ixpk= 0, nxpk= 0, iat= -1,4593, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1=4505,4506,4507, / # # 295 ILE HA 295 ILE QD1 2.740 &rst ixpk= 0, nxpk= 0, iat=4494, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2=4505,4506,4507, / # # 295 ILE QD1 302 TYR HB3 4.640 &rst ixpk= 0, nxpk= 0, iat= -1,4610, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=4505,4506,4507, / # # 295 ILE QD1 302 TYR HB2 5.130 &rst ixpk= 0, nxpk= 0, iat= -1,4609, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1=4505,4506,4507, / # # 295 ILE QD1 312 GLY HA3 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4771, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4505,4506,4507, / # # 295 ILE QD1 305 VAL QG2 2.920 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr1=4505,4506,4507, igr2=4658,4659,4660, / # # 292 ILE QD1 316 VAL H 4.230 &rst ixpk= 0, nxpk= 0, iat= -1,4828, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=4449,4450,4451, / # # 292 ILE QD1 320 LEU H 4.580 &rst ixpk= 0, nxpk= 0, iat= -1,4903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=4449,4450,4451, / # # 292 ILE QD1 295 ILE H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4449,4450,4451, / # # 292 ILE QD1 319 TYR H 3.770 &rst ixpk= 0, nxpk= 0, iat= -1,4882, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=4449,4450,4451, / # # 292 ILE QD1 319 TYR QD 3.620 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=4449,4450,4451, igr2=4890,4899, / # # 292 ILE QD1 319 TYR QE 4.160 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=4449,4450,4451, igr2=4892,4897, / # # 292 ILE QD1 319 TYR HA 4.500 &rst ixpk= 0, nxpk= 0, iat= -1,4884, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=4449,4450,4451, / # # 292 ILE QD1 316 VAL HA 2.880 &rst ixpk= 0, nxpk= 0, iat= -1,4830, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1=4449,4450,4451, / # # 292 ILE HA 292 ILE QD1 2.820 &rst ixpk= 0, nxpk= 0, iat=4438, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, igr2=4449,4450,4451, / # # 292 ILE QD1 319 TYR QB 3.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=4449,4450,4451, igr2=4886,4887, / # # 289 PRO HD2 292 ILE QD1 4.310 &rst ixpk= 0, nxpk= 0, iat=4382, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=4449,4450,4451, / # # 292 ILE QD1 316 VAL QG2 2.940 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=4449,4450,4451, igr2=4838,4839,4840, / # # 292 ILE QG2 292 ILE QD1 2.720 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr1=4442,4443,4444, igr2=4449,4450,4451, / # # 292 ILE QD1 296 ILE H 4.780 &rst ixpk= 0, nxpk= 0, iat= -1,4511, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1=4449,4450,4451, / # # 315 HIET HA 315 HIET HE1 5.000 &rst ixpk= 0, nxpk= 0, iat=4813,4820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HE1 315 HIET HE1 5.490 &rst ixpk= 0, nxpk= 0, iat=4797,4820, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 314 TRP HD1 315 HIET HE1 4.880 &rst ixpk= 0, nxpk= 0, iat=4795,4820, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 323 HID HA 323 HID HE1 5.220 &rst ixpk= 0, nxpk= 0, iat=4963,4971, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, / # # 319 TYR QE 323 HID HE1 3.680 &rst ixpk= 0, nxpk= 0, iat= -1,4971, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1=4892,4897, / # # 286 LYS HB3 323 HID HE1 5.500 &rst ixpk= 0, nxpk= 0, iat=4339,4971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 286 LYS QD 323 HID HE1 5.090 &rst ixpk= 0, nxpk= 0, iat= -1,4971, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=4344,4345, / # # 322 LYS HB3 323 HID HE1 5.500 &rst ixpk= 0, nxpk= 0, iat=4944,4971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 322 LYS HB2 323 HID HE1 5.280 &rst ixpk= 0, nxpk= 0, iat=4943,4971, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 352 TYR H 352 TYR HD1 5.170 &rst ixpk= 0, nxpk= 0, iat=5438,5446, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 347 TRP HE3 352 TYR HD1 3.770 &rst ixpk= 0, nxpk= 0, iat=5366,5446, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 352 TYR HA 352 TYR HD1 3.660 &rst ixpk= 0, nxpk= 0, iat=5440,5446, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 352 TYR HB2 352 TYR HD1 3.580 &rst ixpk= 0, nxpk= 0, iat=5442,5446, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, / # # 352 TYR HD1 355 ILE QG2 5.500 &rst ixpk= 0, nxpk= 0, iat=5446, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=5501,5502,5503, / # # 340 LYS HD3 352 TYR HD1 4.840 &rst ixpk= 0, nxpk= 0, iat=5238,5446, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 352 TYR HD2 353 PHE H 3.800 &rst ixpk= 0, nxpk= 0, iat=5455,5459, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 341 ALA H 352 TYR HD2 4.980 &rst ixpk= 0, nxpk= 0, iat=5249,5455, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 352 TYR H 352 TYR HD2 4.730 &rst ixpk= 0, nxpk= 0, iat=5438,5455, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 341 ALA HA 352 TYR HD2 3.290 &rst ixpk= 0, nxpk= 0, iat=5251,5455, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, / # # 352 TYR HD2 353 PHE HA 3.750 &rst ixpk= 0, nxpk= 0, iat=5455,5461, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, / # # 352 TYR HD2 353 PHE HB2 4.100 &rst ixpk= 0, nxpk= 0, iat=5455,5463, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 352 TYR HB3 352 TYR HD2 3.310 &rst ixpk= 0, nxpk= 0, iat=5443,5455, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 367 TYR H 367 TYR QD 3.200 &rst ixpk= 0, nxpk= 0, iat=5701, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2=5709,5718, / # # 364 VAL HB 367 TYR QD 5.150 &rst ixpk= 0, nxpk= 0, iat=5645, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=5709,5718, / # # 366 LYS HG2 367 TYR QD 4.100 &rst ixpk= 0, nxpk= 0, iat=5686, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=5709,5718, / # # 364 VAL QG1 367 TYR QD 4.840 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1=5647,5648,5649, igr2=5709,5718, / # # 319 TYR HA 319 TYR QD 3.820 &rst ixpk= 0, nxpk= 0, iat=4884, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2=4890,4899, / # # 319 TYR QD 320 LEU HG 5.140 &rst ixpk= 0, nxpk= 0, iat= -1,4910, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=4890,4899, / # # 302 TYR QD 339 SER HA 5.200 &rst ixpk= 0, nxpk= 0, iat= -1,5218, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4613,4622, / # # 302 TYR HA 302 TYR QD 4.580 &rst ixpk= 0, nxpk= 0, iat=4607, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2=4613,4622, / # # 353 PHE H 353 PHE QD 4.230 &rst ixpk= 0, nxpk= 0, iat=5459, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2=5467,5475, / # # 353 PHE QD 354 VAL H 4.450 &rst ixpk= 0, nxpk= 0, iat= -1,5479, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=5467,5475, / # # 353 PHE QD 356 THR H 5.430 &rst ixpk= 0, nxpk= 0, iat= -1,5514, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=5467,5475, / # # 353 PHE QD 353 PHE HZ 3.860 &rst ixpk= 0, nxpk= 0, iat= -1,5471, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1=5467,5475, / # # 352 TYR HE2 353 PHE QD 4.510 &rst ixpk= 0, nxpk= 0, iat=5453, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2=5467,5475, / # # 341 ALA HA 353 PHE QD 5.170 &rst ixpk= 0, nxpk= 0, iat=5251, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=5467,5475, / # # 353 PHE HA 353 PHE QD 2.960 &rst ixpk= 0, nxpk= 0, iat=5461, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, igr2=5467,5475, / # # 353 PHE QD 356 THR HB 4.120 &rst ixpk= 0, nxpk= 0, iat= -1,5518, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=5467,5475, / # # 328 PRO HB3 353 PHE QD 5.000 &rst ixpk= 0, nxpk= 0, iat=5035, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=5467,5475, / # # 341 ALA QB 353 PHE QD 3.240 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr1=5253,5254,5255, igr2=5467,5475, / # # 353 PHE QD 357 LEU H 4.930 &rst ixpk= 0, nxpk= 0, iat= -1,5528, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=5467,5475, / # # 329 ASP HA 353 PHE HZ 5.210 &rst ixpk= 0, nxpk= 0, iat=5043,5471, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, / # # 332 LEU H 353 PHE HZ 3.960 &rst ixpk= 0, nxpk= 0, iat=5094,5471, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, / # # 331 ILE H 353 PHE HZ 5.070 &rst ixpk= 0, nxpk= 0, iat=5075,5471, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 328 PRO HA 353 PHE HZ 3.980 &rst ixpk= 0, nxpk= 0, iat=5037,5471, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 332 LEU HA 353 PHE HZ 4.730 &rst ixpk= 0, nxpk= 0, iat=5096,5471, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 328 PRO HB3 353 PHE HZ 4.710 &rst ixpk= 0, nxpk= 0, iat=5035,5471, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 331 ILE HB 353 PHE HZ 3.820 &rst ixpk= 0, nxpk= 0, iat=5079,5471, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, / # # 332 LEU QB 353 PHE HZ 4.220 &rst ixpk= 0, nxpk= 0, iat= -1,5471, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=5098,5099, / # # 332 LEU HG 353 PHE HZ 5.010 &rst ixpk= 0, nxpk= 0, iat=5101,5471, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 353 PHE HZ 357 LEU QD2 4.010 &rst ixpk= 0, nxpk= 0, iat=5471, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=5541,5542,5543, / # # 353 PHE HZ 357 LEU QD1 4.010 &rst ixpk= 0, nxpk= 0, iat=5471, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=5537,5538,5539, / # # 267 LEU QD2 361 TRP HD1 3.800 &rst ixpk= 0, nxpk= 0, iat= -1,5598, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1=4033,4034,4035, / # # 361 TRP HD1 362 SER H 4.890 &rst ixpk= 0, nxpk= 0, iat=5598,5614, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 263 LEU HA 361 TRP HD1 4.540 &rst ixpk= 0, nxpk= 0, iat=3942,5598, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 358 SER HA 361 TRP HD1 5.120 &rst ixpk= 0, nxpk= 0, iat=5549,5598, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 314 TRP HD1 315 HIET H 4.320 &rst ixpk= 0, nxpk= 0, iat=4795,4811, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 311 ARG HA 314 TRP HD1 4.930 &rst ixpk= 0, nxpk= 0, iat=4746,4795, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 314 TRP HD1 315 HIET HA 4.410 &rst ixpk= 0, nxpk= 0, iat=4795,4813, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 347 TRP HD1 348 ASN H 3.340 &rst ixpk= 0, nxpk= 0, iat=5355,5371, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, / # # 347 TRP HA 347 TRP HD1 2.670 &rst ixpk= 0, nxpk= 0, iat=5349,5355, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, / # # 347 TRP HB3 347 TRP HD1 3.830 &rst ixpk= 0, nxpk= 0, iat=5352,5355, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 347 TRP HD1 348 ASN HB2 4.680 &rst ixpk= 0, nxpk= 0, iat=5355,5375, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, / # # 347 TRP HD1 351 LYS HG3 5.250 &rst ixpk= 0, nxpk= 0, iat=5355,5424, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 347 TRP HH2 355 ILE HB 4.870 &rst ixpk= 0, nxpk= 0, iat=5362,5499, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 347 TRP HH2 355 ILE QG1 3.800 &rst ixpk= 0, nxpk= 0, iat=5362, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=5505,5506, / # # 347 TRP HH2 351 LYS HD3 4.650 &rst ixpk= 0, nxpk= 0, iat=5362,5427, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 347 TRP HH2 355 ILE QD1 3.590 &rst ixpk= 0, nxpk= 0, iat=5362, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2=5508,5509,5510, / # # 347 TRP HH2 351 LYS HD2 4.650 &rst ixpk= 0, nxpk= 0, iat=5362,5426, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 347 TRP HH2 351 LYS HB3 4.320 &rst ixpk= 0, nxpk= 0, iat=5362,5421, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 270 ARG HB3 361 TRP HH2 4.070 &rst ixpk= 0, nxpk= 0, iat=4082,5605, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 361 TRP HH2 365 LYS QD 4.990 &rst ixpk= 0, nxpk= 0, iat=5605, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2=5667,5668, / # # 314 TRP HH2 360 ALA H 4.060 &rst ixpk= 0, nxpk= 0, iat=4802,5580, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 314 TRP HH2 363 VAL H 4.570 &rst ixpk= 0, nxpk= 0, iat=4802,5625, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 314 TRP HH2 360 ALA HA 3.490 &rst ixpk= 0, nxpk= 0, iat=4802,5582, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 314 TRP HH2 359 LYS QE 4.800 &rst ixpk= 0, nxpk= 0, iat=4802, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=5571,5572, / # # 314 TRP HH2 359 LYS QB 3.290 &rst ixpk= 0, nxpk= 0, iat=4802, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=5562,5563, / # # 314 TRP HH2 359 LYS HG3 4.410 &rst ixpk= 0, nxpk= 0, iat=4802,5566, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 314 TRP HH2 360 ALA QB 4.140 &rst ixpk= 0, nxpk= 0, iat=4802, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=5584,5585,5586, / # # 314 TRP HH2 318 LEU QD1 4.500 &rst ixpk= 0, nxpk= 0, iat=4802, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=4872,4873,4874, / # # 270 ARG HA 361 TRP HH2 5.500 &rst ixpk= 0, nxpk= 0, iat=4079,5605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 267 LEU QD2 361 TRP HH2 4.870 &rst ixpk= 0, nxpk= 0, iat= -1,5605, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=4033,4034,4035, / # # 270 ARG QG 361 TRP HH2 3.650 &rst ixpk= 0, nxpk= 0, iat= -1,5605, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1=4084,4085, / # # 314 TRP HH2 359 LYS H 5.500 &rst ixpk= 0, nxpk= 0, iat=4802,5558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 361 TRP H 361 TRP HE3 4.720 &rst ixpk= 0, nxpk= 0, iat=5590,5609, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 361 TRP HE3 365 LYS H 4.750 &rst ixpk= 0, nxpk= 0, iat=5609,5657, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 361 TRP HE3 364 VAL H 4.700 &rst ixpk= 0, nxpk= 0, iat=5609,5641, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 361 TRP HB2 361 TRP HE3 3.500 &rst ixpk= 0, nxpk= 0, iat=5594,5609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 361 TRP HE3 364 VAL QG2 3.380 &rst ixpk= 0, nxpk= 0, iat=5609, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2=5651,5652,5653, / # # 321 MET HA 361 TRP HE3 4.920 &rst ixpk= 0, nxpk= 0, iat=4924,5609, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 321 MET HG2 361 TRP HE3 4.760 &rst ixpk= 0, nxpk= 0, iat=4929,5609, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 347 TRP HE3 348 ASN H 4.740 &rst ixpk= 0, nxpk= 0, iat=5366,5371, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 347 TRP HA 347 TRP HE3 5.360 &rst ixpk= 0, nxpk= 0, iat=5349,5366, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 347 TRP HE3 352 TYR HB3 3.880 &rst ixpk= 0, nxpk= 0, iat=5366,5443, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 361 TRP HZ3 365 LYS HA 4.700 &rst ixpk= 0, nxpk= 0, iat=5607,5659, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 314 TRP HZ3 359 LYS H 4.280 &rst ixpk= 0, nxpk= 0, iat=4804,5558, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, / # # 314 TRP HA 314 TRP HZ3 5.500 &rst ixpk= 0, nxpk= 0, iat=4789,4804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP HZ3 359 LYS QB 3.320 &rst ixpk= 0, nxpk= 0, iat=4804, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr2=5562,5563, / # # 314 TRP HZ3 356 THR QG2 3.930 &rst ixpk= 0, nxpk= 0, iat=4804, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=5520,5521,5522, / # # 314 TRP HZ3 360 ALA QB 3.550 &rst ixpk= 0, nxpk= 0, iat=4804, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2=5584,5585,5586, / # # 347 TRP HZ3 352 TYR HB3 4.690 &rst ixpk= 0, nxpk= 0, iat=5364,5443, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 347 TRP HZ3 355 ILE HB 4.330 &rst ixpk= 0, nxpk= 0, iat=5364,5499, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 322 LYS HB2 323 HID HD2 5.500 &rst ixpk= 0, nxpk= 0, iat=4943,4974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 267 LEU QD2 361 TRP HZ3 4.330 &rst ixpk= 0, nxpk= 0, iat= -1,5607, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=4033,4034,4035, / # # 347 TRP HZ3 352 TYR H 4.290 &rst ixpk= 0, nxpk= 0, iat=5364,5438, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 347 TRP HZ3 352 TYR HD1 5.000 &rst ixpk= 0, nxpk= 0, iat=5364,5446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 347 TRP HZ3 352 TYR HA 3.400 &rst ixpk= 0, nxpk= 0, iat=5364,5440, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, / # # 347 TRP HZ3 355 ILE QG1 3.830 &rst ixpk= 0, nxpk= 0, iat=5364, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=5505,5506, / # # 340 LYS HD3 352 TYR HE1 3.760 &rst ixpk= 0, nxpk= 0, iat=5238,5448, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, / # # 315 HIET HD2 316 VAL H 5.280 &rst ixpk= 0, nxpk= 0, iat=4824,4828, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 315 HIET H 315 HIET HD2 3.640 &rst ixpk= 0, nxpk= 0, iat=4811,4824, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, / # # 312 GLY H 315 HIET HD2 4.800 &rst ixpk= 0, nxpk= 0, iat=4768,4824, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 314 TRP HD1 315 HIET HD2 3.840 &rst ixpk= 0, nxpk= 0, iat=4795,4824, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 311 ARG HA 315 HIET HD2 3.970 &rst ixpk= 0, nxpk= 0, iat=4746,4824, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, / # # 315 HIET HA 315 HIET HD2 4.290 &rst ixpk= 0, nxpk= 0, iat=4813,4824, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 314 TRP HB3 315 HIET HD2 4.600 &rst ixpk= 0, nxpk= 0, iat=4792,4824, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 312 GLY HA2 315 HIET HD2 4.130 &rst ixpk= 0, nxpk= 0, iat=4770,4824, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, / # # 311 ARG QB 315 HIET HD2 3.560 &rst ixpk= 0, nxpk= 0, iat= -1,4824, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr1=4748,4749, / # # 307 ILE QG1 315 HIET HD2 5.080 &rst ixpk= 0, nxpk= 0, iat= -1,4824, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=4688,4689, / # # 291 LEU HG 315 HIET HD2 4.890 &rst ixpk= 0, nxpk= 0, iat=4424,4824, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 307 ILE QD1 315 HIET HD2 3.870 &rst ixpk= 0, nxpk= 0, iat= -1,4824, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=4691,4692,4693, / # # 341 ALA H 352 TYR HE2 4.430 &rst ixpk= 0, nxpk= 0, iat=5249,5453, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 352 TYR HE2 353 PHE HA 5.000 &rst ixpk= 0, nxpk= 0, iat=5453,5461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 352 TYR HE2 356 THR HB 4.840 &rst ixpk= 0, nxpk= 0, iat=5453,5518, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 313 ASP HB3 352 TYR HE2 4.330 &rst ixpk= 0, nxpk= 0, iat=4780,5453, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 313 ASP HB2 352 TYR HE2 4.330 &rst ixpk= 0, nxpk= 0, iat=4779,5453, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 317 ILE QD1 352 TYR HE2 4.480 &rst ixpk= 0, nxpk= 0, iat= -1,5453, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1=4857,4858,4859, / # # 314 TRP H 314 TRP HE3 5.140 &rst ixpk= 0, nxpk= 0, iat=4787,4806, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, / # # 314 TRP HE3 356 THR HA 3.900 &rst ixpk= 0, nxpk= 0, iat=4806,5516, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 314 TRP HA 314 TRP HE3 3.260 &rst ixpk= 0, nxpk= 0, iat=4789,4806, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, / # # 314 TRP HE3 359 LYS QB 5.500 &rst ixpk= 0, nxpk= 0, iat=4806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5562,5563, / # # 347 TRP HZ2 355 ILE QD1 4.340 &rst ixpk= 0, nxpk= 0, iat=5360, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=5508,5509,5510, / # # 347 TRP HZ2 351 LYS HG3 4.670 &rst ixpk= 0, nxpk= 0, iat=5360,5424, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 347 TRP HZ2 351 LYS HB3 4.180 &rst ixpk= 0, nxpk= 0, iat=5360,5421, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 314 TRP HZ2 360 ALA HA 4.110 &rst ixpk= 0, nxpk= 0, iat=4800,5582, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, / # # 314 TRP HZ2 363 VAL HB 4.360 &rst ixpk= 0, nxpk= 0, iat=4800,5629, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 314 TRP HZ2 363 VAL QG2 3.740 &rst ixpk= 0, nxpk= 0, iat=4800, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2=5635,5636,5637, / # # 314 TRP HZ2 318 LEU QD2 3.840 &rst ixpk= 0, nxpk= 0, iat=4800, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=4876,4877,4878, / # # 314 TRP HZ2 318 LEU QD1 3.840 &rst ixpk= 0, nxpk= 0, iat=4800, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=4872,4873,4874, / # # 270 ARG HD2 361 TRP HZ2 4.230 &rst ixpk= 0, nxpk= 0, iat=4087,5603, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, / # # 270 ARG QG 361 TRP HZ2 3.340 &rst ixpk= 0, nxpk= 0, iat= -1,5603, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1=4084,4085, / # # 270 ARG HB2 361 TRP HZ2 4.600 &rst ixpk= 0, nxpk= 0, iat=4081,5603, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 361 TRP HZ2 365 LYS QD 3.880 &rst ixpk= 0, nxpk= 0, iat=5603, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=5667,5668, / # # 361 TRP HZ2 365 LYS QB 3.880 &rst ixpk= 0, nxpk= 0, iat=5603, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=5661,5662, / # # 261 GLU H 261 GLU QB 3.090 &rst ixpk= 0, nxpk= 0, iat=3910, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr2=3914,3915, / # # 261 GLU H 262 GLU QG 5.340 &rst ixpk= 0, nxpk= 0, iat=3910, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=3932,3933, / # # 261 GLU HA 264 ARG QB 4.140 &rst ixpk= 0, nxpk= 0, iat=3912, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=3963,3964, / # # 261 GLU QB 261 GLU QG 2.430 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, igr1=3914,3915, igr2=3917,3918, / # # 261 GLU QB 265 LYS QD 3.720 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=3914,3915, igr2=3993,3994, / # # 261 GLU QB 265 LYS QE 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=3914,3915, igr2=3996,3997, / # # 262 GLU H 262 GLU QG 3.340 &rst ixpk= 0, nxpk= 0, iat=3925, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2=3932,3933, / # # 262 GLU HA 262 GLU QG 3.000 &rst ixpk= 0, nxpk= 0, iat=3927, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2=3932,3933, / # # 262 GLU QG 263 LEU H 4.510 &rst ixpk= 0, nxpk= 0, iat= -1,3940, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=3932,3933, / # # 262 GLU QG 265 LYS QG 4.130 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=3932,3933, igr2=3990,3991, / # # 262 GLU QG 265 LYS QD 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=3932,3933, igr2=3993,3994, / # # 263 LEU HA 266 GLU QG 3.920 &rst ixpk= 0, nxpk= 0, iat=3942, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=4012,4013, / # # 263 LEU HG 357 LEU QQD 4.660 &rst ixpk= 0, nxpk= 0, iat=3947,5534, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, / # # 263 LEU QQD 266 GLU QG 4.240 &rst ixpk= 0, nxpk= 0, iat=3946, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, igr2=4012,4013, / # # 263 LEU QQD 354 VAL QQG 3.070 &rst ixpk= 0, nxpk= 0, iat=3946,5482, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97, / # # 264 ARG H 264 ARG QB 3.120 &rst ixpk= 0, nxpk= 0, iat=3959, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=3963,3964, / # # 264 ARG HA 266 GLU QG 5.340 &rst ixpk= 0, nxpk= 0, iat=3961, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4012,4013, / # # 264 ARG HA 268 VAL QQG 3.780 &rst ixpk= 0, nxpk= 0, iat=3961,4042, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 264 ARG QB 264 ARG HD2 3.440 &rst ixpk= 0, nxpk= 0, iat= -1,3969, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1=3963,3964, / # # 264 ARG QB 264 ARG HE 4.570 &rst ixpk= 0, nxpk= 0, iat= -1,3972, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=3963,3964, / # # 264 ARG QB 265 LYS H 3.640 &rst ixpk= 0, nxpk= 0, iat= -1,3983, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr1=3963,3964, / # # 264 ARG QB 268 VAL QQG 3.770 &rst ixpk= 0, nxpk= 0, iat= -1,4042, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=3963,3964, / # # 264 ARG HG2 268 VAL QQG 5.390 &rst ixpk= 0, nxpk= 0, iat=3966,4042, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, / # # 264 ARG HD2 268 VAL QQG 4.130 &rst ixpk= 0, nxpk= 0, iat=3969,4042, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, / # # 265 LYS H 265 LYS QG 2.910 &rst ixpk= 0, nxpk= 0, iat=3983, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2=3990,3991, / # # 265 LYS H 266 GLU QG 4.390 &rst ixpk= 0, nxpk= 0, iat=3983, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2=4012,4013, / # # 265 LYS HA 268 VAL QQG 3.210 &rst ixpk= 0, nxpk= 0, iat=3985,4042, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 265 LYS HB2 265 LYS QG 2.500 &rst ixpk= 0, nxpk= 0, iat=3987, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, igr2=3990,3991, / # # 265 LYS QG 265 LYS QE 2.420 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, igr1=3990,3991, igr2=3996,3997, / # # 265 LYS QG 266 GLU H 4.220 &rst ixpk= 0, nxpk= 0, iat= -1,4005, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=3990,3991, / # # 265 LYS QG 268 VAL QQG 5.280 &rst ixpk= 0, nxpk= 0, iat= -1,4042, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr1=3990,3991, / # # 266 GLU H 266 GLU QG 3.920 &rst ixpk= 0, nxpk= 0, iat=4005, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=4012,4013, / # # 266 GLU HA 266 GLU QG 3.310 &rst ixpk= 0, nxpk= 0, iat=4007, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2=4012,4013, / # # 266 GLU QG 267 LEU H 4.180 &rst ixpk= 0, nxpk= 0, iat= -1,4020, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=4012,4013, / # # 266 GLU QG 267 LEU HG 4.820 &rst ixpk= 0, nxpk= 0, iat= -1,4027, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1=4012,4013, / # # 266 GLU QG 267 LEU QD2 4.590 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1=4012,4013, igr2=4033,4034,4035, / # # 266 GLU QG 269 LYS QE 4.600 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=4012,4013, igr2=4068,4069, / # # 266 GLU QG 270 ARG QG 5.140 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1=4012,4013, igr2=4084,4085, / # # 266 GLU QG 361 TRP HE1 3.580 &rst ixpk= 0, nxpk= 0, iat= -1,5600, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=4012,4013, / # # 266 GLU QG 361 TRP HZ2 4.330 &rst ixpk= 0, nxpk= 0, iat= -1,5603, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1=4012,4013, / # # 267 LEU H 268 VAL QQG 4.090 &rst ixpk= 0, nxpk= 0, iat=4020,4042, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, / # # 267 LEU HB2 268 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat=4024,4042, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 267 LEU HB2 327 ASP QB 5.160 &rst ixpk= 0, nxpk= 0, iat=4024, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=5019,5020, / # # 267 LEU HB3 327 ASP QB 4.950 &rst ixpk= 0, nxpk= 0, iat=4025, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2=5019,5020, / # # 267 LEU QD1 268 VAL QQG 4.440 &rst ixpk= 0, nxpk= 0, iat= -1,4042, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, igr1=4029,4030,4031, / # # 267 LEU QD1 354 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat= -1,5482, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=4029,4030,4031, / # # 267 LEU QD1 357 LEU QQD 3.710 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr1=4029,4030,4031, / # # 267 LEU QD2 268 VAL QQG 5.110 &rst ixpk= 0, nxpk= 0, iat= -1,4042, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84, igr1=4033,4034,4035, / # # 267 LEU QD2 357 LEU QQD 4.220 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1=4033,4034,4035, / # # 267 LEU QD2 364 VAL QQG 4.680 &rst ixpk= 0, nxpk= 0, iat= -1,5644, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32, igr1=4033,4034,4035, / # # 268 VAL H 268 VAL QQG 2.810 &rst ixpk= 0, nxpk= 0, iat=4039,4042, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 268 VAL HA 268 VAL QQG 2.620 &rst ixpk= 0, nxpk= 0, iat=4041,4042, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 268 VAL HA 327 ASP QB 4.740 &rst ixpk= 0, nxpk= 0, iat=4041, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2=5019,5020, / # # 268 VAL QQG 269 LYS HB3 4.920 &rst ixpk= 0, nxpk= 0, iat=4042,4060, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, / # # 268 VAL QQG 269 LYS HG2 5.440 &rst ixpk= 0, nxpk= 0, iat=4042,4062, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 268 VAL QQG 271 ASP H 4.670 &rst ixpk= 0, nxpk= 0, iat=4042,4101, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, / # # 268 VAL QQG 271 ASP QB 4.340 &rst ixpk= 0, nxpk= 0, iat=4042, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr2=4105,4106, / # # 268 VAL QQG 327 ASP H 5.440 &rst ixpk= 0, nxpk= 0, iat=4042,5015, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 268 VAL QQG 327 ASP HA 3.690 &rst ixpk= 0, nxpk= 0, iat=4042,5017, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, / # # 268 VAL QQG 327 ASP QB 4.270 &rst ixpk= 0, nxpk= 0, iat=4042, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr2=5019,5020, / # # 268 VAL QQG 328 PRO HG2 5.040 &rst ixpk= 0, nxpk= 0, iat=4042,5031, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, / # # 268 VAL QQG 328 PRO HG3 4.900 &rst ixpk= 0, nxpk= 0, iat=4042,5032, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, / # # 268 VAL QQG 328 PRO HD2 3.610 &rst ixpk= 0, nxpk= 0, iat=4042,5028, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, / # # 268 VAL QQG 328 PRO HD3 4.070 &rst ixpk= 0, nxpk= 0, iat=4042,5029, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, / # # 268 VAL QQG 329 ASP H 5.430 &rst ixpk= 0, nxpk= 0, iat=4042,5041, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, / # # 269 LYS QE 270 ARG QD 3.610 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1=4068,4069, igr2=4087,4088, / # # 270 ARG H 270 ARG QD 5.050 &rst ixpk= 0, nxpk= 0, iat=4077, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=4087,4088, / # # 270 ARG HA 270 ARG QD 3.290 &rst ixpk= 0, nxpk= 0, iat=4079, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2=4087,4088, / # # 270 ARG HB2 270 ARG QD 3.490 &rst ixpk= 0, nxpk= 0, iat=4081, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, igr2=4087,4088, / # # 270 ARG QD 361 TRP HZ3 4.960 &rst ixpk= 0, nxpk= 0, iat= -1,5607, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=4087,4088, / # # 270 ARG QD 361 TRP HZ2 3.480 &rst ixpk= 0, nxpk= 0, iat= -1,5603, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1=4087,4088, / # # 270 ARG QD 368 LEU QQD 3.730 &rst ixpk= 0, nxpk= 0, iat= -1,5728, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=4087,4088, / # # 271 ASP H 327 ASP QB 5.090 &rst ixpk= 0, nxpk= 0, iat=4101, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2=5019,5020, / # # 271 ASP HA 273 GLY QA 5.340 &rst ixpk= 0, nxpk= 0, iat=4103, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4126,4127, / # # 271 ASP HA 325 VAL QQG 5.410 &rst ixpk= 0, nxpk= 0, iat=4103,4988, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, / # # 271 ASP QB 273 GLY QA 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=4105,4106, igr2=4126,4127, / # # 271 ASP QB 327 ASP QB 3.960 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=4105,4106, igr2=5019,5020, / # # 272 SER H 272 SER QB 3.240 &rst ixpk= 0, nxpk= 0, iat=4113, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=4117,4118, / # # 272 SER H 273 GLY QA 5.010 &rst ixpk= 0, nxpk= 0, iat=4113, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=4126,4127, / # # 272 SER QB 274 LYS QG 4.360 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=4117,4118, igr2=4138,4139, / # # 272 SER QB 274 LYS QE 4.030 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1=4117,4118, igr2=4144,4145, / # # 273 GLY QA 274 LYS HA 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,4133, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4126,4127, / # # 273 GLY QA 274 LYS QB 5.100 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=4126,4127, igr2=4135,4136, / # # 273 GLY QA 274 LYS QG 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=4126,4127, igr2=4138,4139, / # # 274 LYS QB 282 GLU QG 4.020 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=4135,4136, igr2=4283,4284, / # # 275 PRO HA 276 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat=4163,4170, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 275 PRO HB2 276 VAL QQG 4.590 &rst ixpk= 0, nxpk= 0, iat=4160,4170, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, / # # 276 VAL H 276 VAL QQG 2.560 &rst ixpk= 0, nxpk= 0, iat=4167,4170, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 276 VAL H 334 LEU QQD 5.330 &rst ixpk= 0, nxpk= 0, iat=4167,5134, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, / # # 276 VAL HA 276 VAL QQG 2.410 &rst ixpk= 0, nxpk= 0, iat=4169,4170, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 276 VAL HA 334 LEU QQD 3.350 &rst ixpk= 0, nxpk= 0, iat=4169,5134, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, / # # 276 VAL QQG 277 GLU H 3.170 &rst ixpk= 0, nxpk= 0, iat=4170,4183, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 276 VAL QQG 277 GLU QB 4.270 &rst ixpk= 0, nxpk= 0, iat=4170, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr2=4187,4188, / # # 276 VAL QQG 277 GLU QG 4.200 &rst ixpk= 0, nxpk= 0, iat=4170, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, igr2=4190,4191, / # # 276 VAL QQG 279 ILE H 4.470 &rst ixpk= 0, nxpk= 0, iat=4170,4220, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, / # # 276 VAL QQG 279 ILE HB 4.640 &rst ixpk= 0, nxpk= 0, iat=4170,4224, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, / # # 276 VAL QQG 279 ILE QD1 3.340 &rst ixpk= 0, nxpk= 0, iat=4170, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr2=4233,4234,4235, / # # 276 VAL QQG 280 LYS HE2 3.390 &rst ixpk= 0, nxpk= 0, iat=4170,4252, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 276 VAL QQG 280 LYS HE3 3.330 &rst ixpk= 0, nxpk= 0, iat=4170,4253, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 276 VAL QQG 327 ASP QB 6.000 &rst ixpk= 0, nxpk= 0, iat=4170, -1, r1= 1.30, r2= 1.80, r3= 8.93, r4= 9.43, igr2=5019,5020, / # # 276 VAL QQG 330 LYS H 4.830 &rst ixpk= 0, nxpk= 0, iat=4170,5053, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, / # # 276 VAL QQG 330 LYS HA 2.810 &rst ixpk= 0, nxpk= 0, iat=4170,5055, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 276 VAL QQG 330 LYS HB2 4.270 &rst ixpk= 0, nxpk= 0, iat=4170,5057, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, / # # 276 VAL QQG 330 LYS HB3 3.270 &rst ixpk= 0, nxpk= 0, iat=4170,5058, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 276 VAL QQG 330 LYS HG2 3.840 &rst ixpk= 0, nxpk= 0, iat=4170,5060, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, / # # 276 VAL QQG 330 LYS HG3 4.300 &rst ixpk= 0, nxpk= 0, iat=4170,5061, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, / # # 276 VAL QQG 330 LYS HE2 3.620 &rst ixpk= 0, nxpk= 0, iat=4170,5066, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 276 VAL QQG 330 LYS HE3 4.080 &rst ixpk= 0, nxpk= 0, iat=4170,5067, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, / # # 276 VAL QQG 331 ILE H 5.230 &rst ixpk= 0, nxpk= 0, iat=4170,5075, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, / # # 276 VAL QQG 331 ILE HA 5.340 &rst ixpk= 0, nxpk= 0, iat=4170,5077, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04, / # # 276 VAL QQG 333 GLU H 3.980 &rst ixpk= 0, nxpk= 0, iat=4170,5113, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, / # # 276 VAL QQG 333 GLU HB2 2.650 &rst ixpk= 0, nxpk= 0, iat=4170,5117, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 276 VAL QQG 333 GLU HG2 3.130 &rst ixpk= 0, nxpk= 0, iat=4170,5120, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, / # # 276 VAL QQG 334 LEU H 4.160 &rst ixpk= 0, nxpk= 0, iat=4170,5128, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, / # # 276 VAL QQG 334 LEU HA 5.240 &rst ixpk= 0, nxpk= 0, iat=4170,5130, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, / # # 276 VAL QQG 334 LEU HB2 5.440 &rst ixpk= 0, nxpk= 0, iat=4170,5132, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 276 VAL QQG 334 LEU HG 5.180 &rst ixpk= 0, nxpk= 0, iat=4170,5135, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88, / # # 276 VAL QQG 334 LEU QQD 3.290 &rst ixpk= 0, nxpk= 0, iat=4170,5134, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, / # # 277 GLU H 334 LEU QQD 5.130 &rst ixpk= 0, nxpk= 0, iat=4183,5134, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, / # # 277 GLU HA 280 LYS QB 3.540 &rst ixpk= 0, nxpk= 0, iat=4185, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr2=4243,4244, / # # 278 LYS H 280 LYS QB 5.250 &rst ixpk= 0, nxpk= 0, iat=4198, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2=4243,4244, / # # 278 LYS HB2 282 GLU QG 4.400 &rst ixpk= 0, nxpk= 0, iat=4202, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2=4283,4284, / # # 278 LYS HG2 282 GLU QG 5.340 &rst ixpk= 0, nxpk= 0, iat=4205, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4283,4284, / # # 278 LYS HG3 282 GLU QG 5.040 &rst ixpk= 0, nxpk= 0, iat=4206, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=4283,4284, / # # 278 LYS QD 282 GLU QG 4.190 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=4208,4209, igr2=4283,4284, / # # 278 LYS QE 282 GLU QB 4.820 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=4211,4212, igr2=4280,4281, / # # 278 LYS QE 282 GLU QG 3.050 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1=4211,4212, igr2=4283,4284, / # # 279 ILE H 280 LYS QB 4.830 &rst ixpk= 0, nxpk= 0, iat=4220, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=4243,4244, / # # 279 ILE H 334 LEU QQD 4.460 &rst ixpk= 0, nxpk= 0, iat=4220,5134, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, / # # 279 ILE HA 282 GLU QB 3.500 &rst ixpk= 0, nxpk= 0, iat=4222, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=4280,4281, / # # 279 ILE HA 282 GLU QG 4.060 &rst ixpk= 0, nxpk= 0, iat=4222, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2=4283,4284, / # # 279 ILE HA 283 ILE QG1 5.340 &rst ixpk= 0, nxpk= 0, iat=4222, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4301,4302, / # # 279 ILE HA 325 VAL QQG 4.640 &rst ixpk= 0, nxpk= 0, iat=4222,4988, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, / # # 279 ILE HB 334 LEU QQD 3.980 &rst ixpk= 0, nxpk= 0, iat=4224,5134, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, / # # 279 ILE QG2 280 LYS QB 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=4226,4227,4228, igr2=4243,4244, / # # 279 ILE QG2 282 GLU QB 5.170 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, igr1=4226,4227,4228, igr2=4280,4281, / # # 279 ILE QG2 282 GLU QG 5.160 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, igr1=4226,4227,4228, igr2=4283,4284, / # # 279 ILE QG2 283 ILE QG1 3.450 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=4226,4227,4228, igr2=4301,4302, / # # 279 ILE HG13 282 GLU QG 4.670 &rst ixpk= 0, nxpk= 0, iat=4231, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=4283,4284, / # # 279 ILE HG13 325 VAL QQG 3.640 &rst ixpk= 0, nxpk= 0, iat=4231,4988, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, / # # 279 ILE QD1 282 GLU QG 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=4233,4234,4235, igr2=4283,4284, / # # 279 ILE QD1 327 ASP QB 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=4233,4234,4235, igr2=5019,5020, / # # 280 LYS H 280 LYS QB 2.920 &rst ixpk= 0, nxpk= 0, iat=4239, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2=4243,4244, / # # 280 LYS H 280 LYS QD 3.550 &rst ixpk= 0, nxpk= 0, iat=4239, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=4249,4250, / # # 280 LYS H 282 GLU QB 5.160 &rst ixpk= 0, nxpk= 0, iat=4239, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=4280,4281, / # # 280 LYS H 334 LEU QQD 3.800 &rst ixpk= 0, nxpk= 0, iat=4239,5134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 280 LYS HA 283 ILE QG1 4.880 &rst ixpk= 0, nxpk= 0, iat=4241, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=4301,4302, / # # 280 LYS QB 280 LYS QD 2.750 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1=4243,4244, igr2=4249,4250, / # # 280 LYS QB 283 ILE H 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,4291, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4243,4244, / # # 280 LYS QB 296 ILE QG2 4.330 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4243,4244, igr2=4517,4518,4519, / # # 280 LYS QB 334 LEU QQD 5.280 &rst ixpk= 0, nxpk= 0, iat= -1,5134, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr1=4243,4244, / # # 280 LYS QG 334 LEU QQD 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,5134, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1=4246,4247, / # # 280 LYS QD 334 LEU QQD 4.620 &rst ixpk= 0, nxpk= 0, iat= -1,5134, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89, igr1=4249,4250, / # # 280 LYS HE2 334 LEU QQD 3.220 &rst ixpk= 0, nxpk= 0, iat=4252,5134, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 280 LYS HE3 334 LEU QQD 3.250 &rst ixpk= 0, nxpk= 0, iat=4253,5134, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 281 GLU H 282 GLU QB 4.570 &rst ixpk= 0, nxpk= 0, iat=4261, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2=4280,4281, / # # 281 GLU H 282 GLU QG 4.620 &rst ixpk= 0, nxpk= 0, iat=4261, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=4283,4284, / # # 282 GLU H 282 GLU QB 3.120 &rst ixpk= 0, nxpk= 0, iat=4276, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=4280,4281, / # # 282 GLU H 282 GLU QG 2.840 &rst ixpk= 0, nxpk= 0, iat=4276, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2=4283,4284, / # # 282 GLU H 283 ILE QG1 5.340 &rst ixpk= 0, nxpk= 0, iat=4276, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4301,4302, / # # 282 GLU HA 282 GLU QG 3.050 &rst ixpk= 0, nxpk= 0, iat=4278, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2=4283,4284, / # # 282 GLU QB 283 ILE H 3.580 &rst ixpk= 0, nxpk= 0, iat= -1,4291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1=4280,4281, / # # 282 GLU QB 283 ILE HA 4.410 &rst ixpk= 0, nxpk= 0, iat= -1,4293, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=4280,4281, / # # 282 GLU QB 283 ILE QD1 3.730 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=4280,4281, igr2=4304,4305,4306, / # # 282 GLU QB 284 CYX H 5.170 &rst ixpk= 0, nxpk= 0, iat= -1,4310, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=4280,4281, / # # 282 GLU QB 285 THR QG2 4.020 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=4280,4281, igr2=4326,4327,4328, / # # 283 ILE HA 283 ILE QG1 3.250 &rst ixpk= 0, nxpk= 0, iat=4293, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2=4301,4302, / # # 283 ILE QG2 283 ILE QG1 3.160 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1=4297,4298,4299, igr2=4301,4302, / # # 283 ILE QG2 288 PRO QG 4.750 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=4297,4298,4299, igr2=4371,4372, / # # 283 ILE QG1 284 CYX H 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,4310, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4301,4302, / # # 283 ILE QG1 296 ILE QG2 4.860 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=4301,4302, igr2=4517,4518,4519, / # # 283 ILE QG1 319 TYR QE 4.130 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=4301,4302, igr2=4892,4897, / # # 283 ILE QG1 320 LEU QQD 4.390 &rst ixpk= 0, nxpk= 0, iat= -1,4909, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, igr1=4301,4302, / # # 283 ILE QD1 320 LEU QQD 3.130 &rst ixpk= 0, nxpk= 0, iat= -1,4909, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr1=4304,4305,4306, / # # 284 CYX HA 288 PRO QG 4.620 &rst ixpk= 0, nxpk= 0, iat=4312, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2=4371,4372, / # # 284 CYX QB 288 PRO QD 5.350 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=4314,4315, igr2=4368,4369, / # # 285 THR H 288 PRO QD 5.350 &rst ixpk= 0, nxpk= 0, iat=4320, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2=4368,4369, / # # 286 LYS H 288 PRO QD 3.610 &rst ixpk= 0, nxpk= 0, iat=4334, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=4368,4369, / # # 286 LYS HB2 287 SER QB 5.010 &rst ixpk= 0, nxpk= 0, iat=4338, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr2=4360,4361, / # # 286 LYS HB2 288 PRO QD 4.480 &rst ixpk= 0, nxpk= 0, iat=4338, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=4368,4369, / # # 287 SER H 288 PRO QD 4.110 &rst ixpk= 0, nxpk= 0, iat=4356, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2=4368,4369, / # # 288 PRO HB2 293 LYS QG 4.300 &rst ixpk= 0, nxpk= 0, iat=4374, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=4462,4463, / # # 289 PRO QB 292 ILE QG1 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=4388,4389, igr2=4446,4447, / # # 289 PRO QB 292 ILE QD1 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=4388,4389, igr2=4449,4450,4451, / # # 289 PRO QB 319 TYR QE 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1=4388,4389, igr2=4892,4897, / # # 289 PRO QG 292 ILE QG2 4.330 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1=4385,4386, igr2=4442,4443,4444, / # # 289 PRO QG 292 ILE QG1 4.510 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=4385,4386, igr2=4446,4447, / # # 289 PRO QG 292 ILE QD1 4.670 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=4385,4386, igr2=4449,4450,4451, / # # 289 PRO QG 319 TYR QB 5.350 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=4385,4386, igr2=4886,4887, / # # 289 PRO QG 319 TYR QD 4.260 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1=4385,4386, igr2=4890,4899, / # # 289 PRO QG 319 TYR QE 3.950 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=4385,4386, igr2=4892,4897, / # # 291 LEU HA 294 GLU QG 5.340 &rst ixpk= 0, nxpk= 0, iat=4419, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4484,4485, / # # 291 LEU HG 315 HIET QB 3.400 &rst ixpk= 0, nxpk= 0, iat=4424, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr2=4815,4816, / # # 291 LEU HG 316 VAL QQG 4.200 &rst ixpk= 0, nxpk= 0, iat=4424,4831, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, / # # 291 LEU QD2 294 GLU QG 5.110 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, igr1=4430,4431,4432, igr2=4484,4485, / # # 291 LEU QD2 305 VAL QQG 3.340 &rst ixpk= 0, nxpk= 0, iat= -1,4651, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=4430,4431,4432, / # # 292 ILE HA 316 VAL QQG 3.690 &rst ixpk= 0, nxpk= 0, iat=4438,4831, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, / # # 292 ILE HB 316 VAL QQG 5.230 &rst ixpk= 0, nxpk= 0, iat=4440,4831, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93, / # # 292 ILE QG2 316 VAL QQG 3.580 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=4442,4443,4444, / # # 292 ILE QG2 320 LEU QQD 4.160 &rst ixpk= 0, nxpk= 0, iat= -1,4909, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=4442,4443,4444, / # # 292 ILE QG1 316 VAL QQG 3.830 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=4446,4447, / # # 292 ILE QD1 316 VAL QQG 2.540 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1=4449,4450,4451, / # # 292 ILE QD1 320 LEU QQD 3.860 &rst ixpk= 0, nxpk= 0, iat= -1,4909, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, igr1=4449,4450,4451, / # # 293 LYS HA 293 LYS QD 4.350 &rst ixpk= 0, nxpk= 0, iat=4457, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=4465,4466, / # # 293 LYS QG 293 LYS QE 2.840 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr1=4462,4463, igr2=4468,4469, / # # 293 LYS QG 297 CYX H 5.500 &rst ixpk= 0, nxpk= 0, iat= -1,4530, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4462,4463, / # # 293 LYS QG 297 CYX HB2 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,4534, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=4462,4463, / # # 293 LYS QG 297 CYX HB3 3.860 &rst ixpk= 0, nxpk= 0, iat= -1,4535, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1=4462,4463, / # # 293 LYS QG 298 GLU HG2 4.660 &rst ixpk= 0, nxpk= 0, iat= -1,4547, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1=4462,4463, / # # 293 LYS QG 298 GLU HG3 4.300 &rst ixpk= 0, nxpk= 0, iat= -1,4548, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1=4462,4463, / # # 293 LYS QD 297 CYX HB2 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,4534, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4465,4466, / # # 294 GLU HA 294 GLU QG 3.710 &rst ixpk= 0, nxpk= 0, iat=4479, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2=4484,4485, / # # 294 GLU HA 300 LYS QE 4.850 &rst ixpk= 0, nxpk= 0, iat=4479, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=4582,4583, / # # 294 GLU QG 295 ILE QD1 5.200 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1=4484,4485, igr2=4505,4506,4507, / # # 294 GLU QG 300 LYS HG3 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,4577, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4484,4485, / # # 294 GLU QG 300 LYS QD 3.950 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1=4484,4485, igr2=4579,4580, / # # 294 GLU QG 300 LYS QE 4.760 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4484,4485, igr2=4582,4583, / # # 294 GLU QG 305 VAL QQG 2.780 &rst ixpk= 0, nxpk= 0, iat= -1,4651, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=4484,4485, / # # 295 ILE H 305 VAL QQG 4.680 &rst ixpk= 0, nxpk= 0, iat=4492,4651, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, / # # 295 ILE H 316 VAL QQG 5.290 &rst ixpk= 0, nxpk= 0, iat=4492,4831, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99, / # # 295 ILE HA 316 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat=4494,4831, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 295 ILE HB 316 VAL QQG 4.200 &rst ixpk= 0, nxpk= 0, iat=4496,4831, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, / # # 295 ILE QG2 316 VAL QQG 2.630 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1=4498,4499,4500, / # # 295 ILE QG2 336 PRO QD 3.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=4498,4499,4500, igr2=5167,5168, / # # 295 ILE HG12 305 VAL QQG 3.310 &rst ixpk= 0, nxpk= 0, iat=4502,4651, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 295 ILE HG13 305 VAL QQG 3.760 &rst ixpk= 0, nxpk= 0, iat=4503,4651, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 295 ILE QD1 305 VAL QQG 2.520 &rst ixpk= 0, nxpk= 0, iat= -1,4651, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1=4505,4506,4507, / # # 295 ILE QD1 316 VAL QQG 4.120 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=4505,4506,4507, / # # 295 ILE QD1 335 LEU QQD 5.390 &rst ixpk= 0, nxpk= 0, iat= -1,5153, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17, igr1=4505,4506,4507, / # # 295 ILE QD1 336 PRO QD 4.580 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=4505,4506,4507, igr2=5167,5168, / # # 296 ILE H 316 VAL QQG 4.860 &rst ixpk= 0, nxpk= 0, iat=4511,4831, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56, / # # 296 ILE QG1 316 VAL QQG 3.770 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1=4521,4522, / # # 296 ILE QG1 334 LEU QQD 4.690 &rst ixpk= 0, nxpk= 0, iat= -1,5134, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96, igr1=4521,4522, / # # 296 ILE QD1 316 VAL QQG 3.550 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, igr1=4524,4525,4526, / # # 296 ILE QD1 335 LEU QQD 3.640 &rst ixpk= 0, nxpk= 0, iat= -1,5153, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1=4524,4525,4526, / # # 298 GLU HA 300 LYS QE 4.660 &rst ixpk= 0, nxpk= 0, iat=4542, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2=4582,4583, / # # 298 GLU HB2 300 LYS QE 3.580 &rst ixpk= 0, nxpk= 0, iat=4544, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2=4582,4583, / # # 298 GLU HB3 300 LYS QE 3.250 &rst ixpk= 0, nxpk= 0, iat=4545, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2=4582,4583, / # # 298 GLU HG2 300 LYS QE 4.560 &rst ixpk= 0, nxpk= 0, iat=4547, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=4582,4583, / # # 298 GLU HG3 300 LYS QE 5.340 &rst ixpk= 0, nxpk= 0, iat=4548, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4582,4583, / # # 298 GLU HG3 305 VAL QQG 5.700 &rst ixpk= 0, nxpk= 0, iat=4548,4651, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40, / # # 299 ASN H 299 ASN QD2 4.240 &rst ixpk= 0, nxpk= 0, iat=4555, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2=4564,4565, / # # 299 ASN HA 299 ASN QD2 3.800 &rst ixpk= 0, nxpk= 0, iat=4557, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=4564,4565, / # # 299 ASN QB 299 ASN QD2 2.930 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1=4559,4560, igr2=4564,4565, / # # 299 ASN QB 300 LYS H 4.240 &rst ixpk= 0, nxpk= 0, iat= -1,4569, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=4559,4560, / # # 300 LYS H 300 LYS QE 4.940 &rst ixpk= 0, nxpk= 0, iat=4569, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr2=4582,4583, / # # 300 LYS H 305 VAL QQG 4.430 &rst ixpk= 0, nxpk= 0, iat=4569,4651, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, / # # 300 LYS HA 304 ASP QB 4.260 &rst ixpk= 0, nxpk= 0, iat=4571, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=4640,4641, / # # 300 LYS HB2 300 LYS QE 4.840 &rst ixpk= 0, nxpk= 0, iat=4573, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2=4582,4583, / # # 300 LYS HB2 304 ASP QB 3.740 &rst ixpk= 0, nxpk= 0, iat=4573, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=4640,4641, / # # 300 LYS HB2 305 VAL QQG 3.670 &rst ixpk= 0, nxpk= 0, iat=4573,4651, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, / # # 300 LYS HB3 305 VAL QQG 3.710 &rst ixpk= 0, nxpk= 0, iat=4574,4651, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 300 LYS HG2 300 LYS QE 3.690 &rst ixpk= 0, nxpk= 0, iat=4576, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2=4582,4583, / # # 300 LYS HG2 304 ASP QB 4.460 &rst ixpk= 0, nxpk= 0, iat=4576, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=4640,4641, / # # 300 LYS HG2 305 VAL QQG 5.000 &rst ixpk= 0, nxpk= 0, iat=4576,4651, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, / # # 300 LYS HG3 305 VAL QQG 4.250 &rst ixpk= 0, nxpk= 0, iat=4577,4651, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, / # # 300 LYS QD 305 VAL QQG 3.100 &rst ixpk= 0, nxpk= 0, iat= -1,4651, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1=4579,4580, / # # 301 THR H 304 ASP QB 3.470 &rst ixpk= 0, nxpk= 0, iat=4591, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=4640,4641, / # # 301 THR H 305 VAL QQG 3.960 &rst ixpk= 0, nxpk= 0, iat=4591,4651, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, / # # 301 THR HB 305 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat=4595,4651, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 301 THR QG2 304 ASP QB 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=4597,4598,4599, igr2=4640,4641, / # # 301 THR QG2 338 ASP QB 4.280 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=4597,4598,4599, igr2=5208,5209, / # # 302 TYR H 305 VAL QQG 4.130 &rst ixpk= 0, nxpk= 0, iat=4605,4651, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, / # # 302 TYR HA 305 VAL QQG 2.820 &rst ixpk= 0, nxpk= 0, iat=4607,4651, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 302 TYR HB2 305 VAL QQG 4.700 &rst ixpk= 0, nxpk= 0, iat=4609,4651, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, / # # 302 TYR HB3 305 VAL QQG 3.900 &rst ixpk= 0, nxpk= 0, iat=4610,4651, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, / # # 302 TYR HB3 309 ARG QB 5.340 &rst ixpk= 0, nxpk= 0, iat=4610, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4713,4714, / # # 302 TYR QD 305 VAL QQG 3.160 &rst ixpk= 0, nxpk= 0, iat= -1,4651, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1=4613,4622, / # # 302 TYR QD 309 ARG QG 4.250 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=4613,4622, igr2=4716,4717, / # # 302 TYR QD 316 VAL QQG 4.580 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84, igr1=4613,4622, / # # 302 TYR QD 335 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat= -1,5153, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr1=4613,4622, / # # 303 ALA H 305 VAL QQG 4.520 &rst ixpk= 0, nxpk= 0, iat=4626,4651, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, / # # 303 ALA QB 304 ASP QB 4.440 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=4630,4631,4632, igr2=4640,4641, / # # 303 ALA QB 305 VAL QQG 4.960 &rst ixpk= 0, nxpk= 0, iat= -1,4651, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66, igr1=4630,4631,4632, / # # 303 ALA QB 309 ARG QG 5.280 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, igr1=4630,4631,4632, igr2=4716,4717, / # # 303 ALA QB 338 ASP QB 4.900 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4630,4631,4632, igr2=5208,5209, / # # 304 ASP H 304 ASP QB 3.070 &rst ixpk= 0, nxpk= 0, iat=4636, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2=4640,4641, / # # 304 ASP QB 305 VAL QQG 3.360 &rst ixpk= 0, nxpk= 0, iat= -1,4651, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1=4640,4641, / # # 304 ASP QB 306 ASN H 5.000 &rst ixpk= 0, nxpk= 0, iat= -1,4664, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=4640,4641, / # # 305 VAL H 305 VAL QQG 2.510 &rst ixpk= 0, nxpk= 0, iat=4648,4651, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 305 VAL HA 305 VAL QQG 2.560 &rst ixpk= 0, nxpk= 0, iat=4650,4651, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 305 VAL QQG 306 ASN H 3.090 &rst ixpk= 0, nxpk= 0, iat=4651,4664, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 305 VAL QQG 306 ASN HB2 4.890 &rst ixpk= 0, nxpk= 0, iat=4651,4668, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, / # # 305 VAL QQG 306 ASN HB3 4.940 &rst ixpk= 0, nxpk= 0, iat=4651,4669, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, / # # 305 VAL QQG 307 ILE H 3.070 &rst ixpk= 0, nxpk= 0, iat=4651,4678, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, / # # 305 VAL QQG 307 ILE HA 4.380 &rst ixpk= 0, nxpk= 0, iat=4651,4680, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, / # # 305 VAL QQG 307 ILE HB 3.160 &rst ixpk= 0, nxpk= 0, iat=4651,4682, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 305 VAL QQG 307 ILE QG2 2.530 &rst ixpk= 0, nxpk= 0, iat=4651, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=4684,4685,4686, / # # 305 VAL QQG 307 ILE QD1 3.630 &rst ixpk= 0, nxpk= 0, iat=4651, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr2=4691,4692,4693, / # # 305 VAL QQG 336 PRO HG3 5.440 &rst ixpk= 0, nxpk= 0, iat=4651,5171, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 306 ASN HA 306 ASN QD2 4.430 &rst ixpk= 0, nxpk= 0, iat=4666, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2=4673,4674, / # # 306 ASN HB2 306 ASN QD2 3.310 &rst ixpk= 0, nxpk= 0, iat=4668, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2=4673,4674, / # # 306 ASN HB3 306 ASN QD2 3.080 &rst ixpk= 0, nxpk= 0, iat=4669, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2=4673,4674, / # # 307 ILE HA 308 ASP QB 4.860 &rst ixpk= 0, nxpk= 0, iat=4680, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=4701,4702, / # # 307 ILE QG2 316 VAL QQG 5.410 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20, igr1=4684,4685,4686, / # # 307 ILE QG1 308 ASP QB 4.970 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1=4688,4689, igr2=4701,4702, / # # 307 ILE QD1 311 ARG QG 4.620 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1=4691,4692,4693, igr2=4751,4752, / # # 307 ILE QD1 311 ARG QD 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=4691,4692,4693, igr2=4754,4755, / # # 307 ILE QD1 315 HIET QB 4.950 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=4691,4692,4693, igr2=4815,4816, / # # 307 ILE QD1 316 VAL QQG 4.930 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62, igr1=4691,4692,4693, / # # 308 ASP H 308 ASP QB 3.360 &rst ixpk= 0, nxpk= 0, iat=4697, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=4701,4702, / # # 308 ASP H 311 ARG QD 5.340 &rst ixpk= 0, nxpk= 0, iat=4697, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=4754,4755, / # # 308 ASP QB 309 ARG H 3.860 &rst ixpk= 0, nxpk= 0, iat= -1,4709, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1=4701,4702, / # # 308 ASP QB 310 SER H 4.480 &rst ixpk= 0, nxpk= 0, iat= -1,4733, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=4701,4702, / # # 308 ASP QB 311 ARG H 4.100 &rst ixpk= 0, nxpk= 0, iat= -1,4744, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=4701,4702, / # # 309 ARG H 309 ARG QB 3.630 &rst ixpk= 0, nxpk= 0, iat=4709, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=4713,4714, / # # 309 ARG H 309 ARG QG 3.990 &rst ixpk= 0, nxpk= 0, iat=4709, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2=4716,4717, / # # 309 ARG QB 310 SER H 4.460 &rst ixpk= 0, nxpk= 0, iat= -1,4733, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1=4713,4714, / # # 309 ARG QB 340 LYS HD3 4.160 &rst ixpk= 0, nxpk= 0, iat= -1,5238, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1=4713,4714, / # # 309 ARG QB 340 LYS QE 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1=4713,4714, igr2=5240,5241, / # # 309 ARG QG 340 LYS HD3 5.640 &rst ixpk= 0, nxpk= 0, iat= -1,5238, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1=4716,4717, / # # 309 ARG HD2 338 ASP QB 4.390 &rst ixpk= 0, nxpk= 0, iat=4719, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2=5208,5209, / # # 310 SER H 310 SER QB 3.670 &rst ixpk= 0, nxpk= 0, iat=4733, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=4737,4738, / # # 310 SER QB 340 LYS HD3 4.610 &rst ixpk= 0, nxpk= 0, iat= -1,5238, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1=4737,4738, / # # 310 SER QB 352 TYR HE1 4.200 &rst ixpk= 0, nxpk= 0, iat= -1,5448, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1=4737,4738, / # # 311 ARG H 311 ARG QG 3.800 &rst ixpk= 0, nxpk= 0, iat=4744, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr2=4751,4752, / # # 311 ARG H 311 ARG QD 4.880 &rst ixpk= 0, nxpk= 0, iat=4744, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=4754,4755, / # # 311 ARG HA 311 ARG QD 4.680 &rst ixpk= 0, nxpk= 0, iat=4746, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr2=4754,4755, / # # 311 ARG QG 312 GLY H 4.830 &rst ixpk= 0, nxpk= 0, iat= -1,4768, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1=4751,4752, / # # 311 ARG QG 315 HIET HD2 4.220 &rst ixpk= 0, nxpk= 0, iat= -1,4824, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1=4751,4752, / # # 311 ARG QD 315 HIET HD2 5.300 &rst ixpk= 0, nxpk= 0, iat= -1,4824, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, igr1=4754,4755, / # # 312 GLY HA2 315 HIET QB 4.850 &rst ixpk= 0, nxpk= 0, iat=4770, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=4815,4816, / # # 312 GLY HA3 316 VAL QQG 4.620 &rst ixpk= 0, nxpk= 0, iat=4771,4831, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, / # # 312 GLY HA3 335 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat=4771,5153, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 313 ASP H 316 VAL QQG 5.110 &rst ixpk= 0, nxpk= 0, iat=4775,4831, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, / # # 313 ASP HA 316 VAL QQG 3.660 &rst ixpk= 0, nxpk= 0, iat=4777,4831, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 313 ASP HA 335 LEU QQD 3.270 &rst ixpk= 0, nxpk= 0, iat=4777,5153, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 313 ASP QB 314 TRP H 3.860 &rst ixpk= 0, nxpk= 0, iat= -1,4787, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1=4779,4780, / # # 313 ASP QB 314 TRP HB2 4.560 &rst ixpk= 0, nxpk= 0, iat= -1,4791, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=4779,4780, / # # 313 ASP QB 317 ILE QD1 3.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=4779,4780, igr2=4857,4858,4859, / # # 313 ASP QB 335 LEU QQD 4.090 &rst ixpk= 0, nxpk= 0, iat= -1,5153, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr1=4779,4780, / # # 313 ASP QB 352 TYR HE2 3.720 &rst ixpk= 0, nxpk= 0, iat= -1,5453, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1=4779,4780, / # # 313 ASP QB 356 THR QG2 3.740 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1=4779,4780, igr2=5520,5521,5522, / # # 314 TRP HA 318 LEU QQD 4.240 &rst ixpk= 0, nxpk= 0, iat=4789,4869, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, / # # 314 TRP HD1 318 LEU QQD 3.840 &rst ixpk= 0, nxpk= 0, iat=4795,4869, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, / # # 314 TRP HE3 318 LEU QQD 4.380 &rst ixpk= 0, nxpk= 0, iat=4806,4869, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, / # # 314 TRP HE1 318 LEU QQD 3.280 &rst ixpk= 0, nxpk= 0, iat=4797,4869, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, / # # 314 TRP HE1 363 VAL QQG 4.890 &rst ixpk= 0, nxpk= 0, iat=4797,5628, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, / # # 314 TRP HZ3 318 LEU QQD 4.680 &rst ixpk= 0, nxpk= 0, iat=4804,4869, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, / # # 314 TRP HZ3 363 VAL QQG 4.360 &rst ixpk= 0, nxpk= 0, iat=4804,5628, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, / # # 314 TRP HZ2 318 LEU QQD 3.310 &rst ixpk= 0, nxpk= 0, iat=4800,4869, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 314 TRP HZ2 363 VAL QQG 2.850 &rst ixpk= 0, nxpk= 0, iat=4800,5628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 314 TRP HH2 318 LEU QQD 3.740 &rst ixpk= 0, nxpk= 0, iat=4802,4869, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, / # # 314 TRP HH2 362 SER QB 5.040 &rst ixpk= 0, nxpk= 0, iat=4802, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2=5618,5619, / # # 314 TRP HH2 363 VAL QQG 3.050 &rst ixpk= 0, nxpk= 0, iat=4802,5628, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 315 HIET H 316 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat=4811,4831, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 315 HIET HA 316 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat=4813,4831, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 315 HIET HA 318 LEU QQD 3.380 &rst ixpk= 0, nxpk= 0, iat=4813,4869, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, / # # 315 HIET QB 316 VAL HB 4.860 &rst ixpk= 0, nxpk= 0, iat= -1,4832, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1=4815,4816, / # # 315 HIET QB 316 VAL QQG 4.410 &rst ixpk= 0, nxpk= 0, iat= -1,4831, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=4815,4816, / # # 315 HIET HD2 318 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat=4824,4869, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 315 HIET HE1 318 LEU QQD 5.070 &rst ixpk= 0, nxpk= 0, iat=4820,4869, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, / # # 316 VAL H 316 VAL QQG 2.850 &rst ixpk= 0, nxpk= 0, iat=4828,4831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 316 VAL HA 316 VAL QQG 2.630 &rst ixpk= 0, nxpk= 0, iat=4830,4831, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 316 VAL HA 320 LEU QQD 4.750 &rst ixpk= 0, nxpk= 0, iat=4830,4909, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, / # # 316 VAL HB 320 LEU QQD 4.560 &rst ixpk= 0, nxpk= 0, iat=4832,4909, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, / # # 316 VAL HB 335 LEU QQD 3.670 &rst ixpk= 0, nxpk= 0, iat=4832,5153, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, / # # 316 VAL QQG 317 ILE H 3.190 &rst ixpk= 0, nxpk= 0, iat=4831,4844, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 316 VAL QQG 317 ILE HA 3.950 &rst ixpk= 0, nxpk= 0, iat=4831,4846, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, / # # 316 VAL QQG 319 TYR H 5.440 &rst ixpk= 0, nxpk= 0, iat=4831,4882, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 316 VAL QQG 320 LEU HG 4.300 &rst ixpk= 0, nxpk= 0, iat=4831,4910, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, / # # 316 VAL QQG 335 LEU H 4.610 &rst ixpk= 0, nxpk= 0, iat=4831,5147, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, / # # 316 VAL QQG 335 LEU HA 4.810 &rst ixpk= 0, nxpk= 0, iat=4831,5149, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, / # # 316 VAL QQG 335 LEU QQD 2.400 &rst ixpk= 0, nxpk= 0, iat=4831,5153, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, / # # 317 ILE H 335 LEU QQD 4.090 &rst ixpk= 0, nxpk= 0, iat=4844,5153, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, / # # 317 ILE HA 320 LEU QQD 3.630 &rst ixpk= 0, nxpk= 0, iat=4846,4909, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 317 ILE HA 357 LEU QQD 5.030 &rst ixpk= 0, nxpk= 0, iat=4846,5534, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, / # # 317 ILE HB 318 LEU QQD 4.980 &rst ixpk= 0, nxpk= 0, iat=4848,4869, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, / # # 317 ILE QG2 318 LEU QQD 3.620 &rst ixpk= 0, nxpk= 0, iat= -1,4869, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=4850,4851,4852, / # # 317 ILE QG2 357 LEU QQD 2.780 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1=4850,4851,4852, / # # 317 ILE HG12 357 LEU QQD 3.380 &rst ixpk= 0, nxpk= 0, iat=4854,5534, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, / # # 317 ILE QD1 357 LEU QQD 3.210 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=4857,4858,4859, / # # 318 LEU H 318 LEU QQD 3.320 &rst ixpk= 0, nxpk= 0, iat=4863,4869, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, / # # 318 LEU H 320 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat=4863,4909, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 318 LEU HA 318 LEU QQD 2.660 &rst ixpk= 0, nxpk= 0, iat=4865,4869, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 318 LEU HA 322 LYS QE 4.730 &rst ixpk= 0, nxpk= 0, iat=4865, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2=4952,4953, / # # 318 LEU HA 364 VAL QQG 3.350 &rst ixpk= 0, nxpk= 0, iat=4865,5644, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, / # # 318 LEU HB2 318 LEU QQD 2.960 &rst ixpk= 0, nxpk= 0, iat=4867,4869, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, / # # 318 LEU HB3 318 LEU QQD 2.690 &rst ixpk= 0, nxpk= 0, iat=4868,4869, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 318 LEU HB3 322 LYS QD 3.970 &rst ixpk= 0, nxpk= 0, iat=4868, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2=4949,4950, / # # 318 LEU HB3 322 LYS QE 3.280 &rst ixpk= 0, nxpk= 0, iat=4868, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr2=4952,4953, / # # 318 LEU HG 322 LYS QE 5.000 &rst ixpk= 0, nxpk= 0, iat=4870, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=4952,4953, / # # 318 LEU QQD 319 TYR H 4.190 &rst ixpk= 0, nxpk= 0, iat=4869,4882, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, / # # 318 LEU QQD 321 MET QE 5.030 &rst ixpk= 0, nxpk= 0, iat=4869, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74, igr2=4933,4934,4935, / # # 318 LEU QQD 322 LYS QD 5.280 &rst ixpk= 0, nxpk= 0, iat=4869, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63, igr2=4949,4950, / # # 318 LEU QQD 322 LYS QE 3.610 &rst ixpk= 0, nxpk= 0, iat=4869, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, igr2=4952,4953, / # # 318 LEU QQD 360 ALA H 4.720 &rst ixpk= 0, nxpk= 0, iat=4869,5580, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, / # # 318 LEU QQD 360 ALA HA 4.660 &rst ixpk= 0, nxpk= 0, iat=4869,5582, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, / # # 318 LEU QQD 360 ALA QB 2.730 &rst ixpk= 0, nxpk= 0, iat=4869, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=5584,5585,5586, / # # 318 LEU QQD 361 TRP HA 5.170 &rst ixpk= 0, nxpk= 0, iat=4869,5592, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, / # # 318 LEU QQD 363 VAL H 4.190 &rst ixpk= 0, nxpk= 0, iat=4869,5625, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, / # # 318 LEU QQD 363 VAL HB 3.200 &rst ixpk= 0, nxpk= 0, iat=4869,5629, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 318 LEU QQD 363 VAL QQG 2.860 &rst ixpk= 0, nxpk= 0, iat=4869,5628, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, / # # 318 LEU QQD 364 VAL H 3.740 &rst ixpk= 0, nxpk= 0, iat=4869,5641, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, / # # 318 LEU QQD 364 VAL HB 4.490 &rst ixpk= 0, nxpk= 0, iat=4869,5645, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, / # # 318 LEU QQD 364 VAL QQG 2.720 &rst ixpk= 0, nxpk= 0, iat=4869,5644, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, / # # 318 LEU QQD 367 TYR QD 5.440 &rst ixpk= 0, nxpk= 0, iat=4869, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81, igr2=5709,5718, / # # 319 TYR HA 322 LYS QD 4.210 &rst ixpk= 0, nxpk= 0, iat=4884, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=4949,4950, / # # 319 TYR HA 322 LYS QE 4.540 &rst ixpk= 0, nxpk= 0, iat=4884, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2=4952,4953, / # # 319 TYR QB 320 LEU QQD 3.850 &rst ixpk= 0, nxpk= 0, iat= -1,4909, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1=4886,4887, / # # 319 TYR QD 320 LEU QQD 3.570 &rst ixpk= 0, nxpk= 0, iat= -1,4909, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, igr1=4890,4899, / # # 319 TYR QE 320 LEU QQD 4.950 &rst ixpk= 0, nxpk= 0, iat= -1,4909, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, igr1=4892,4897, / # # 320 LEU H 320 LEU QQD 3.310 &rst ixpk= 0, nxpk= 0, iat=4903,4909, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 320 LEU HA 320 LEU QQD 2.680 &rst ixpk= 0, nxpk= 0, iat=4905,4909, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 320 LEU HA 334 LEU QQD 5.050 &rst ixpk= 0, nxpk= 0, iat=4905,5134, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, / # # 320 LEU HB2 334 LEU QQD 5.050 &rst ixpk= 0, nxpk= 0, iat=4907,5134, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, / # # 320 LEU HB3 325 VAL QQG 3.040 &rst ixpk= 0, nxpk= 0, iat=4908,4988, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 320 LEU HG 331 ILE QG1 5.340 &rst ixpk= 0, nxpk= 0, iat=4910, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=5085,5086, / # # 320 LEU HG 334 LEU QQD 4.080 &rst ixpk= 0, nxpk= 0, iat=4910,5134, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, / # # 320 LEU QQD 321 MET H 4.090 &rst ixpk= 0, nxpk= 0, iat=4909,4922, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, / # # 320 LEU QQD 323 HID H 5.280 &rst ixpk= 0, nxpk= 0, iat=4909,4961, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, / # # 320 LEU QQD 323 HID HB2 4.410 &rst ixpk= 0, nxpk= 0, iat=4909,4965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, / # # 320 LEU QQD 323 HID HD2 4.160 &rst ixpk= 0, nxpk= 0, iat=4909,4974, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, / # # 320 LEU QQD 325 VAL HA 5.440 &rst ixpk= 0, nxpk= 0, iat=4909,4987, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 320 LEU QQD 331 ILE H 4.930 &rst ixpk= 0, nxpk= 0, iat=4909,5075, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, / # # 320 LEU QQD 331 ILE HA 3.260 &rst ixpk= 0, nxpk= 0, iat=4909,5077, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, / # # 320 LEU QQD 331 ILE HB 5.240 &rst ixpk= 0, nxpk= 0, iat=4909,5079, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94, / # # 320 LEU QQD 331 ILE QG1 3.790 &rst ixpk= 0, nxpk= 0, iat=4909, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr2=5085,5086, / # # 320 LEU QQD 334 LEU H 4.870 &rst ixpk= 0, nxpk= 0, iat=4909,5128, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, / # # 320 LEU QQD 334 LEU HA 5.440 &rst ixpk= 0, nxpk= 0, iat=4909,5130, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 320 LEU QQD 334 LEU HB2 3.720 &rst ixpk= 0, nxpk= 0, iat=4909,5132, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, / # # 320 LEU QQD 335 LEU H 4.750 &rst ixpk= 0, nxpk= 0, iat=4909,5147, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, / # # 320 LEU QQD 335 LEU HG 5.110 &rst ixpk= 0, nxpk= 0, iat=4909,5154, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, / # # 321 MET H 321 MET QB 3.540 &rst ixpk= 0, nxpk= 0, iat=4922, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr2=4926,4927, / # # 321 MET H 325 VAL QQG 5.330 &rst ixpk= 0, nxpk= 0, iat=4922,4988, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03, / # # 321 MET HA 325 VAL QQG 5.030 &rst ixpk= 0, nxpk= 0, iat=4924,4988, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, / # # 321 MET HA 364 VAL QQG 3.770 &rst ixpk= 0, nxpk= 0, iat=4924,5644, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 321 MET QB 322 LYS H 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,4939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=4926,4927, / # # 321 MET QB 326 THR QG2 3.960 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=4926,4927, igr2=5007,5008,5009, / # # 321 MET QB 361 TRP HE3 5.030 &rst ixpk= 0, nxpk= 0, iat= -1,5609, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, igr1=4926,4927, / # # 321 MET QB 361 TRP HZ3 3.730 &rst ixpk= 0, nxpk= 0, iat= -1,5607, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1=4926,4927, / # # 321 MET QB 364 VAL QQG 2.520 &rst ixpk= 0, nxpk= 0, iat= -1,5644, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1=4926,4927, / # # 321 MET HG2 357 LEU QQD 5.210 &rst ixpk= 0, nxpk= 0, iat=4929,5534, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, / # # 321 MET HG3 357 LEU QQD 4.970 &rst ixpk= 0, nxpk= 0, iat=4930,5534, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, / # # 321 MET QE 357 LEU QQD 2.380 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=4933,4934,4935, / # # 322 LYS H 322 LYS QG 3.700 &rst ixpk= 0, nxpk= 0, iat=4939, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2=4946,4947, / # # 322 LYS H 322 LYS QD 4.310 &rst ixpk= 0, nxpk= 0, iat=4939, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2=4949,4950, / # # 322 LYS H 322 LYS QE 4.700 &rst ixpk= 0, nxpk= 0, iat=4939, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2=4952,4953, / # # 322 LYS H 364 VAL QQG 3.820 &rst ixpk= 0, nxpk= 0, iat=4939,5644, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, / # # 322 LYS HA 322 LYS QG 3.340 &rst ixpk= 0, nxpk= 0, iat=4941, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2=4946,4947, / # # 322 LYS HA 322 LYS QD 4.440 &rst ixpk= 0, nxpk= 0, iat=4941, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2=4949,4950, / # # 322 LYS HA 322 LYS QE 4.550 &rst ixpk= 0, nxpk= 0, iat=4941, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr2=4952,4953, / # # 322 LYS HA 364 VAL QQG 3.090 &rst ixpk= 0, nxpk= 0, iat=4941,5644, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 322 LYS HA 368 LEU QQD 3.320 &rst ixpk= 0, nxpk= 0, iat=4941,5728, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, / # # 322 LYS HB2 322 LYS QD 3.020 &rst ixpk= 0, nxpk= 0, iat=4943, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, igr2=4949,4950, / # # 322 LYS HB2 322 LYS QE 4.830 &rst ixpk= 0, nxpk= 0, iat=4943, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2=4952,4953, / # # 322 LYS HB2 364 VAL QQG 4.870 &rst ixpk= 0, nxpk= 0, iat=4943,5644, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, / # # 322 LYS HB3 322 LYS QD 3.450 &rst ixpk= 0, nxpk= 0, iat=4944, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=4949,4950, / # # 322 LYS HB3 322 LYS QE 4.340 &rst ixpk= 0, nxpk= 0, iat=4944, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2=4952,4953, / # # 322 LYS HB3 364 VAL QQG 4.710 &rst ixpk= 0, nxpk= 0, iat=4944,5644, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, / # # 322 LYS QG 322 LYS QE 3.090 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1=4946,4947, igr2=4952,4953, / # # 322 LYS QG 364 VAL HA 4.720 &rst ixpk= 0, nxpk= 0, iat= -1,5643, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=4946,4947, / # # 322 LYS QG 367 TYR QD 4.810 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=4946,4947, igr2=5709,5718, / # # 322 LYS QG 367 TYR QE 5.010 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr1=4946,4947, igr2=5711,5716, / # # 322 LYS QD 364 VAL QQG 5.030 &rst ixpk= 0, nxpk= 0, iat= -1,5644, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35, igr1=4949,4950, / # # 322 LYS QD 367 TYR QE 4.680 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=4949,4950, igr2=5711,5716, / # # 322 LYS QE 364 VAL HA 4.340 &rst ixpk= 0, nxpk= 0, iat= -1,5643, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1=4952,4953, / # # 322 LYS QE 364 VAL QQG 4.070 &rst ixpk= 0, nxpk= 0, iat= -1,5644, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, igr1=4952,4953, / # # 322 LYS HE3 364 VAL QG2 6.390 &rst ixpk= 0, nxpk= 0, iat=4953, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, igr2=5651,5652,5653, / # # 322 LYS QE 367 TYR QD 3.840 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1=4952,4953, igr2=5709,5718, / # # 323 HID H 325 VAL QQG 4.680 &rst ixpk= 0, nxpk= 0, iat=4961,4988, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, / # # 323 HID HB2 325 VAL QQG 3.870 &rst ixpk= 0, nxpk= 0, iat=4965,4988, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, / # # 323 HID HB3 325 VAL QQG 4.460 &rst ixpk= 0, nxpk= 0, iat=4966,4988, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, / # # 323 HID HD2 325 VAL QQG 4.100 &rst ixpk= 0, nxpk= 0, iat=4974,4988, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, / # # 324 GLY H 325 VAL QQG 3.450 &rst ixpk= 0, nxpk= 0, iat=4978,4988, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 324 GLY HA3 325 VAL QQG 4.460 &rst ixpk= 0, nxpk= 0, iat=4981,4988, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, / # # 325 VAL H 325 VAL QQG 2.840 &rst ixpk= 0, nxpk= 0, iat=4985,4988, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 325 VAL HA 325 VAL QQG 2.770 &rst ixpk= 0, nxpk= 0, iat=4987,4988, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 325 VAL QQG 326 THR H 3.800 &rst ixpk= 0, nxpk= 0, iat=4988,5001, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 325 VAL QQG 326 THR HA 4.820 &rst ixpk= 0, nxpk= 0, iat=4988,5003, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, / # # 325 VAL QQG 327 ASP H 3.770 &rst ixpk= 0, nxpk= 0, iat=4988,5015, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 325 VAL QQG 327 ASP QB 4.260 &rst ixpk= 0, nxpk= 0, iat=4988, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, igr2=5019,5020, / # # 325 VAL QQG 330 LYS H 4.710 &rst ixpk= 0, nxpk= 0, iat=4988,5053, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, / # # 325 VAL QQG 330 LYS HA 5.280 &rst ixpk= 0, nxpk= 0, iat=4988,5055, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, / # # 325 VAL QQG 330 LYS HB2 3.130 &rst ixpk= 0, nxpk= 0, iat=4988,5057, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, / # # 325 VAL QQG 330 LYS HB3 3.480 &rst ixpk= 0, nxpk= 0, iat=4988,5058, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, / # # 325 VAL QQG 331 ILE H 3.960 &rst ixpk= 0, nxpk= 0, iat=4988,5075, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, / # # 325 VAL QQG 331 ILE HA 4.180 &rst ixpk= 0, nxpk= 0, iat=4988,5077, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, / # # 325 VAL QQG 331 ILE QG1 3.860 &rst ixpk= 0, nxpk= 0, iat=4988, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr2=5085,5086, / # # 326 THR H 327 ASP QB 4.530 &rst ixpk= 0, nxpk= 0, iat=5001, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2=5019,5020, / # # 327 ASP H 327 ASP QB 3.120 &rst ixpk= 0, nxpk= 0, iat=5015, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, igr2=5019,5020, / # # 327 ASP QB 330 LYS H 4.270 &rst ixpk= 0, nxpk= 0, iat= -1,5053, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1=5019,5020, / # # 327 ASP QB 330 LYS HB2 3.730 &rst ixpk= 0, nxpk= 0, iat= -1,5057, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1=5019,5020, / # # 327 ASP QB 330 LYS HB3 4.800 &rst ixpk= 0, nxpk= 0, iat= -1,5058, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=5019,5020, / # # 327 ASP QB 330 LYS HG2 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,5060, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=5019,5020, / # # 327 ASP QB 330 LYS QD 3.690 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr1=5019,5020, igr2=5063,5064, / # # 327 ASP QB 330 LYS HE3 5.240 &rst ixpk= 0, nxpk= 0, iat= -1,5067, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=5019,5020, / # # 328 PRO HA 331 ILE QG1 5.050 &rst ixpk= 0, nxpk= 0, iat=5037, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=5085,5086, / # # 328 PRO HA 357 LEU QQD 3.300 &rst ixpk= 0, nxpk= 0, iat=5037,5534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 328 PRO HB2 329 ASP QB 5.340 &rst ixpk= 0, nxpk= 0, iat=5034, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=5045,5046, / # # 328 PRO HB2 357 LEU QQD 3.520 &rst ixpk= 0, nxpk= 0, iat=5034,5534, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, / # # 328 PRO HG2 329 ASP QB 5.340 &rst ixpk= 0, nxpk= 0, iat=5031, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=5045,5046, / # # 328 PRO HG2 357 LEU QQD 4.320 &rst ixpk= 0, nxpk= 0, iat=5031,5534, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, / # # 328 PRO HG3 357 LEU QQD 3.680 &rst ixpk= 0, nxpk= 0, iat=5032,5534, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, / # # 328 PRO HD3 357 LEU QQD 4.500 &rst ixpk= 0, nxpk= 0, iat=5029,5534, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, / # # 329 ASP H 329 ASP QB 3.240 &rst ixpk= 0, nxpk= 0, iat=5041, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2=5045,5046, / # # 329 ASP HA 332 LEU QQD 3.670 &rst ixpk= 0, nxpk= 0, iat=5043,5100, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, / # # 329 ASP QB 330 LYS H 3.550 &rst ixpk= 0, nxpk= 0, iat= -1,5053, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1=5045,5046, / # # 329 ASP QB 330 LYS HA 4.990 &rst ixpk= 0, nxpk= 0, iat= -1,5055, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=5045,5046, / # # 329 ASP QB 330 LYS HB2 5.330 &rst ixpk= 0, nxpk= 0, iat= -1,5057, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1=5045,5046, / # # 329 ASP QB 330 LYS HE2 3.850 &rst ixpk= 0, nxpk= 0, iat= -1,5066, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1=5045,5046, / # # 329 ASP QB 330 LYS HE3 2.610 &rst ixpk= 0, nxpk= 0, iat= -1,5067, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, igr1=5045,5046, / # # 329 ASP QB 332 LEU QB 5.280 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, igr1=5045,5046, igr2=5098,5099, / # # 330 LYS HA 334 LEU QQD 4.800 &rst ixpk= 0, nxpk= 0, iat=5055,5134, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, / # # 330 LYS HB3 334 LEU QQD 4.890 &rst ixpk= 0, nxpk= 0, iat=5058,5134, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, / # # 331 ILE H 331 ILE QG1 3.350 &rst ixpk= 0, nxpk= 0, iat=5075, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2=5085,5086, / # # 331 ILE H 334 LEU QQD 4.800 &rst ixpk= 0, nxpk= 0, iat=5075,5134, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, / # # 331 ILE HA 334 LEU QQD 3.380 &rst ixpk= 0, nxpk= 0, iat=5077,5134, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, / # # 331 ILE HB 332 LEU QQD 4.700 &rst ixpk= 0, nxpk= 0, iat=5079,5100, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, / # # 331 ILE HB 357 LEU QQD 4.100 &rst ixpk= 0, nxpk= 0, iat=5079,5534, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, / # # 331 ILE QG2 331 ILE QG1 2.690 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr1=5081,5082,5083, igr2=5085,5086, / # # 331 ILE QG2 332 LEU QQD 3.500 &rst ixpk= 0, nxpk= 0, iat= -1,5100, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1=5081,5082,5083, / # # 331 ILE QG2 335 LEU QB 5.030 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr1=5081,5082,5083, igr2=5151,5152, / # # 331 ILE QG2 357 LEU QQD 3.430 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1=5081,5082,5083, / # # 331 ILE QG1 332 LEU H 4.650 &rst ixpk= 0, nxpk= 0, iat= -1,5094, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=5085,5086, / # # 331 ILE QG1 357 LEU QQD 4.780 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07, igr1=5085,5086, / # # 331 ILE QD1 357 LEU QQD 2.730 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr1=5088,5089,5090, / # # 332 LEU H 332 LEU QQD 3.360 &rst ixpk= 0, nxpk= 0, iat=5094,5100, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, / # # 332 LEU H 357 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat=5094,5534, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 332 LEU HA 332 LEU QQD 2.720 &rst ixpk= 0, nxpk= 0, iat=5096,5100, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 332 LEU HA 335 LEU QB 4.480 &rst ixpk= 0, nxpk= 0, iat=5096, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2=5151,5152, / # # 332 LEU QB 332 LEU QQD 2.400 &rst ixpk= 0, nxpk= 0, iat= -1,5100, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1=5098,5099, / # # 332 LEU HG 335 LEU QQD 5.210 &rst ixpk= 0, nxpk= 0, iat=5101,5153, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, / # # 332 LEU QQD 333 GLU H 4.270 &rst ixpk= 0, nxpk= 0, iat=5100,5113, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, / # # 332 LEU QQD 333 GLU HA 5.440 &rst ixpk= 0, nxpk= 0, iat=5100,5115, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 332 LEU QQD 333 GLU HG2 5.410 &rst ixpk= 0, nxpk= 0, iat=5100,5120, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, / # # 332 LEU QQD 335 LEU H 5.040 &rst ixpk= 0, nxpk= 0, iat=5100,5147, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, / # # 332 LEU QQD 335 LEU QB 4.480 &rst ixpk= 0, nxpk= 0, iat=5100, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr2=5151,5152, / # # 332 LEU QQD 335 LEU HG 4.670 &rst ixpk= 0, nxpk= 0, iat=5100,5154, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, / # # 332 LEU QQD 335 LEU QQD 3.080 &rst ixpk= 0, nxpk= 0, iat=5100,5153, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, / # # 332 LEU QQD 339 SER QB 4.880 &rst ixpk= 0, nxpk= 0, iat=5100, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, igr2=5220,5221, / # # 332 LEU QQD 341 ALA H 4.520 &rst ixpk= 0, nxpk= 0, iat=5100,5249, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, / # # 332 LEU QQD 341 ALA HA 4.980 &rst ixpk= 0, nxpk= 0, iat=5100,5251, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68, / # # 332 LEU QQD 341 ALA QB 2.740 &rst ixpk= 0, nxpk= 0, iat=5100, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr2=5253,5254,5255, / # # 332 LEU QQD 342 LYS HA 3.770 &rst ixpk= 0, nxpk= 0, iat=5100,5261, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 332 LEU QQD 342 LYS HB2 4.960 &rst ixpk= 0, nxpk= 0, iat=5100,5263, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, / # # 332 LEU QQD 342 LYS HG2 5.440 &rst ixpk= 0, nxpk= 0, iat=5100,5266, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 332 LEU QQD 342 LYS HG3 4.900 &rst ixpk= 0, nxpk= 0, iat=5100,5267, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, / # # 332 LEU QQD 342 LYS HE2 4.190 &rst ixpk= 0, nxpk= 0, iat=5100,5272, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, / # # 332 LEU QQD 342 LYS HE3 3.970 &rst ixpk= 0, nxpk= 0, iat=5100,5273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, / # # 332 LEU QQD 349 THR QG2 4.200 &rst ixpk= 0, nxpk= 0, iat=5100, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr2=5391,5392,5393, / # # 332 LEU QQD 353 PHE HA 5.300 &rst ixpk= 0, nxpk= 0, iat=5100,5461, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, / # # 332 LEU QQD 353 PHE QD 3.310 &rst ixpk= 0, nxpk= 0, iat=5100, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2=5467,5475, / # # 332 LEU QQD 353 PHE QE 3.010 &rst ixpk= 0, nxpk= 0, iat=5100, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr2=5469,5473, / # # 332 LEU QQD 353 PHE HZ 3.260 &rst ixpk= 0, nxpk= 0, iat=5100,5471, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, / # # 332 LEU QQD 357 LEU QQD 4.550 &rst ixpk= 0, nxpk= 0, iat=5100,5534, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45, / # # 333 GLU H 334 LEU QQD 4.830 &rst ixpk= 0, nxpk= 0, iat=5113,5134, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, / # # 333 GLU HB2 334 LEU QQD 3.450 &rst ixpk= 0, nxpk= 0, iat=5117,5134, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 333 GLU HB3 334 LEU QQD 3.350 &rst ixpk= 0, nxpk= 0, iat=5118,5134, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, / # # 334 LEU H 334 LEU QQD 3.060 &rst ixpk= 0, nxpk= 0, iat=5128,5134, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, / # # 334 LEU H 335 LEU QQD 4.850 &rst ixpk= 0, nxpk= 0, iat=5128,5153, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55, / # # 334 LEU HA 334 LEU QQD 2.490 &rst ixpk= 0, nxpk= 0, iat=5130,5134, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 334 LEU HA 335 LEU QQD 5.170 &rst ixpk= 0, nxpk= 0, iat=5130,5153, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, / # # 334 LEU HB2 334 LEU QQD 2.790 &rst ixpk= 0, nxpk= 0, iat=5132,5134, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 334 LEU HB3 334 LEU QQD 2.710 &rst ixpk= 0, nxpk= 0, iat=5133,5134, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 334 LEU HB3 335 LEU QQD 5.280 &rst ixpk= 0, nxpk= 0, iat=5133,5153, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, / # # 334 LEU QQD 335 LEU H 4.060 &rst ixpk= 0, nxpk= 0, iat=5134,5147, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, / # # 334 LEU QQD 335 LEU QQD 4.730 &rst ixpk= 0, nxpk= 0, iat=5134,5153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, / # # 335 LEU H 335 LEU QQD 3.160 &rst ixpk= 0, nxpk= 0, iat=5147,5153, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 335 LEU HA 335 LEU QQD 2.730 &rst ixpk= 0, nxpk= 0, iat=5149,5153, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 335 LEU QB 335 LEU QQD 2.450 &rst ixpk= 0, nxpk= 0, iat= -1,5153, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=5151,5152, / # # 335 LEU QB 336 PRO QD 3.810 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=5151,5152, igr2=5167,5168, / # # 335 LEU QB 339 SER QB 4.620 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1=5151,5152, igr2=5220,5221, / # # 335 LEU QB 341 ALA QB 5.340 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, igr1=5151,5152, igr2=5253,5254,5255, / # # 335 LEU QB 342 LYS HE2 3.360 &rst ixpk= 0, nxpk= 0, iat= -1,5272, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=5151,5152, / # # 335 LEU HG 336 PRO QD 5.200 &rst ixpk= 0, nxpk= 0, iat=5154, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2=5167,5168, / # # 335 LEU QQD 336 PRO HG3 5.440 &rst ixpk= 0, nxpk= 0, iat=5153,5171, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 335 LEU QQD 336 PRO QD 3.120 &rst ixpk= 0, nxpk= 0, iat=5153, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=5167,5168, / # # 335 LEU QQD 342 LYS HE2 3.740 &rst ixpk= 0, nxpk= 0, iat=5153,5272, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, / # # 335 LEU QQD 353 PHE QE 5.270 &rst ixpk= 0, nxpk= 0, iat=5153, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62, igr2=5469,5473, / # # 335 LEU QQD 353 PHE HZ 4.880 &rst ixpk= 0, nxpk= 0, iat=5153,5471, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, / # # 336 PRO HA 337 ARG QG 5.130 &rst ixpk= 0, nxpk= 0, iat=5176, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2=5187,5188, / # # 337 ARG H 337 ARG QG 3.130 &rst ixpk= 0, nxpk= 0, iat=5180, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, igr2=5187,5188, / # # 337 ARG QG 338 ASP H 3.480 &rst ixpk= 0, nxpk= 0, iat= -1,5204, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1=5187,5188, / # # 337 ARG QD 338 ASP QB 5.030 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1=5190,5191, igr2=5208,5209, / # # 339 SER H 339 SER QB 3.190 &rst ixpk= 0, nxpk= 0, iat=5216, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2=5220,5221, / # # 339 SER QB 341 ALA H 3.980 &rst ixpk= 0, nxpk= 0, iat= -1,5249, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1=5220,5221, / # # 339 SER QB 342 LYS H 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,5259, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=5220,5221, / # # 339 SER QB 342 LYS HB2 4.640 &rst ixpk= 0, nxpk= 0, iat= -1,5263, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=5220,5221, / # # 339 SER QB 342 LYS HB3 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,5264, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=5220,5221, / # # 339 SER QB 342 LYS HG2 5.000 &rst ixpk= 0, nxpk= 0, iat= -1,5266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=5220,5221, / # # 339 SER QB 342 LYS QD 5.220 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1=5220,5221, igr2=5269,5270, / # # 339 SER QB 342 LYS HE2 4.350 &rst ixpk= 0, nxpk= 0, iat= -1,5272, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=5220,5221, / # # 339 SER QB 342 LYS HE3 4.740 &rst ixpk= 0, nxpk= 0, iat= -1,5273, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1=5220,5221, / # # 340 LYS HA 340 LYS QE 4.690 &rst ixpk= 0, nxpk= 0, iat=5229, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2=5240,5241, / # # 340 LYS QB 340 LYS QE 4.130 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=5231,5232, igr2=5240,5241, / # # 340 LYS QB 352 TYR HB3 5.400 &rst ixpk= 0, nxpk= 0, iat= -1,5443, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1=5231,5232, / # # 340 LYS QB 352 TYR HE1 4.960 &rst ixpk= 0, nxpk= 0, iat= -1,5448, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1=5231,5232, / # # 340 LYS QB 352 TYR HE2 4.600 &rst ixpk= 0, nxpk= 0, iat= -1,5453, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=5231,5232, / # # 340 LYS QG 340 LYS QE 3.270 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1=5234,5235, igr2=5240,5241, / # # 340 LYS QG 352 TYR HD1 4.000 &rst ixpk= 0, nxpk= 0, iat= -1,5446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=5234,5235, / # # 340 LYS QE 352 TYR HD1 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,5446, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=5240,5241, / # # 341 ALA QB 357 LEU QQD 5.430 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22, igr1=5253,5254,5255, / # # 343 GLU H 343 GLU QG 4.300 &rst ixpk= 0, nxpk= 0, iat=5281, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2=5288,5289, / # # 343 GLU HA 343 GLU QG 3.260 &rst ixpk= 0, nxpk= 0, iat=5283, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2=5288,5289, / # # 343 GLU QG 344 ASN H 3.790 &rst ixpk= 0, nxpk= 0, iat= -1,5296, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1=5288,5289, / # # 343 GLU QG 345 GLU H 4.560 &rst ixpk= 0, nxpk= 0, iat= -1,5310, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=5288,5289, / # # 343 GLU QG 345 GLU QG 5.200 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr1=5288,5289, igr2=5317,5318, / # # 344 ASN QD2 347 TRP H 4.650 &rst ixpk= 0, nxpk= 0, iat= -1,5347, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=5305,5306, / # # 344 ASN QD2 349 THR HA 4.810 &rst ixpk= 0, nxpk= 0, iat= -1,5387, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=5305,5306, / # # 344 ASN QD2 349 THR QG2 5.150 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, igr1=5305,5306, igr2=5391,5392,5393, / # # 344 ASN QD2 352 TYR HB3 4.670 &rst ixpk= 0, nxpk= 0, iat= -1,5443, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1=5305,5306, / # # 345 GLU QG 346 LYS QG 4.570 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1=5317,5318, igr2=5332,5333, / # # 346 LYS H 346 LYS QB 3.630 &rst ixpk= 0, nxpk= 0, iat=5325, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=5329,5330, / # # 346 LYS H 346 LYS QG 3.950 &rst ixpk= 0, nxpk= 0, iat=5325, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2=5332,5333, / # # 346 LYS H 346 LYS QD 4.710 &rst ixpk= 0, nxpk= 0, iat=5325, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2=5335,5336, / # # 346 LYS HA 346 LYS QD 5.150 &rst ixpk= 0, nxpk= 0, iat=5327, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2=5335,5336, / # # 346 LYS QB 346 LYS QE 4.080 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=5329,5330, igr2=5338,5339, / # # 346 LYS QB 347 TRP H 3.470 &rst ixpk= 0, nxpk= 0, iat= -1,5347, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1=5329,5330, / # # 346 LYS QG 346 LYS QE 3.410 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1=5332,5333, igr2=5338,5339, / # # 346 LYS QG 347 TRP H 4.750 &rst ixpk= 0, nxpk= 0, iat= -1,5347, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1=5332,5333, / # # 347 TRP HD1 351 LYS QD 5.500 &rst ixpk= 0, nxpk= 0, iat=5355, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5426,5427, / # # 347 TRP HE1 351 LYS QD 4.210 &rst ixpk= 0, nxpk= 0, iat=5357, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=5426,5427, / # # 347 TRP HZ3 351 LYS QD 5.060 &rst ixpk= 0, nxpk= 0, iat=5364, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=5426,5427, / # # 347 TRP HZ2 351 LYS QD 3.530 &rst ixpk= 0, nxpk= 0, iat=5360, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2=5426,5427, / # # 347 TRP HZ2 351 LYS QE 4.160 &rst ixpk= 0, nxpk= 0, iat=5360, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2=5429,5430, / # # 347 TRP HH2 351 LYS QD 3.770 &rst ixpk= 0, nxpk= 0, iat=5362, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2=5426,5427, / # # 347 TRP HH2 351 LYS QE 5.340 &rst ixpk= 0, nxpk= 0, iat=5362, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=5429,5430, / # # 348 ASN H 351 LYS QD 5.170 &rst ixpk= 0, nxpk= 0, iat=5371, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=5426,5427, / # # 348 ASN HB2 351 LYS QD 5.310 &rst ixpk= 0, nxpk= 0, iat=5375, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, igr2=5426,5427, / # # 348 ASN HB3 351 LYS QD 4.760 &rst ixpk= 0, nxpk= 0, iat=5376, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=5426,5427, / # # 348 ASN HB3 351 LYS QE 4.800 &rst ixpk= 0, nxpk= 0, iat=5376, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2=5429,5430, / # # 350 GLN HA 354 VAL QQG 4.450 &rst ixpk= 0, nxpk= 0, iat=5401,5482, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, / # # 350 GLN QB 354 VAL QQG 4.410 &rst ixpk= 0, nxpk= 0, iat= -1,5482, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=5403,5404, / # # 350 GLN QG 354 VAL QQG 3.200 &rst ixpk= 0, nxpk= 0, iat= -1,5482, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1=5406,5407, / # # 350 GLN QE2 351 LYS H 4.640 &rst ixpk= 0, nxpk= 0, iat= -1,5416, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1=5411,5412, / # # 350 GLN QE2 351 LYS QE 4.020 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1=5411,5412, igr2=5429,5430, / # # 351 LYS H 351 LYS QD 4.380 &rst ixpk= 0, nxpk= 0, iat=5416, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=5426,5427, / # # 351 LYS HA 351 LYS QD 3.780 &rst ixpk= 0, nxpk= 0, iat=5418, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=5426,5427, / # # 351 LYS HA 351 LYS QE 4.170 &rst ixpk= 0, nxpk= 0, iat=5418, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=5429,5430, / # # 351 LYS HA 354 VAL QQG 3.460 &rst ixpk= 0, nxpk= 0, iat=5418,5482, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 351 LYS HB2 351 LYS QD 3.660 &rst ixpk= 0, nxpk= 0, iat=5420, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=5426,5427, / # # 351 LYS HB2 351 LYS QE 4.560 &rst ixpk= 0, nxpk= 0, iat=5420, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=5429,5430, / # # 351 LYS HB3 351 LYS QD 3.660 &rst ixpk= 0, nxpk= 0, iat=5421, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=5426,5427, / # # 351 LYS HB3 351 LYS QE 4.150 &rst ixpk= 0, nxpk= 0, iat=5421, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=5429,5430, / # # 351 LYS HB3 354 VAL QQG 4.690 &rst ixpk= 0, nxpk= 0, iat=5421,5482, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, / # # 351 LYS HG2 351 LYS QE 3.160 &rst ixpk= 0, nxpk= 0, iat=5423, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2=5429,5430, / # # 351 LYS HG3 351 LYS QE 3.250 &rst ixpk= 0, nxpk= 0, iat=5424, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr2=5429,5430, / # # 351 LYS QD 354 VAL HB 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,5483, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=5426,5427, / # # 351 LYS QD 355 ILE QD1 3.830 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=5426,5427, igr2=5508,5509,5510, / # # 352 TYR HA 354 VAL QQG 5.440 &rst ixpk= 0, nxpk= 0, iat=5440,5482, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 353 PHE H 354 VAL QQG 4.610 &rst ixpk= 0, nxpk= 0, iat=5459,5482, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, / # # 353 PHE HA 357 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat=5461,5534, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 353 PHE HB2 354 VAL QQG 4.810 &rst ixpk= 0, nxpk= 0, iat=5463,5482, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, / # # 353 PHE HB3 354 VAL QQG 4.230 &rst ixpk= 0, nxpk= 0, iat=5464,5482, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, / # # 353 PHE HB3 357 LEU QQD 4.420 &rst ixpk= 0, nxpk= 0, iat=5464,5534, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, / # # 353 PHE QD 357 LEU QQD 3.790 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1=5467,5475, / # # 353 PHE HZ 357 LEU QQD 3.430 &rst ixpk= 0, nxpk= 0, iat=5471,5534, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, / # # 354 VAL H 354 VAL QQG 2.920 &rst ixpk= 0, nxpk= 0, iat=5479,5482, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, / # # 354 VAL HA 354 VAL QQG 2.810 &rst ixpk= 0, nxpk= 0, iat=5481,5482, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 354 VAL HA 357 LEU QQD 3.550 &rst ixpk= 0, nxpk= 0, iat=5481,5534, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 354 VAL QQG 355 ILE HA 4.090 &rst ixpk= 0, nxpk= 0, iat=5482,5497, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, / # # 354 VAL QQG 355 ILE HB 5.440 &rst ixpk= 0, nxpk= 0, iat=5482,5499, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 354 VAL QQG 355 ILE QG2 5.380 &rst ixpk= 0, nxpk= 0, iat=5482, -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16, igr2=5501,5502,5503, / # # 354 VAL QQG 355 ILE QG1 4.870 &rst ixpk= 0, nxpk= 0, iat=5482, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17, igr2=5505,5506, / # # 354 VAL QQG 355 ILE QD1 3.700 &rst ixpk= 0, nxpk= 0, iat=5482, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, igr2=5508,5509,5510, / # # 354 VAL QQG 357 LEU H 5.440 &rst ixpk= 0, nxpk= 0, iat=5482,5528, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 354 VAL QQG 357 LEU QQD 4.040 &rst ixpk= 0, nxpk= 0, iat=5482,5534, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94, / # # 354 VAL QQG 358 SER H 4.730 &rst ixpk= 0, nxpk= 0, iat=5482,5547, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, / # # 356 THR H 357 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat=5514,5534, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 356 THR HB 357 LEU QQD 3.980 &rst ixpk= 0, nxpk= 0, iat=5518,5534, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, / # # 356 THR QG2 357 LEU QQD 3.900 &rst ixpk= 0, nxpk= 0, iat= -1,5534, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, igr1=5520,5521,5522, / # # 357 LEU H 357 LEU QQD 3.180 &rst ixpk= 0, nxpk= 0, iat=5528,5534, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 357 LEU HA 357 LEU QQD 2.800 &rst ixpk= 0, nxpk= 0, iat=5530,5534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 357 LEU HB3 357 LEU QQD 2.900 &rst ixpk= 0, nxpk= 0, iat=5533,5534, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 359 LYS HA 363 VAL QQG 4.790 &rst ixpk= 0, nxpk= 0, iat=5560,5628, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, / # # 359 LYS QB 362 SER QB 5.250 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5562,5563, igr2=5618,5619, / # # 359 LYS QB 363 VAL QQG 4.690 &rst ixpk= 0, nxpk= 0, iat= -1,5628, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96, igr1=5562,5563, / # # 360 ALA H 363 VAL QQG 5.020 &rst ixpk= 0, nxpk= 0, iat=5580,5628, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, / # # 360 ALA HA 363 VAL QQG 3.150 &rst ixpk= 0, nxpk= 0, iat=5582,5628, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 361 TRP HA 364 VAL QQG 3.340 &rst ixpk= 0, nxpk= 0, iat=5592,5644, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, / # # 361 TRP HB2 364 VAL QQG 5.380 &rst ixpk= 0, nxpk= 0, iat=5594,5644, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08, / # # 361 TRP HB3 364 VAL QQG 5.090 &rst ixpk= 0, nxpk= 0, iat=5595,5644, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79, / # # 361 TRP HD1 365 LYS QE 4.140 &rst ixpk= 0, nxpk= 0, iat=5598, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=5670,5671, / # # 361 TRP HE3 368 LEU QQD 5.390 &rst ixpk= 0, nxpk= 0, iat=5609,5728, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09, / # # 361 TRP HE1 365 LYS QE 4.020 &rst ixpk= 0, nxpk= 0, iat=5600, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2=5670,5671, / # # 361 TRP HZ3 364 VAL QQG 3.070 &rst ixpk= 0, nxpk= 0, iat=5607,5644, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, / # # 361 TRP HZ3 368 LEU QQD 3.530 &rst ixpk= 0, nxpk= 0, iat=5607,5728, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, / # # 361 TRP HH2 364 VAL QQG 4.100 &rst ixpk= 0, nxpk= 0, iat=5605,5644, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, / # # 361 TRP HH2 368 LEU QQD 3.400 &rst ixpk= 0, nxpk= 0, iat=5605,5728, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, / # # 362 SER H 362 SER QB 2.840 &rst ixpk= 0, nxpk= 0, iat=5614, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, igr2=5618,5619, / # # 362 SER H 363 VAL QQG 4.440 &rst ixpk= 0, nxpk= 0, iat=5614,5628, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, / # # 362 SER H 364 VAL QQG 4.890 &rst ixpk= 0, nxpk= 0, iat=5614,5644, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59, / # # 362 SER HA 363 VAL QQG 5.280 &rst ixpk= 0, nxpk= 0, iat=5616,5628, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, / # # 362 SER HA 364 VAL QQG 5.290 &rst ixpk= 0, nxpk= 0, iat=5616,5644, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99, / # # 362 SER HA 365 LYS QG 3.820 &rst ixpk= 0, nxpk= 0, iat=5616, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2=5664,5665, / # # 362 SER QB 363 VAL H 3.380 &rst ixpk= 0, nxpk= 0, iat= -1,5625, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr1=5618,5619, / # # 362 SER QB 363 VAL HB 5.340 &rst ixpk= 0, nxpk= 0, iat= -1,5629, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=5618,5619, / # # 362 SER QB 365 LYS QE 5.180 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1=5618,5619, igr2=5670,5671, / # # 363 VAL H 363 VAL QQG 2.700 &rst ixpk= 0, nxpk= 0, iat=5625,5628, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 363 VAL H 364 VAL QQG 3.900 &rst ixpk= 0, nxpk= 0, iat=5625,5644, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, / # # 363 VAL HA 363 VAL QQG 2.420 &rst ixpk= 0, nxpk= 0, iat=5627,5628, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, / # # 363 VAL HA 364 VAL QQG 5.060 &rst ixpk= 0, nxpk= 0, iat=5627,5644, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, / # # 363 VAL HB 364 VAL QQG 3.560 &rst ixpk= 0, nxpk= 0, iat=5629,5644, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, / # # 363 VAL QQG 364 VAL H 3.450 &rst ixpk= 0, nxpk= 0, iat=5628,5641, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 363 VAL QQG 364 VAL HA 3.970 &rst ixpk= 0, nxpk= 0, iat=5628,5643, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, / # # 363 VAL QQG 366 LYS QB 4.520 &rst ixpk= 0, nxpk= 0, iat=5628, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr2=5683,5684, / # # 363 VAL QQG 366 LYS HG2 4.510 &rst ixpk= 0, nxpk= 0, iat=5628,5686, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, / # # 363 VAL QQG 366 LYS QE 3.560 &rst ixpk= 0, nxpk= 0, iat=5628, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, igr2=5692,5693, / # # 363 VAL QQG 367 TYR QD 3.940 &rst ixpk= 0, nxpk= 0, iat=5628, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr2=5709,5718, / # # 363 VAL QQG 367 TYR QE 3.650 &rst ixpk= 0, nxpk= 0, iat=5628, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr2=5711,5716, / # # 364 VAL H 364 VAL QQG 2.760 &rst ixpk= 0, nxpk= 0, iat=5641,5644, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 364 VAL HA 364 VAL QQG 2.790 &rst ixpk= 0, nxpk= 0, iat=5643,5644, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 364 VAL HA 368 LEU QQD 5.440 &rst ixpk= 0, nxpk= 0, iat=5643,5728, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, / # # 364 VAL QQG 365 LYS HA 3.620 &rst ixpk= 0, nxpk= 0, iat=5644,5659, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 364 VAL QQG 365 LYS QD 5.120 &rst ixpk= 0, nxpk= 0, iat=5644, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45, igr2=5667,5668, / # # 364 VAL QQG 366 LYS H 4.460 &rst ixpk= 0, nxpk= 0, iat=5644,5679, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, / # # 364 VAL QQG 367 TYR H 4.660 &rst ixpk= 0, nxpk= 0, iat=5644,5701, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, / # # 364 VAL QQG 367 TYR HB2 4.260 &rst ixpk= 0, nxpk= 0, iat=5644,5705, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, / # # 364 VAL QQG 367 TYR QD 3.540 &rst ixpk= 0, nxpk= 0, iat=5644, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=5709,5718, / # # 364 VAL QQG 367 TYR QE 4.740 &rst ixpk= 0, nxpk= 0, iat=5644, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02, igr2=5711,5716, / # # 364 VAL QQG 368 LEU HB2 4.940 &rst ixpk= 0, nxpk= 0, iat=5644,5726, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, / # # 364 VAL QQG 368 LEU HG 4.160 &rst ixpk= 0, nxpk= 0, iat=5644,5729, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, / # # 364 VAL QQG 368 LEU QQD 2.620 &rst ixpk= 0, nxpk= 0, iat=5644,5728, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52, / # # 365 LYS H 365 LYS QE 5.340 &rst ixpk= 0, nxpk= 0, iat=5657, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2=5670,5671, / # # 365 LYS H 368 LEU QQD 4.670 &rst ixpk= 0, nxpk= 0, iat=5657,5728, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, / # # 365 LYS HA 365 LYS QG 3.450 &rst ixpk= 0, nxpk= 0, iat=5659, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=5664,5665, / # # 365 LYS HA 365 LYS QE 5.600 &rst ixpk= 0, nxpk= 0, iat=5659, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr2=5670,5671, / # # 365 LYS HA 368 LEU QQD 2.950 &rst ixpk= 0, nxpk= 0, iat=5659,5728, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 365 LYS QB 365 LYS QE 3.510 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1=5661,5662, igr2=5670,5671, / # # 365 LYS QB 368 LEU QQD 3.830 &rst ixpk= 0, nxpk= 0, iat= -1,5728, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, igr1=5661,5662, / # # 365 LYS QG 365 LYS QE 2.940 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1=5664,5665, igr2=5670,5671, / # # 365 LYS QG 366 LYS H 3.500 &rst ixpk= 0, nxpk= 0, iat= -1,5679, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=5664,5665, / # # 365 LYS QG 366 LYS HA 4.800 &rst ixpk= 0, nxpk= 0, iat= -1,5681, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=5664,5665, / # # 365 LYS QG 366 LYS QB 4.600 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1=5664,5665, igr2=5683,5684, / # # 367 TYR H 368 LEU QQD 3.960 &rst ixpk= 0, nxpk= 0, iat=5701,5728, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, / # # 367 TYR HB2 368 LEU QQD 4.050 &rst ixpk= 0, nxpk= 0, iat=5705,5728, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, / # # 367 TYR HB3 368 LEU QQD 4.610 &rst ixpk= 0, nxpk= 0, iat=5706,5728, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, / # # 367 TYR QD 368 LEU QQD 3.700 &rst ixpk= 0, nxpk= 0, iat= -1,5728, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=5709,5718, / # # 368 LEU H 368 LEU QQD 3.010 &rst ixpk= 0, nxpk= 0, iat=5722,5728, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, / # # 368 LEU HA 368 LEU QQD 2.800 &rst ixpk= 0, nxpk= 0, iat=5724,5728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 368 LEU HB2 368 LEU QQD 2.690 &rst ixpk= 0, nxpk= 0, iat=5726,5728, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 368 LEU HB3 368 LEU QQD 2.910 &rst ixpk= 0, nxpk= 0, iat=5727,5728, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, / # # 368 LEU QQD 369 GLU H 4.310 &rst ixpk= 0, nxpk= 0, iat=5728,5741, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, / # # 41 SER H 41 SER HA 2.820 &rst ixpk= 0, nxpk= 0, iat= 330, 332, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 41 SER H 41 SER HG 3.500 &rst ixpk= 0, nxpk= 0, iat= 330, 337, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 41 SER H 42 GLU H 2.620 &rst ixpk= 0, nxpk= 0, iat= 330, 341, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, / # # 41 SER H 42 GLU HA 5.240 &rst ixpk= 0, nxpk= 0, iat= 330, 343, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 41 SER H 44 ILE H 5.440 &rst ixpk= 0, nxpk= 0, iat= 330, 380, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, / # # 41 SER H 44 ILE HB 5.940 &rst ixpk= 0, nxpk= 0, iat= 330, 384, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, / # # 41 SER HA 41 SER HG 3.780 &rst ixpk= 0, nxpk= 0, iat= 332, 337, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, / # # 41 SER HA 42 GLU H 3.520 &rst ixpk= 0, nxpk= 0, iat= 332, 341, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 41 SER HA 42 GLU HA 4.760 &rst ixpk= 0, nxpk= 0, iat= 332, 343, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 41 SER HA 43 ARG H 4.410 &rst ixpk= 0, nxpk= 0, iat= 332, 356, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 41 SER HA 44 ILE H 3.800 &rst ixpk= 0, nxpk= 0, iat= 332, 380, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 41 SER HA 44 ILE HB 3.490 &rst ixpk= 0, nxpk= 0, iat= 332, 384, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 41 SER HG 42 GLU H 3.000 &rst ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 41 SER HG 42 GLU HA 4.010 &rst ixpk= 0, nxpk= 0, iat= 337, 343, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 41 SER HG 43 ARG H 5.550 &rst ixpk= 0, nxpk= 0, iat= 337, 356, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, / # # 41 SER HG 45 ARG H 5.720 &rst ixpk= 0, nxpk= 0, iat= 337, 399, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, / # # 42 GLU H 42 GLU HA 2.840 &rst ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 42 GLU H 43 ARG H 2.580 &rst ixpk= 0, nxpk= 0, iat= 341, 356, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, / # # 42 GLU H 43 ARG HA 5.190 &rst ixpk= 0, nxpk= 0, iat= 341, 358, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 42 GLU H 44 ILE H 4.370 &rst ixpk= 0, nxpk= 0, iat= 341, 380, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 42 GLU H 44 ILE HB 5.710 &rst ixpk= 0, nxpk= 0, iat= 341, 384, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, / # # 42 GLU H 45 ARG H 4.660 &rst ixpk= 0, nxpk= 0, iat= 341, 399, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 42 GLU H 46 TYR H 5.980 &rst ixpk= 0, nxpk= 0, iat= 341, 423, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 42 GLU HA 43 ARG H 3.530 &rst ixpk= 0, nxpk= 0, iat= 343, 356, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 42 GLU HA 43 ARG HA 4.850 &rst ixpk= 0, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 42 GLU HA 44 ILE H 4.500 &rst ixpk= 0, nxpk= 0, iat= 343, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 42 GLU HA 44 ILE HB 5.560 &rst ixpk= 0, nxpk= 0, iat= 343, 384, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, / # # 42 GLU HA 45 ARG H 3.330 &rst ixpk= 0, nxpk= 0, iat= 343, 399, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, / # # 42 GLU HA 45 ARG HA 5.010 &rst ixpk= 0, nxpk= 0, iat= 343, 401, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 42 GLU HA 45 ARG HE 5.380 &rst ixpk= 0, nxpk= 0, iat= 343, 412, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 42 GLU HA 46 TYR H 3.760 &rst ixpk= 0, nxpk= 0, iat= 343, 423, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, / # # 42 GLU HA 46 TYR HH 4.770 &rst ixpk= 0, nxpk= 0, iat= 343, 436, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 42 GLU HA 47 ALA H 5.970 &rst ixpk= 0, nxpk= 0, iat= 343, 444, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 43 ARG H 43 ARG HA 2.770 &rst ixpk= 0, nxpk= 0, iat= 356, 358, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 43 ARG H 43 ARG HE 5.170 &rst ixpk= 0, nxpk= 0, iat= 356, 369, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 43 ARG H 44 ILE H 2.850 &rst ixpk= 0, nxpk= 0, iat= 356, 380, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 43 ARG H 44 ILE HA 5.430 &rst ixpk= 0, nxpk= 0, iat= 356, 382, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 43 ARG H 44 ILE HB 5.100 &rst ixpk= 0, nxpk= 0, iat= 356, 384, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 43 ARG H 45 ARG H 4.030 &rst ixpk= 0, nxpk= 0, iat= 356, 399, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 43 ARG H 46 TYR H 4.900 &rst ixpk= 0, nxpk= 0, iat= 356, 423, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 43 ARG H 47 ALA H 5.820 &rst ixpk= 0, nxpk= 0, iat= 356, 444, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 43 ARG H 184 SER H 5.910 &rst ixpk= 0, nxpk= 0, iat= 356,2647, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 43 ARG H 184 SER HA 5.770 &rst ixpk= 0, nxpk= 0, iat= 356,2649, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 43 ARG HA 44 ILE H 3.550 &rst ixpk= 0, nxpk= 0, iat= 358, 380, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 43 ARG HA 44 ILE HA 4.720 &rst ixpk= 0, nxpk= 0, iat= 358, 382, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 43 ARG HA 44 ILE HB 5.920 &rst ixpk= 0, nxpk= 0, iat= 358, 384, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, / # # 43 ARG HA 45 ARG H 4.520 &rst ixpk= 0, nxpk= 0, iat= 358, 399, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 43 ARG HA 46 TYR H 4.000 &rst ixpk= 0, nxpk= 0, iat= 358, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 43 ARG HA 47 ALA H 3.990 &rst ixpk= 0, nxpk= 0, iat= 358, 444, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 43 ARG HA 47 ALA HA 5.820 &rst ixpk= 0, nxpk= 0, iat= 358, 446, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 43 ARG HA 98 TYR HH 4.740 &rst ixpk= 0, nxpk= 0, iat= 358,1321, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 43 ARG HA 182 LEU HA 5.950 &rst ixpk= 0, nxpk= 0, iat= 358,2623, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, / # # 43 ARG HA 183 GLY H 4.850 &rst ixpk= 0, nxpk= 0, iat= 358,2640, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 43 ARG HA 184 SER H 3.980 &rst ixpk= 0, nxpk= 0, iat= 358,2647, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 43 ARG HA 184 SER HA 4.660 &rst ixpk= 0, nxpk= 0, iat= 358,2649, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 43 ARG HA 184 SER HG 5.040 &rst ixpk= 0, nxpk= 0, iat= 358,2654, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 43 ARG HE 44 ILE H 4.470 &rst ixpk= 0, nxpk= 0, iat= 369, 380, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 43 ARG HE 44 ILE HA 5.350 &rst ixpk= 0, nxpk= 0, iat= 369, 382, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 43 ARG HE 92 ILE HA 3.860 &rst ixpk= 0, nxpk= 0, iat= 369,1219, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 43 ARG HE 92 ILE HB 5.410 &rst ixpk= 0, nxpk= 0, iat= 369,1221, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 43 ARG HE 93 GLU HA 4.520 &rst ixpk= 0, nxpk= 0, iat= 369,1238, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 43 ARG HE 95 GLY H 4.240 &rst ixpk= 0, nxpk= 0, iat= 369,1266, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 43 ARG HE 96 TYR HA 5.640 &rst ixpk= 0, nxpk= 0, iat= 369,1275, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, / # # 43 ARG HE 97 ASN H 5.770 &rst ixpk= 0, nxpk= 0, iat= 369,1294, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 43 ARG HE 97 ASN HA 3.950 &rst ixpk= 0, nxpk= 0, iat= 369,1296, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 43 ARG HE 184 SER HA 5.000 &rst ixpk= 0, nxpk= 0, iat= 369,2649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 44 ILE H 44 ILE HA 2.840 &rst ixpk= 0, nxpk= 0, iat= 380, 382, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 44 ILE H 44 ILE HB 2.530 &rst ixpk= 0, nxpk= 0, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, / # # 44 ILE H 45 ARG H 2.530 &rst ixpk= 0, nxpk= 0, iat= 380, 399, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, / # # 44 ILE H 45 ARG HA 5.150 &rst ixpk= 0, nxpk= 0, iat= 380, 401, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 44 ILE H 46 TYR H 4.400 &rst ixpk= 0, nxpk= 0, iat= 380, 423, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 44 ILE H 47 ALA H 4.610 &rst ixpk= 0, nxpk= 0, iat= 380, 444, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 44 ILE H 48 LYS H 5.890 &rst ixpk= 0, nxpk= 0, iat= 380, 454, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, / # # 44 ILE H 93 GLU HA 5.200 &rst ixpk= 0, nxpk= 0, iat= 380,1238, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 44 ILE HA 44 ILE HB 3.020 &rst ixpk= 0, nxpk= 0, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 44 ILE HA 45 ARG H 3.520 &rst ixpk= 0, nxpk= 0, iat= 382, 399, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 44 ILE HA 45 ARG HA 4.840 &rst ixpk= 0, nxpk= 0, iat= 382, 401, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 44 ILE HA 46 TYR H 4.620 &rst ixpk= 0, nxpk= 0, iat= 382, 423, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, / # # 44 ILE HA 47 ALA H 3.450 &rst ixpk= 0, nxpk= 0, iat= 382, 444, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, / # # 44 ILE HA 47 ALA HA 5.310 &rst ixpk= 0, nxpk= 0, iat= 382, 446, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, / # # 44 ILE HA 48 LYS H 3.740 &rst ixpk= 0, nxpk= 0, iat= 382, 454, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 44 ILE HA 48 LYS HA 5.820 &rst ixpk= 0, nxpk= 0, iat= 382, 456, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 44 ILE HA 89 LEU HA 5.810 &rst ixpk= 0, nxpk= 0, iat= 382,1161, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, / # # 44 ILE HA 89 LEU HG 5.800 &rst ixpk= 0, nxpk= 0, iat= 382,1166, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, / # # 44 ILE HA 92 ILE HA 5.830 &rst ixpk= 0, nxpk= 0, iat= 382,1219, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 44 ILE HA 92 ILE HB 3.880 &rst ixpk= 0, nxpk= 0, iat= 382,1221, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 44 ILE HA 93 GLU H 5.420 &rst ixpk= 0, nxpk= 0, iat= 382,1236, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 44 ILE HA 93 GLU HA 4.910 &rst ixpk= 0, nxpk= 0, iat= 382,1238, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 44 ILE HB 45 ARG H 2.710 &rst ixpk= 0, nxpk= 0, iat= 384, 399, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, / # # 44 ILE HB 46 TYR H 5.340 &rst ixpk= 0, nxpk= 0, iat= 384, 423, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 44 ILE HB 47 ALA H 5.550 &rst ixpk= 0, nxpk= 0, iat= 384, 444, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, / # # 44 ILE HB 48 LYS H 5.590 &rst ixpk= 0, nxpk= 0, iat= 384, 454, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 44 ILE HB 93 GLU HA 4.750 &rst ixpk= 0, nxpk= 0, iat= 384,1238, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 45 ARG H 45 ARG HA 2.790 &rst ixpk= 0, nxpk= 0, iat= 399, 401, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 45 ARG H 46 TYR H 2.830 &rst ixpk= 0, nxpk= 0, iat= 399, 423, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, / # # 45 ARG H 46 TYR HA 5.400 &rst ixpk= 0, nxpk= 0, iat= 399, 425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 45 ARG H 47 ALA H 4.000 &rst ixpk= 0, nxpk= 0, iat= 399, 444, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 45 ARG H 48 LYS H 4.820 &rst ixpk= 0, nxpk= 0, iat= 399, 454, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 45 ARG HA 45 ARG HE 5.350 &rst ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 45 ARG HA 46 TYR H 3.560 &rst ixpk= 0, nxpk= 0, iat= 401, 423, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, / # # 45 ARG HA 46 TYR HA 4.700 &rst ixpk= 0, nxpk= 0, iat= 401, 425, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 45 ARG HA 47 ALA H 4.640 &rst ixpk= 0, nxpk= 0, iat= 401, 444, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 45 ARG HA 48 LYS H 4.010 &rst ixpk= 0, nxpk= 0, iat= 401, 454, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 45 ARG HA 49 TRP H 4.570 &rst ixpk= 0, nxpk= 0, iat= 401, 476, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 45 ARG HE 46 TYR H 5.500 &rst ixpk= 0, nxpk= 0, iat= 412, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 45 ARG HE 46 TYR HH 4.150 &rst ixpk= 0, nxpk= 0, iat= 412, 436, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 46 TYR H 46 TYR HA 2.860 &rst ixpk= 0, nxpk= 0, iat= 423, 425, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, / # # 46 TYR H 47 ALA H 2.510 &rst ixpk= 0, nxpk= 0, iat= 423, 444, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01, / # # 46 TYR H 49 TRP H 4.740 &rst ixpk= 0, nxpk= 0, iat= 423, 476, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 46 TYR H 98 TYR HH 4.860 &rst ixpk= 0, nxpk= 0, iat= 423,1321, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 46 TYR HA 47 ALA H 3.520 &rst ixpk= 0, nxpk= 0, iat= 425, 444, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 46 TYR HA 47 ALA HA 4.860 &rst ixpk= 0, nxpk= 0, iat= 425, 446, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 46 TYR HA 48 LYS H 4.290 &rst ixpk= 0, nxpk= 0, iat= 425, 454, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 46 TYR HA 49 TRP HA 5.010 &rst ixpk= 0, nxpk= 0, iat= 425, 478, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 46 TYR HA 50 PHE H 4.300 &rst ixpk= 0, nxpk= 0, iat= 425, 500, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 46 TYR HA 98 TYR HH 4.550 &rst ixpk= 0, nxpk= 0, iat= 425,1321, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 46 TYR HH 182 LEU HG 5.100 &rst ixpk= 0, nxpk= 0, iat= 436,2628, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 46 TYR HH 208 THR HA 4.880 &rst ixpk= 0, nxpk= 0, iat= 436,3021, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 46 TYR HH 208 THR HB 5.570 &rst ixpk= 0, nxpk= 0, iat= 436,3023, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, / # # 46 TYR HH 209 LEU H 4.300 &rst ixpk= 0, nxpk= 0, iat= 436,3033, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 46 TYR HH 209 LEU HG 3.540 &rst ixpk= 0, nxpk= 0, iat= 436,3040, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 47 ALA H 47 ALA HA 2.770 &rst ixpk= 0, nxpk= 0, iat= 444, 446, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 47 ALA H 48 LYS H 2.810 &rst ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 47 ALA H 48 LYS HA 5.390 &rst ixpk= 0, nxpk= 0, iat= 444, 456, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 47 ALA H 49 TRP H 4.090 &rst ixpk= 0, nxpk= 0, iat= 444, 476, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 47 ALA H 50 PHE H 4.970 &rst ixpk= 0, nxpk= 0, iat= 444, 500, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 47 ALA H 98 TYR HH 3.620 &rst ixpk= 0, nxpk= 0, iat= 444,1321, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 47 ALA HA 48 LYS H 3.540 &rst ixpk= 0, nxpk= 0, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 47 ALA HA 48 LYS HA 4.730 &rst ixpk= 0, nxpk= 0, iat= 446, 456, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 47 ALA HA 49 TRP H 4.470 &rst ixpk= 0, nxpk= 0, iat= 446, 476, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 47 ALA HA 50 PHE H 3.780 &rst ixpk= 0, nxpk= 0, iat= 446, 500, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, / # # 47 ALA HA 50 PHE HA 5.960 &rst ixpk= 0, nxpk= 0, iat= 446, 502, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 47 ALA HA 51 LEU H 4.550 &rst ixpk= 0, nxpk= 0, iat= 446, 520, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 47 ALA HA 51 LEU HG 4.770 &rst ixpk= 0, nxpk= 0, iat= 446, 527, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 47 ALA HA 57 ILE HB 5.420 &rst ixpk= 0, nxpk= 0, iat= 446, 616, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 47 ALA HA 98 TYR HH 3.470 &rst ixpk= 0, nxpk= 0, iat= 446,1321, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 47 ALA HA 182 LEU H 5.860 &rst ixpk= 0, nxpk= 0, iat= 446,2621, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 48 LYS H 48 LYS HA 2.850 &rst ixpk= 0, nxpk= 0, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 48 LYS H 49 TRP H 2.520 &rst ixpk= 0, nxpk= 0, iat= 454, 476, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, / # # 48 LYS H 50 PHE H 4.100 &rst ixpk= 0, nxpk= 0, iat= 454, 500, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 48 LYS H 51 LEU H 5.040 &rst ixpk= 0, nxpk= 0, iat= 454, 520, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 48 LYS H 51 LEU HG 5.690 &rst ixpk= 0, nxpk= 0, iat= 454, 527, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, / # # 48 LYS H 89 LEU HG 4.800 &rst ixpk= 0, nxpk= 0, iat= 454,1166, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 48 LYS H 98 TYR HH 5.850 &rst ixpk= 0, nxpk= 0, iat= 454,1321, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, / # # 48 LYS HA 49 TRP H 3.520 &rst ixpk= 0, nxpk= 0, iat= 456, 476, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 48 LYS HA 49 TRP HA 4.830 &rst ixpk= 0, nxpk= 0, iat= 456, 478, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 48 LYS HA 50 PHE H 4.370 &rst ixpk= 0, nxpk= 0, iat= 456, 500, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 48 LYS HA 51 LEU H 3.450 &rst ixpk= 0, nxpk= 0, iat= 456, 520, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, / # # 48 LYS HA 51 LEU HA 5.470 &rst ixpk= 0, nxpk= 0, iat= 456, 522, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 48 LYS HA 51 LEU HG 3.870 &rst ixpk= 0, nxpk= 0, iat= 456, 527, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 48 LYS HA 52 GLU H 4.000 &rst ixpk= 0, nxpk= 0, iat= 456, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 48 LYS HA 89 LEU HA 5.380 &rst ixpk= 0, nxpk= 0, iat= 456,1161, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 48 LYS HA 89 LEU HG 3.140 &rst ixpk= 0, nxpk= 0, iat= 456,1166, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, / # # 48 LYS HZ1 48 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat= 470, 471, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 48 LYS HZ1 48 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat= 470, 472, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 48 LYS HZ2 48 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat= 471, 472, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 49 TRP H 49 TRP HA 2.790 &rst ixpk= 0, nxpk= 0, iat= 476, 478, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 49 TRP H 50 PHE H 2.700 &rst ixpk= 0, nxpk= 0, iat= 476, 500, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, / # # 49 TRP H 50 PHE HA 5.300 &rst ixpk= 0, nxpk= 0, iat= 476, 502, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 49 TRP H 51 LEU H 4.520 &rst ixpk= 0, nxpk= 0, iat= 476, 520, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 49 TRP H 52 GLU H 4.860 &rst ixpk= 0, nxpk= 0, iat= 476, 539, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 49 TRP HA 50 PHE H 3.510 &rst ixpk= 0, nxpk= 0, iat= 478, 500, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, / # # 49 TRP HA 50 PHE HA 4.740 &rst ixpk= 0, nxpk= 0, iat= 478, 502, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 49 TRP HA 51 LEU H 4.920 &rst ixpk= 0, nxpk= 0, iat= 478, 520, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 49 TRP HA 52 GLU H 3.790 &rst ixpk= 0, nxpk= 0, iat= 478, 539, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, / # # 49 TRP HA 52 GLU HA 5.710 &rst ixpk= 0, nxpk= 0, iat= 478, 541, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, / # # 49 TRP HA 53 HID H 4.690 &rst ixpk= 0, nxpk= 0, iat= 478, 554, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 49 TRP HZ3 49 TRP HZ2 4.270 &rst ixpk= 0, nxpk= 0, iat= 493, 489, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 49 TRP HZ3 49 TRP HH2 2.440 &rst ixpk= 0, nxpk= 0, iat= 493, 491, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94, / # # 49 TRP HZ3 50 PHE H 5.300 &rst ixpk= 0, nxpk= 0, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 49 TRP HZ3 50 PHE HA 3.890 &rst ixpk= 0, nxpk= 0, iat= 493, 502, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 49 TRP HZ2 49 TRP HH2 2.460 &rst ixpk= 0, nxpk= 0, iat= 489, 491, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, / # # 49 TRP HH2 50 PHE HA 5.400 &rst ixpk= 0, nxpk= 0, iat= 491, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 49 TRP HH2 50 PHE HZ 5.000 &rst ixpk= 0, nxpk= 0, iat= 491, 512, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 50 PHE H 50 PHE HA 2.850 &rst ixpk= 0, nxpk= 0, iat= 500, 502, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 50 PHE H 51 LEU H 2.670 &rst ixpk= 0, nxpk= 0, iat= 500, 520, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, / # # 50 PHE H 51 LEU HA 5.260 &rst ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, / # # 50 PHE H 51 LEU HG 4.690 &rst ixpk= 0, nxpk= 0, iat= 500, 527, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 50 PHE H 52 GLU H 3.930 &rst ixpk= 0, nxpk= 0, iat= 500, 539, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 50 PHE H 53 HID H 4.730 &rst ixpk= 0, nxpk= 0, iat= 500, 554, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 50 PHE HA 50 PHE HZ 5.680 &rst ixpk= 0, nxpk= 0, iat= 502, 512, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, / # # 50 PHE HA 51 LEU H 3.570 &rst ixpk= 0, nxpk= 0, iat= 502, 520, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 50 PHE HA 51 LEU HA 4.830 &rst ixpk= 0, nxpk= 0, iat= 502, 522, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 50 PHE HA 51 LEU HG 5.650 &rst ixpk= 0, nxpk= 0, iat= 502, 527, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 50 PHE HA 52 GLU H 4.270 &rst ixpk= 0, nxpk= 0, iat= 502, 539, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 50 PHE HA 53 HID H 3.370 &rst ixpk= 0, nxpk= 0, iat= 502, 554, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, / # # 50 PHE HA 53 HID HA 5.440 &rst ixpk= 0, nxpk= 0, iat= 502, 556, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, / # # 50 PHE HA 54 GLY H 5.660 &rst ixpk= 0, nxpk= 0, iat= 502, 571, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 50 PHE HA 55 PHE H 4.390 &rst ixpk= 0, nxpk= 0, iat= 502, 578, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 50 PHE HA 55 PHE HA 5.980 &rst ixpk= 0, nxpk= 0, iat= 502, 580, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 50 PHE HZ 98 TYR HH 5.180 &rst ixpk= 0, nxpk= 0, iat= 512,1321, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 50 PHE HZ 147 TYR HH 4.710 &rst ixpk= 0, nxpk= 0, iat= 512,2083, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 50 PHE HZ 182 LEU H 4.830 &rst ixpk= 0, nxpk= 0, iat= 512,2621, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 51 LEU H 51 LEU HA 2.770 &rst ixpk= 0, nxpk= 0, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 51 LEU H 51 LEU HG 2.360 &rst ixpk= 0, nxpk= 0, iat= 520, 527, r1= 1.30, r2= 1.80, r3= 2.36, r4= 2.86, / # # 51 LEU H 52 GLU H 2.780 &rst ixpk= 0, nxpk= 0, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, / # # 51 LEU H 52 GLU HA 5.370 &rst ixpk= 0, nxpk= 0, iat= 520, 541, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 51 LEU H 53 HID H 4.030 &rst ixpk= 0, nxpk= 0, iat= 520, 554, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 51 LEU H 54 GLY H 5.750 &rst ixpk= 0, nxpk= 0, iat= 520, 571, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 51 LEU H 55 PHE H 4.820 &rst ixpk= 0, nxpk= 0, iat= 520, 578, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 51 LEU H 89 LEU HG 5.530 &rst ixpk= 0, nxpk= 0, iat= 520,1166, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 51 LEU HA 51 LEU HG 2.900 &rst ixpk= 0, nxpk= 0, iat= 522, 527, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 51 LEU HA 52 GLU H 3.520 &rst ixpk= 0, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 51 LEU HA 52 GLU HA 4.760 &rst ixpk= 0, nxpk= 0, iat= 522, 541, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 51 LEU HA 53 HID H 3.940 &rst ixpk= 0, nxpk= 0, iat= 522, 554, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, / # # 51 LEU HA 54 GLY H 4.140 &rst ixpk= 0, nxpk= 0, iat= 522, 571, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, / # # 51 LEU HA 55 PHE HA 5.170 &rst ixpk= 0, nxpk= 0, iat= 522, 580, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 51 LEU HA 56 ASN H 5.590 &rst ixpk= 0, nxpk= 0, iat= 522, 598, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 51 LEU HA 56 ASN HA 4.550 &rst ixpk= 0, nxpk= 0, iat= 522, 600, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 51 LEU HA 57 ILE H 5.170 &rst ixpk= 0, nxpk= 0, iat= 522, 612, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 51 LEU HA 85 LYS HA 5.830 &rst ixpk= 0, nxpk= 0, iat= 522,1078, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 51 LEU HA 85 LYS HZ1 3.340 &rst ixpk= 0, nxpk= 0, iat= 522,1092, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, / # # 51 LEU HA 85 LYS HZ2 2.870 &rst ixpk= 0, nxpk= 0, iat= 522,1093, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, / # # 51 LEU HA 85 LYS HZ3 3.040 &rst ixpk= 0, nxpk= 0, iat= 522,1094, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, / # # 51 LEU HG 52 GLU H 4.530 &rst ixpk= 0, nxpk= 0, iat= 527, 539, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 51 LEU HG 53 HID H 5.950 &rst ixpk= 0, nxpk= 0, iat= 527, 554, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, / # # 51 LEU HG 55 PHE H 5.770 &rst ixpk= 0, nxpk= 0, iat= 527, 578, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 51 LEU HG 56 ASN HA 5.520 &rst ixpk= 0, nxpk= 0, iat= 527, 600, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, / # # 51 LEU HG 57 ILE H 4.890 &rst ixpk= 0, nxpk= 0, iat= 527, 612, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 51 LEU HG 57 ILE HB 4.870 &rst ixpk= 0, nxpk= 0, iat= 527, 616, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 51 LEU HG 85 LYS HA 5.150 &rst ixpk= 0, nxpk= 0, iat= 527,1078, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 51 LEU HG 85 LYS HZ3 5.580 &rst ixpk= 0, nxpk= 0, iat= 527,1094, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, / # # 51 LEU HG 89 LEU HA 5.430 &rst ixpk= 0, nxpk= 0, iat= 527,1161, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 51 LEU HG 89 LEU HG 4.410 &rst ixpk= 0, nxpk= 0, iat= 527,1166, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 52 GLU H 52 GLU HA 2.840 &rst ixpk= 0, nxpk= 0, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 52 GLU H 53 HID H 2.540 &rst ixpk= 0, nxpk= 0, iat= 539, 554, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, / # # 52 GLU H 53 HID HA 5.180 &rst ixpk= 0, nxpk= 0, iat= 539, 556, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 52 GLU H 54 GLY H 4.320 &rst ixpk= 0, nxpk= 0, iat= 539, 571, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 52 GLU H 55 PHE H 4.820 &rst ixpk= 0, nxpk= 0, iat= 539, 578, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 52 GLU H 85 LYS HZ3 5.630 &rst ixpk= 0, nxpk= 0, iat= 539,1094, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, / # # 52 GLU HA 53 HID H 3.450 &rst ixpk= 0, nxpk= 0, iat= 541, 554, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, / # # 52 GLU HA 53 HID HA 4.640 &rst ixpk= 0, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 52 GLU HA 54 GLY H 3.470 &rst ixpk= 0, nxpk= 0, iat= 541, 571, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 52 GLU HA 55 PHE H 5.400 &rst ixpk= 0, nxpk= 0, iat= 541, 578, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 52 GLU HA 85 LYS HZ2 4.980 &rst ixpk= 0, nxpk= 0, iat= 541,1093, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 52 GLU HA 85 LYS HZ3 5.620 &rst ixpk= 0, nxpk= 0, iat= 541,1094, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 53 HID H 53 HID HA 2.920 &rst ixpk= 0, nxpk= 0, iat= 554, 556, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, / # # 53 HID H 54 GLY H 2.770 &rst ixpk= 0, nxpk= 0, iat= 554, 571, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 53 HID H 55 PHE H 3.270 &rst ixpk= 0, nxpk= 0, iat= 554, 578, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, / # # 53 HID H 85 LYS HZ1 5.630 &rst ixpk= 0, nxpk= 0, iat= 554,1092, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, / # # 53 HID H 85 LYS HZ2 5.450 &rst ixpk= 0, nxpk= 0, iat= 554,1093, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 53 HID H 85 LYS HZ3 5.430 &rst ixpk= 0, nxpk= 0, iat= 554,1094, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 53 HID HA 54 GLY H 3.000 &rst ixpk= 0, nxpk= 0, iat= 556, 571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 53 HID HA 55 PHE H 4.470 &rst ixpk= 0, nxpk= 0, iat= 556, 578, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 53 HID HA 105 LYS HZ1 5.390 &rst ixpk= 0, nxpk= 0, iat= 556,1419, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 53 HID HA 105 LYS HZ2 5.410 &rst ixpk= 0, nxpk= 0, iat= 556,1420, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 53 HID HA 105 LYS HZ3 5.450 &rst ixpk= 0, nxpk= 0, iat= 556,1421, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 54 GLY H 55 PHE H 2.680 &rst ixpk= 0, nxpk= 0, iat= 571, 578, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, / # # 54 GLY H 55 PHE HA 5.300 &rst ixpk= 0, nxpk= 0, iat= 571, 580, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 54 GLY H 85 LYS HZ1 4.100 &rst ixpk= 0, nxpk= 0, iat= 571,1092, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 54 GLY H 85 LYS HZ2 3.590 &rst ixpk= 0, nxpk= 0, iat= 571,1093, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, / # # 54 GLY H 85 LYS HZ3 4.300 &rst ixpk= 0, nxpk= 0, iat= 571,1094, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 54 GLY H 105 LYS HZ2 5.370 &rst ixpk= 0, nxpk= 0, iat= 571,1420, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 54 GLY H 105 LYS HZ3 5.370 &rst ixpk= 0, nxpk= 0, iat= 571,1421, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 55 PHE H 55 PHE HA 2.930 &rst ixpk= 0, nxpk= 0, iat= 578, 580, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 55 PHE H 56 ASN H 4.420 &rst ixpk= 0, nxpk= 0, iat= 578, 598, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 55 PHE H 85 LYS HZ1 3.770 &rst ixpk= 0, nxpk= 0, iat= 578,1092, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 55 PHE H 85 LYS HZ2 3.720 &rst ixpk= 0, nxpk= 0, iat= 578,1093, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 55 PHE H 85 LYS HZ3 3.910 &rst ixpk= 0, nxpk= 0, iat= 578,1094, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 55 PHE H 105 LYS HZ1 4.430 &rst ixpk= 0, nxpk= 0, iat= 578,1419, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 55 PHE H 105 LYS HZ2 4.570 &rst ixpk= 0, nxpk= 0, iat= 578,1420, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 55 PHE H 105 LYS HZ3 4.700 &rst ixpk= 0, nxpk= 0, iat= 578,1421, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 55 PHE HA 55 PHE HZ 5.700 &rst ixpk= 0, nxpk= 0, iat= 580, 590, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, / # # 55 PHE HA 56 ASN H 2.140 &rst ixpk= 0, nxpk= 0, iat= 580, 598, r1= 1.30, r2= 1.80, r3= 2.14, r4= 2.64, / # # 55 PHE HA 56 ASN HA 4.370 &rst ixpk= 0, nxpk= 0, iat= 580, 600, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 55 PHE HA 85 LYS HZ1 5.150 &rst ixpk= 0, nxpk= 0, iat= 580,1092, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 55 PHE HA 105 LYS HZ1 3.680 &rst ixpk= 0, nxpk= 0, iat= 580,1419, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 55 PHE HA 105 LYS HZ2 4.090 &rst ixpk= 0, nxpk= 0, iat= 580,1420, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 55 PHE HA 105 LYS HZ3 3.980 &rst ixpk= 0, nxpk= 0, iat= 580,1421, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 55 PHE HZ 105 LYS HZ1 4.790 &rst ixpk= 0, nxpk= 0, iat= 590,1419, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 55 PHE HZ 105 LYS HZ2 4.240 &rst ixpk= 0, nxpk= 0, iat= 590,1420, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 55 PHE HZ 105 LYS HZ3 4.400 &rst ixpk= 0, nxpk= 0, iat= 590,1421, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 55 PHE HZ 107 LEU HA 5.370 &rst ixpk= 0, nxpk= 0, iat= 590,1434, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 55 PHE HZ 149 LEU HG 3.950 &rst ixpk= 0, nxpk= 0, iat= 590,2114, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, / # # 56 ASN H 56 ASN HA 2.860 &rst ixpk= 0, nxpk= 0, iat= 598, 600, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, / # # 56 ASN H 57 ILE H 4.580 &rst ixpk= 0, nxpk= 0, iat= 598, 612, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, / # # 56 ASN H 57 ILE HA 5.410 &rst ixpk= 0, nxpk= 0, iat= 598, 614, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 56 ASN H 80 PRO HA 5.910 &rst ixpk= 0, nxpk= 0, iat= 598,1019, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 56 ASN H 85 LYS HZ1 5.200 &rst ixpk= 0, nxpk= 0, iat= 598,1092, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 56 ASN H 85 LYS HZ2 5.620 &rst ixpk= 0, nxpk= 0, iat= 598,1093, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 56 ASN H 85 LYS HZ3 5.260 &rst ixpk= 0, nxpk= 0, iat= 598,1094, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, / # # 56 ASN H 105 LYS HZ1 5.630 &rst ixpk= 0, nxpk= 0, iat= 598,1419, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, / # # 56 ASN HA 57 ILE H 2.180 &rst ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 2.18, r4= 2.68, / # # 56 ASN HA 57 ILE HA 4.410 &rst ixpk= 0, nxpk= 0, iat= 600, 614, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 56 ASN HA 57 ILE HB 5.670 &rst ixpk= 0, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, / # # 56 ASN HA 80 PRO HA 4.430 &rst ixpk= 0, nxpk= 0, iat= 600,1019, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 56 ASN HA 81 SER H 5.740 &rst ixpk= 0, nxpk= 0, iat= 600,1023, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, / # # 56 ASN HA 85 LYS HA 5.980 &rst ixpk= 0, nxpk= 0, iat= 600,1078, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 56 ASN HA 85 LYS HZ1 4.040 &rst ixpk= 0, nxpk= 0, iat= 600,1092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 56 ASN HA 85 LYS HZ2 4.740 &rst ixpk= 0, nxpk= 0, iat= 600,1093, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 56 ASN HA 85 LYS HZ3 3.990 &rst ixpk= 0, nxpk= 0, iat= 600,1094, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 57 ILE H 57 ILE HA 2.940 &rst ixpk= 0, nxpk= 0, iat= 612, 614, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 57 ILE H 57 ILE HB 3.840 &rst ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 57 ILE H 58 ILE H 4.460 &rst ixpk= 0, nxpk= 0, iat= 612, 631, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 57 ILE H 58 ILE HA 4.870 &rst ixpk= 0, nxpk= 0, iat= 612, 633, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 57 ILE H 85 LYS HA 5.400 &rst ixpk= 0, nxpk= 0, iat= 612,1078, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 57 ILE H 85 LYS HZ3 5.540 &rst ixpk= 0, nxpk= 0, iat= 612,1094, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, / # # 57 ILE H 100 ILE HA 5.900 &rst ixpk= 0, nxpk= 0, iat= 612,1341, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 57 ILE HA 57 ILE HB 2.410 &rst ixpk= 0, nxpk= 0, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 2.41, r4= 2.91, / # # 57 ILE HA 58 ILE H 2.360 &rst ixpk= 0, nxpk= 0, iat= 614, 631, r1= 1.30, r2= 1.80, r3= 2.36, r4= 2.86, / # # 57 ILE HA 58 ILE HA 4.440 &rst ixpk= 0, nxpk= 0, iat= 614, 633, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 57 ILE HA 58 ILE HB 5.660 &rst ixpk= 0, nxpk= 0, iat= 614, 635, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 57 ILE HA 99 ALA H 4.530 &rst ixpk= 0, nxpk= 0, iat= 614,1329, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 57 ILE HA 99 ALA HA 5.880 &rst ixpk= 0, nxpk= 0, iat= 614,1331, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, / # # 57 ILE HA 100 ILE H 5.540 &rst ixpk= 0, nxpk= 0, iat= 614,1339, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, / # # 57 ILE HA 100 ILE HA 3.170 &rst ixpk= 0, nxpk= 0, iat= 614,1341, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, / # # 57 ILE HB 58 ILE H 2.500 &rst ixpk= 0, nxpk= 0, iat= 616, 631, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, / # # 57 ILE HB 58 ILE HA 4.520 &rst ixpk= 0, nxpk= 0, iat= 616, 633, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 57 ILE HB 59 PRO HA 5.650 &rst ixpk= 0, nxpk= 0, iat= 616, 660, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 57 ILE HB 98 TYR HA 4.650 &rst ixpk= 0, nxpk= 0, iat= 616,1310, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 57 ILE HB 99 ALA H 3.680 &rst ixpk= 0, nxpk= 0, iat= 616,1329, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 57 ILE HB 99 ALA HA 5.370 &rst ixpk= 0, nxpk= 0, iat= 616,1331, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 57 ILE HB 100 ILE H 5.970 &rst ixpk= 0, nxpk= 0, iat= 616,1339, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 57 ILE HB 100 ILE HA 4.440 &rst ixpk= 0, nxpk= 0, iat= 616,1341, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 58 ILE H 58 ILE HA 2.940 &rst ixpk= 0, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 58 ILE H 58 ILE HB 3.800 &rst ixpk= 0, nxpk= 0, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 58 ILE H 59 PRO HA 4.990 &rst ixpk= 0, nxpk= 0, iat= 631, 660, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 58 ILE H 60 ILE H 5.980 &rst ixpk= 0, nxpk= 0, iat= 631, 664, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 58 ILE H 99 ALA H 2.660 &rst ixpk= 0, nxpk= 0, iat= 631,1329, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, / # # 58 ILE H 99 ALA HA 4.920 &rst ixpk= 0, nxpk= 0, iat= 631,1331, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 58 ILE H 100 ILE H 5.340 &rst ixpk= 0, nxpk= 0, iat= 631,1339, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 58 ILE H 100 ILE HA 4.140 &rst ixpk= 0, nxpk= 0, iat= 631,1341, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, / # # 58 ILE HA 58 ILE HB 2.500 &rst ixpk= 0, nxpk= 0, iat= 633, 635, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, / # # 58 ILE HA 59 PRO HA 4.420 &rst ixpk= 0, nxpk= 0, iat= 633, 660, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 58 ILE HA 60 ILE H 5.960 &rst ixpk= 0, nxpk= 0, iat= 633, 664, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 58 ILE HA 69 LEU HG 4.930 &rst ixpk= 0, nxpk= 0, iat= 633, 816, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 58 ILE HA 88 PHE HZ 4.250 &rst ixpk= 0, nxpk= 0, iat= 633,1151, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 58 ILE HA 98 TYR HA 5.270 &rst ixpk= 0, nxpk= 0, iat= 633,1310, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, / # # 58 ILE HA 99 ALA H 4.750 &rst ixpk= 0, nxpk= 0, iat= 633,1329, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 58 ILE HB 59 PRO HA 5.000 &rst ixpk= 0, nxpk= 0, iat= 635, 660, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 58 ILE HB 60 ILE H 5.720 &rst ixpk= 0, nxpk= 0, iat= 635, 664, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, / # # 58 ILE HB 60 ILE HA 5.450 &rst ixpk= 0, nxpk= 0, iat= 635, 666, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 58 ILE HB 67 PRO HA 4.710 &rst ixpk= 0, nxpk= 0, iat= 635, 789, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 58 ILE HB 69 LEU H 4.860 &rst ixpk= 0, nxpk= 0, iat= 635, 809, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 58 ILE HB 72 TRP HA 4.930 &rst ixpk= 0, nxpk= 0, iat= 635, 867, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 58 ILE HB 88 PHE HZ 5.420 &rst ixpk= 0, nxpk= 0, iat= 635,1151, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 58 ILE HB 98 TYR HA 5.570 &rst ixpk= 0, nxpk= 0, iat= 635,1310, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, / # # 58 ILE HB 99 ALA H 4.810 &rst ixpk= 0, nxpk= 0, iat= 635,1329, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 59 PRO HA 60 ILE H 2.150 &rst ixpk= 0, nxpk= 0, iat= 660, 664, r1= 1.30, r2= 1.80, r3= 2.15, r4= 2.65, / # # 59 PRO HA 60 ILE HA 4.400 &rst ixpk= 0, nxpk= 0, iat= 660, 666, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 59 PRO HA 60 ILE HB 4.530 &rst ixpk= 0, nxpk= 0, iat= 660, 668, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 59 PRO HA 61 ASP H 5.860 &rst ixpk= 0, nxpk= 0, iat= 660, 683, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 59 PRO HA 67 PRO HA 5.670 &rst ixpk= 0, nxpk= 0, iat= 660, 789, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, / # # 59 PRO HA 68 VAL H 5.480 &rst ixpk= 0, nxpk= 0, iat= 660, 793, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, / # # 59 PRO HA 88 PHE HA 5.840 &rst ixpk= 0, nxpk= 0, iat= 660,1141, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, / # # 59 PRO HA 92 ILE H 5.790 &rst ixpk= 0, nxpk= 0, iat= 660,1217, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, / # # 59 PRO HA 92 ILE HA 5.420 &rst ixpk= 0, nxpk= 0, iat= 660,1219, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 59 PRO HA 97 ASN H 4.970 &rst ixpk= 0, nxpk= 0, iat= 660,1294, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 59 PRO HA 97 ASN HA 5.420 &rst ixpk= 0, nxpk= 0, iat= 660,1296, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 59 PRO HA 98 TYR H 4.940 &rst ixpk= 0, nxpk= 0, iat= 660,1308, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 59 PRO HA 98 TYR HA 2.640 &rst ixpk= 0, nxpk= 0, iat= 660,1310, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, / # # 59 PRO HA 99 ALA H 4.270 &rst ixpk= 0, nxpk= 0, iat= 660,1329, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 60 ILE H 60 ILE HA 2.940 &rst ixpk= 0, nxpk= 0, iat= 664, 666, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 60 ILE H 60 ILE HB 2.500 &rst ixpk= 0, nxpk= 0, iat= 664, 668, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, / # # 60 ILE H 61 ASP H 4.360 &rst ixpk= 0, nxpk= 0, iat= 664, 683, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 60 ILE H 61 ASP HA 5.010 &rst ixpk= 0, nxpk= 0, iat= 664, 685, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 60 ILE H 67 PRO HA 4.870 &rst ixpk= 0, nxpk= 0, iat= 664, 789, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 60 ILE H 92 ILE HA 5.930 &rst ixpk= 0, nxpk= 0, iat= 664,1219, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, / # # 60 ILE H 96 TYR HA 5.370 &rst ixpk= 0, nxpk= 0, iat= 664,1275, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 60 ILE H 97 ASN H 3.530 &rst ixpk= 0, nxpk= 0, iat= 664,1294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 60 ILE H 97 ASN HA 4.410 &rst ixpk= 0, nxpk= 0, iat= 664,1296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 60 ILE H 98 TYR H 3.930 &rst ixpk= 0, nxpk= 0, iat= 664,1308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 60 ILE H 98 TYR HA 2.520 &rst ixpk= 0, nxpk= 0, iat= 664,1310, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, / # # 60 ILE H 99 ALA H 4.340 &rst ixpk= 0, nxpk= 0, iat= 664,1329, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 60 ILE HA 60 ILE HB 3.010 &rst ixpk= 0, nxpk= 0, iat= 666, 668, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, / # # 60 ILE HA 61 ASP H 2.140 &rst ixpk= 0, nxpk= 0, iat= 666, 683, r1= 1.30, r2= 1.80, r3= 2.14, r4= 2.64, / # # 60 ILE HA 61 ASP HA 4.380 &rst ixpk= 0, nxpk= 0, iat= 666, 685, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 60 ILE HA 67 PRO HA 2.290 &rst ixpk= 0, nxpk= 0, iat= 666, 789, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, / # # 60 ILE HA 68 VAL H 3.290 &rst ixpk= 0, nxpk= 0, iat= 666, 793, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, / # # 60 ILE HA 68 VAL HA 5.570 &rst ixpk= 0, nxpk= 0, iat= 666, 795, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, / # # 60 ILE HA 69 LEU H 5.530 &rst ixpk= 0, nxpk= 0, iat= 666, 809, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 60 ILE HA 97 ASN H 5.060 &rst ixpk= 0, nxpk= 0, iat= 666,1294, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, / # # 60 ILE HA 98 TYR HA 4.900 &rst ixpk= 0, nxpk= 0, iat= 666,1310, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 60 ILE HA 99 ALA H 5.800 &rst ixpk= 0, nxpk= 0, iat= 666,1329, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, / # # 60 ILE HB 61 ASP H 4.300 &rst ixpk= 0, nxpk= 0, iat= 668, 683, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 60 ILE HB 61 ASP HA 5.290 &rst ixpk= 0, nxpk= 0, iat= 668, 685, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 60 ILE HB 62 PRO HA 5.660 &rst ixpk= 0, nxpk= 0, iat= 668, 705, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 60 ILE HB 67 PRO HA 5.060 &rst ixpk= 0, nxpk= 0, iat= 668, 789, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, / # # 60 ILE HB 97 ASN H 3.940 &rst ixpk= 0, nxpk= 0, iat= 668,1294, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, / # # 60 ILE HB 97 ASN HA 4.560 &rst ixpk= 0, nxpk= 0, iat= 668,1296, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 60 ILE HB 98 TYR H 3.570 &rst ixpk= 0, nxpk= 0, iat= 668,1308, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 60 ILE HB 98 TYR HA 3.490 &rst ixpk= 0, nxpk= 0, iat= 668,1310, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 60 ILE HB 99 ALA H 4.630 &rst ixpk= 0, nxpk= 0, iat= 668,1329, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, / # # 60 ILE HB 99 ALA HA 5.580 &rst ixpk= 0, nxpk= 0, iat= 668,1331, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, / # # 60 ILE HB 180 LEU HA 5.490 &rst ixpk= 0, nxpk= 0, iat= 668,2597, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 60 ILE HB 180 LEU HG 5.540 &rst ixpk= 0, nxpk= 0, iat= 668,2602, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, / # # 60 ILE HB 181 GLY H 5.460 &rst ixpk= 0, nxpk= 0, iat= 668,2614, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, / # # 60 ILE HB 184 SER HG 5.410 &rst ixpk= 0, nxpk= 0, iat= 668,2654, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, / # # 61 ASP H 61 ASP HA 2.840 &rst ixpk= 0, nxpk= 0, iat= 683, 685, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 61 ASP H 62 PRO HA 5.540 &rst ixpk= 0, nxpk= 0, iat= 683, 705, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, / # # 61 ASP H 63 GLU H 5.100 &rst ixpk= 0, nxpk= 0, iat= 683, 709, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 61 ASP H 64 SER H 5.240 &rst ixpk= 0, nxpk= 0, iat= 683, 724, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 61 ASP H 67 PRO HA 3.190 &rst ixpk= 0, nxpk= 0, iat= 683, 789, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, / # # 61 ASP H 68 VAL H 3.520 &rst ixpk= 0, nxpk= 0, iat= 683, 793, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 61 ASP H 68 VAL HA 4.700 &rst ixpk= 0, nxpk= 0, iat= 683, 795, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 61 ASP H 68 VAL HB 5.690 &rst ixpk= 0, nxpk= 0, iat= 683, 797, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, / # # 61 ASP H 97 ASN H 5.040 &rst ixpk= 0, nxpk= 0, iat= 683,1294, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 61 ASP HA 62 PRO HA 4.450 &rst ixpk= 0, nxpk= 0, iat= 685, 705, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 61 ASP HA 63 GLU H 3.520 &rst ixpk= 0, nxpk= 0, iat= 685, 709, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 61 ASP HA 64 SER H 5.050 &rst ixpk= 0, nxpk= 0, iat= 685, 724, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 61 ASP HA 67 PRO HA 5.890 &rst ixpk= 0, nxpk= 0, iat= 685, 789, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, / # # 61 ASP HA 68 VAL H 5.570 &rst ixpk= 0, nxpk= 0, iat= 685, 793, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, / # # 61 ASP HA 96 TYR HA 3.860 &rst ixpk= 0, nxpk= 0, iat= 685,1275, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 61 ASP HA 96 TYR HH 5.670 &rst ixpk= 0, nxpk= 0, iat= 685,1286, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, / # # 61 ASP HA 97 ASN H 3.660 &rst ixpk= 0, nxpk= 0, iat= 685,1294, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 62 PRO HA 63 GLU H 3.350 &rst ixpk= 0, nxpk= 0, iat= 705, 709, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, / # # 62 PRO HA 63 GLU HA 4.760 &rst ixpk= 0, nxpk= 0, iat= 705, 711, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 62 PRO HA 64 SER H 4.370 &rst ixpk= 0, nxpk= 0, iat= 705, 724, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 62 PRO HA 64 SER HA 5.900 &rst ixpk= 0, nxpk= 0, iat= 705, 726, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 62 PRO HA 96 TYR HA 5.650 &rst ixpk= 0, nxpk= 0, iat= 705,1275, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 62 PRO HA 97 ASN H 4.860 &rst ixpk= 0, nxpk= 0, iat= 705,1294, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 62 PRO HA 186 VAL HA 5.820 &rst ixpk= 0, nxpk= 0, iat= 705,2670, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 63 GLU H 63 GLU HA 2.850 &rst ixpk= 0, nxpk= 0, iat= 709, 711, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 63 GLU H 64 SER H 2.580 &rst ixpk= 0, nxpk= 0, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, / # # 63 GLU HA 64 SER H 3.550 &rst ixpk= 0, nxpk= 0, iat= 711, 724, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 63 GLU HA 64 SER HA 4.550 &rst ixpk= 0, nxpk= 0, iat= 711, 726, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 64 SER H 64 SER HA 2.940 &rst ixpk= 0, nxpk= 0, iat= 724, 726, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 64 SER H 64 SER HG 4.150 &rst ixpk= 0, nxpk= 0, iat= 724, 731, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 64 SER HA 64 SER HG 3.970 &rst ixpk= 0, nxpk= 0, iat= 726, 731, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, / # # 67 PRO HA 68 VAL H 2.180 &rst ixpk= 0, nxpk= 0, iat= 789, 793, r1= 1.30, r2= 1.80, r3= 2.18, r4= 2.68, / # # 67 PRO HA 68 VAL HA 4.370 &rst ixpk= 0, nxpk= 0, iat= 789, 795, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 67 PRO HA 68 VAL HB 5.710 &rst ixpk= 0, nxpk= 0, iat= 789, 797, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, / # # 67 PRO HA 69 LEU H 3.810 &rst ixpk= 0, nxpk= 0, iat= 789, 809, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 67 PRO HA 69 LEU HG 5.050 &rst ixpk= 0, nxpk= 0, iat= 789, 816, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 68 VAL H 68 VAL HA 2.850 &rst ixpk= 0, nxpk= 0, iat= 793, 795, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 68 VAL H 68 VAL HB 3.630 &rst ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 68 VAL H 69 LEU H 2.490 &rst ixpk= 0, nxpk= 0, iat= 793, 809, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, / # # 68 VAL H 69 LEU HG 3.710 &rst ixpk= 0, nxpk= 0, iat= 793, 816, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 68 VAL HA 68 VAL HB 3.000 &rst ixpk= 0, nxpk= 0, iat= 795, 797, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 68 VAL HA 69 LEU H 3.480 &rst ixpk= 0, nxpk= 0, iat= 795, 809, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, / # # 68 VAL HA 69 LEU HA 4.710 &rst ixpk= 0, nxpk= 0, iat= 795, 811, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 68 VAL HB 69 LEU H 3.990 &rst ixpk= 0, nxpk= 0, iat= 797, 809, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 68 VAL HB 69 LEU HA 4.660 &rst ixpk= 0, nxpk= 0, iat= 797, 811, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 68 VAL HB 69 LEU HG 4.770 &rst ixpk= 0, nxpk= 0, iat= 797, 816, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 69 LEU H 69 LEU HA 2.880 &rst ixpk= 0, nxpk= 0, iat= 809, 811, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, / # # 69 LEU H 69 LEU HG 2.010 &rst ixpk= 0, nxpk= 0, iat= 809, 816, r1= 1.30, r2= 1.80, r3= 2.01, r4= 2.51, / # # 69 LEU H 72 TRP H 5.880 &rst ixpk= 0, nxpk= 0, iat= 809, 865, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, / # # 69 LEU H 72 TRP HA 5.640 &rst ixpk= 0, nxpk= 0, iat= 809, 867, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, / # # 69 LEU HA 71 GLU H 4.660 &rst ixpk= 0, nxpk= 0, iat= 811, 850, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 69 LEU HA 72 TRP H 5.800 &rst ixpk= 0, nxpk= 0, iat= 811, 865, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, / # # 69 LEU HA 72 TRP HA 5.970 &rst ixpk= 0, nxpk= 0, iat= 811, 867, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 69 LEU HG 75 TYR HH 5.420 &rst ixpk= 0, nxpk= 0, iat= 816, 941, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 71 GLU H 71 GLU HA 2.910 &rst ixpk= 0, nxpk= 0, iat= 850, 852, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 71 GLU H 72 TRP H 3.550 &rst ixpk= 0, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 71 GLU H 72 TRP HA 4.810 &rst ixpk= 0, nxpk= 0, iat= 850, 867, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 71 GLU H 74 LYS H 5.730 &rst ixpk= 0, nxpk= 0, iat= 850, 906, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, / # # 71 GLU HA 72 TRP H 2.530 &rst ixpk= 0, nxpk= 0, iat= 852, 865, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, / # # 71 GLU HA 72 TRP HA 4.610 &rst ixpk= 0, nxpk= 0, iat= 852, 867, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 71 GLU HA 74 LYS H 3.980 &rst ixpk= 0, nxpk= 0, iat= 852, 906, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 72 TRP H 72 TRP HA 2.830 &rst ixpk= 0, nxpk= 0, iat= 865, 867, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, / # # 72 TRP H 74 LYS H 4.190 &rst ixpk= 0, nxpk= 0, iat= 865, 906, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, / # # 72 TRP H 75 TYR H 5.450 &rst ixpk= 0, nxpk= 0, iat= 865, 928, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 72 TRP HA 74 LYS H 3.830 &rst ixpk= 0, nxpk= 0, iat= 867, 906, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 72 TRP HA 75 TYR H 3.540 &rst ixpk= 0, nxpk= 0, iat= 867, 928, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 72 TRP HA 75 TYR HA 5.790 &rst ixpk= 0, nxpk= 0, iat= 867, 930, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, / # # 72 TRP HA 75 TYR HH 5.470 &rst ixpk= 0, nxpk= 0, iat= 867, 941, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 72 TRP HA 76 SER H 5.970 &rst ixpk= 0, nxpk= 0, iat= 867, 949, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 72 TRP HZ3 72 TRP HZ2 4.270 &rst ixpk= 0, nxpk= 0, iat= 882, 878, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 72 TRP HZ3 72 TRP HH2 2.440 &rst ixpk= 0, nxpk= 0, iat= 882, 880, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94, / # # 72 TRP HZ3 76 SER H 5.830 &rst ixpk= 0, nxpk= 0, iat= 882, 949, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 72 TRP HZ3 76 SER HG 3.290 &rst ixpk= 0, nxpk= 0, iat= 882, 956, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, / # # 72 TRP HZ3 101 PRO HA 3.860 &rst ixpk= 0, nxpk= 0, iat= 882,1368, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 72 TRP HZ3 102 GLY H 4.470 &rst ixpk= 0, nxpk= 0, iat= 882,1372, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 72 TRP HZ3 175 TYR HA 5.770 &rst ixpk= 0, nxpk= 0, iat= 882,2514, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 72 TRP HZ3 177 SER H 2.860 &rst ixpk= 0, nxpk= 0, iat= 882,2547, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, / # # 72 TRP HZ3 177 SER HA 3.340 &rst ixpk= 0, nxpk= 0, iat= 882,2549, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, / # # 72 TRP HZ3 177 SER HG 5.180 &rst ixpk= 0, nxpk= 0, iat= 882,2554, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 72 TRP HZ3 178 TYR H 4.070 &rst ixpk= 0, nxpk= 0, iat= 882,2558, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 72 TRP HZ2 72 TRP HH2 2.460 &rst ixpk= 0, nxpk= 0, iat= 878, 880, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, / # # 72 TRP HZ2 177 SER H 5.550 &rst ixpk= 0, nxpk= 0, iat= 878,2547, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, / # # 72 TRP HZ2 177 SER HA 4.070 &rst ixpk= 0, nxpk= 0, iat= 878,2549, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 72 TRP HZ2 178 TYR H 5.400 &rst ixpk= 0, nxpk= 0, iat= 878,2558, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 72 TRP HZ2 178 TYR HH 3.550 &rst ixpk= 0, nxpk= 0, iat= 878,2571, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 72 TRP HH2 76 SER HG 4.840 &rst ixpk= 0, nxpk= 0, iat= 880, 956, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 72 TRP HH2 101 PRO HA 5.750 &rst ixpk= 0, nxpk= 0, iat= 880,1368, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 72 TRP HH2 102 GLY H 5.860 &rst ixpk= 0, nxpk= 0, iat= 880,1372, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 72 TRP HH2 177 SER H 3.190 &rst ixpk= 0, nxpk= 0, iat= 880,2547, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, / # # 72 TRP HH2 177 SER HA 1.970 &rst ixpk= 0, nxpk= 0, iat= 880,2549, r1= 1.30, r2= 1.80, r3= 1.97, r4= 2.47, / # # 72 TRP HH2 178 TYR H 3.670 &rst ixpk= 0, nxpk= 0, iat= 880,2558, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, / # # 72 TRP HH2 178 TYR HA 5.280 &rst ixpk= 0, nxpk= 0, iat= 880,2560, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 72 TRP HH2 178 TYR HH 5.070 &rst ixpk= 0, nxpk= 0, iat= 880,2571, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 74 LYS H 74 LYS HA 2.790 &rst ixpk= 0, nxpk= 0, iat= 906, 908, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 74 LYS H 75 TYR H 2.680 &rst ixpk= 0, nxpk= 0, iat= 906, 928, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, / # # 74 LYS H 75 TYR HA 5.280 &rst ixpk= 0, nxpk= 0, iat= 906, 930, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 74 LYS H 76 SER H 4.150 &rst ixpk= 0, nxpk= 0, iat= 906, 949, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 74 LYS H 76 SER HG 5.470 &rst ixpk= 0, nxpk= 0, iat= 906, 956, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 74 LYS H 77 HID H 5.820 &rst ixpk= 0, nxpk= 0, iat= 906, 960, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 74 LYS HA 75 TYR H 3.470 &rst ixpk= 0, nxpk= 0, iat= 908, 928, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 74 LYS HA 75 TYR HA 4.710 &rst ixpk= 0, nxpk= 0, iat= 908, 930, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 74 LYS HA 76 SER H 3.390 &rst ixpk= 0, nxpk= 0, iat= 908, 949, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, / # # 74 LYS HA 77 HID H 3.940 &rst ixpk= 0, nxpk= 0, iat= 908, 960, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, / # # 74 LYS HA 78 GLU H 4.060 &rst ixpk= 0, nxpk= 0, iat= 908, 977, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 74 LYS HZ1 74 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat= 922, 923, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 74 LYS HZ1 74 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat= 922, 924, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 74 LYS HZ1 75 TYR HH 3.500 &rst ixpk= 0, nxpk= 0, iat= 922, 941, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 74 LYS HZ2 74 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat= 923, 924, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 74 LYS HZ2 75 TYR HH 3.630 &rst ixpk= 0, nxpk= 0, iat= 923, 941, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 74 LYS HZ3 75 TYR HH 3.690 &rst ixpk= 0, nxpk= 0, iat= 924, 941, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 75 TYR H 75 TYR HA 2.870 &rst ixpk= 0, nxpk= 0, iat= 928, 930, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, / # # 75 TYR H 76 SER H 2.640 &rst ixpk= 0, nxpk= 0, iat= 928, 949, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, / # # 75 TYR H 76 SER HA 4.990 &rst ixpk= 0, nxpk= 0, iat= 928, 951, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 75 TYR H 76 SER HG 4.780 &rst ixpk= 0, nxpk= 0, iat= 928, 956, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 75 TYR H 77 HID H 4.500 &rst ixpk= 0, nxpk= 0, iat= 928, 960, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 75 TYR H 78 GLU H 5.010 &rst ixpk= 0, nxpk= 0, iat= 928, 977, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 75 TYR HA 76 SER H 3.190 &rst ixpk= 0, nxpk= 0, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, / # # 75 TYR HA 76 SER HA 4.650 &rst ixpk= 0, nxpk= 0, iat= 930, 951, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 75 TYR HA 77 HID H 3.700 &rst ixpk= 0, nxpk= 0, iat= 930, 960, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, / # # 75 TYR HA 77 HID HA 6.000 &rst ixpk= 0, nxpk= 0, iat= 930, 962, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 75 TYR HA 78 GLU H 3.570 &rst ixpk= 0, nxpk= 0, iat= 930, 977, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 75 TYR HA 78 GLU HA 5.260 &rst ixpk= 0, nxpk= 0, iat= 930, 979, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, / # # 75 TYR HA 79 MET H 5.960 &rst ixpk= 0, nxpk= 0, iat= 930, 992, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 75 TYR HH 88 PHE HZ 2.600 &rst ixpk= 0, nxpk= 0, iat= 941,1151, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, / # # 76 SER H 76 SER HA 2.900 &rst ixpk= 0, nxpk= 0, iat= 949, 951, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 76 SER H 76 SER HG 3.240 &rst ixpk= 0, nxpk= 0, iat= 949, 956, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, / # # 76 SER H 77 HID H 2.270 &rst ixpk= 0, nxpk= 0, iat= 949, 960, r1= 1.30, r2= 1.80, r3= 2.27, r4= 2.77, / # # 76 SER H 77 HID HA 4.990 &rst ixpk= 0, nxpk= 0, iat= 949, 962, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 76 SER H 78 GLU H 3.630 &rst ixpk= 0, nxpk= 0, iat= 949, 977, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 76 SER H 175 TYR HA 5.980 &rst ixpk= 0, nxpk= 0, iat= 949,2514, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 76 SER HA 76 SER HG 2.900 &rst ixpk= 0, nxpk= 0, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 76 SER HA 77 HID H 3.440 &rst ixpk= 0, nxpk= 0, iat= 951, 960, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, / # # 76 SER HA 77 HID HA 4.510 &rst ixpk= 0, nxpk= 0, iat= 951, 962, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 76 SER HA 101 PRO HA 5.070 &rst ixpk= 0, nxpk= 0, iat= 951,1368, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, / # # 76 SER HA 102 GLY H 5.020 &rst ixpk= 0, nxpk= 0, iat= 951,1372, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 76 SER HA 104 GLN H 3.340 &rst ixpk= 0, nxpk= 0, iat= 951,1386, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, / # # 76 SER HA 104 GLN HA 4.650 &rst ixpk= 0, nxpk= 0, iat= 951,1388, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 76 SER HA 175 TYR HA 4.620 &rst ixpk= 0, nxpk= 0, iat= 951,2514, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, / # # 76 SER HA 177 SER H 5.450 &rst ixpk= 0, nxpk= 0, iat= 951,2547, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 76 SER HG 77 HID H 4.900 &rst ixpk= 0, nxpk= 0, iat= 956, 960, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 76 SER HG 101 PRO HA 4.690 &rst ixpk= 0, nxpk= 0, iat= 956,1368, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 76 SER HG 102 GLY H 4.420 &rst ixpk= 0, nxpk= 0, iat= 956,1372, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 76 SER HG 104 GLN H 5.440 &rst ixpk= 0, nxpk= 0, iat= 956,1386, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, / # # 76 SER HG 177 SER H 3.310 &rst ixpk= 0, nxpk= 0, iat= 956,2547, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 76 SER HG 177 SER HA 5.490 &rst ixpk= 0, nxpk= 0, iat= 956,2549, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 77 HID H 77 HID HA 2.940 &rst ixpk= 0, nxpk= 0, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 77 HID H 78 GLU H 1.900 &rst ixpk= 0, nxpk= 0, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 1.90, r4= 2.40, / # # 77 HID H 78 GLU HA 4.570 &rst ixpk= 0, nxpk= 0, iat= 960, 979, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 77 HID H 104 GLN H 5.560 &rst ixpk= 0, nxpk= 0, iat= 960,1386, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, / # # 77 HID H 104 GLN HA 5.170 &rst ixpk= 0, nxpk= 0, iat= 960,1388, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 77 HID HA 78 GLU H 3.530 &rst ixpk= 0, nxpk= 0, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 77 HID HA 78 GLU HA 4.870 &rst ixpk= 0, nxpk= 0, iat= 962, 979, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 77 HID HA 104 GLN H 4.580 &rst ixpk= 0, nxpk= 0, iat= 962,1386, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, / # # 77 HID HA 104 GLN HA 3.020 &rst ixpk= 0, nxpk= 0, iat= 962,1388, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 77 HID HA 105 LYS H 4.460 &rst ixpk= 0, nxpk= 0, iat= 962,1403, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 77 HID HA 106 GLY H 5.870 &rst ixpk= 0, nxpk= 0, iat= 962,1425, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, / # # 78 GLU H 78 GLU HA 2.760 &rst ixpk= 0, nxpk= 0, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, / # # 78 GLU H 79 MET H 4.650 &rst ixpk= 0, nxpk= 0, iat= 977, 992, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 78 GLU H 79 MET HA 5.650 &rst ixpk= 0, nxpk= 0, iat= 977, 994, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 78 GLU HA 79 MET H 2.320 &rst ixpk= 0, nxpk= 0, iat= 979, 992, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, / # # 78 GLU HA 79 MET HA 4.330 &rst ixpk= 0, nxpk= 0, iat= 979, 994, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 79 MET H 79 MET HA 2.900 &rst ixpk= 0, nxpk= 0, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 79 MET H 80 PRO HA 5.590 &rst ixpk= 0, nxpk= 0, iat= 992,1019, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 79 MET HA 80 PRO HA 4.390 &rst ixpk= 0, nxpk= 0, iat= 994,1019, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 80 PRO HA 81 SER H 2.190 &rst ixpk= 0, nxpk= 0, iat=1019,1023, r1= 1.30, r2= 1.80, r3= 2.19, r4= 2.69, / # # 80 PRO HA 81 SER HA 4.390 &rst ixpk= 0, nxpk= 0, iat=1019,1025, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 80 PRO HA 85 LYS H 5.800 &rst ixpk= 0, nxpk= 0, iat=1019,1076, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, / # # 80 PRO HA 85 LYS HZ1 4.810 &rst ixpk= 0, nxpk= 0, iat=1019,1092, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 80 PRO HA 85 LYS HZ2 5.320 &rst ixpk= 0, nxpk= 0, iat=1019,1093, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, / # # 80 PRO HA 85 LYS HZ3 4.690 &rst ixpk= 0, nxpk= 0, iat=1019,1094, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 81 SER H 81 SER HA 2.940 &rst ixpk= 0, nxpk= 0, iat=1023,1025, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 81 SER H 81 SER HG 4.450 &rst ixpk= 0, nxpk= 0, iat=1023,1030, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 81 SER H 82 ASP H 4.420 &rst ixpk= 0, nxpk= 0, iat=1023,1034, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 81 SER H 82 ASP HA 5.180 &rst ixpk= 0, nxpk= 0, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 81 SER H 83 GLU H 5.380 &rst ixpk= 0, nxpk= 0, iat=1023,1046, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, / # # 81 SER H 85 LYS H 3.980 &rst ixpk= 0, nxpk= 0, iat=1023,1076, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 81 SER H 85 LYS HA 5.370 &rst ixpk= 0, nxpk= 0, iat=1023,1078, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 81 SER H 85 LYS HZ1 5.450 &rst ixpk= 0, nxpk= 0, iat=1023,1092, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 81 SER H 85 LYS HZ2 5.620 &rst ixpk= 0, nxpk= 0, iat=1023,1093, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 81 SER H 85 LYS HZ3 5.250 &rst ixpk= 0, nxpk= 0, iat=1023,1094, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 81 SER HA 81 SER HG 3.200 &rst ixpk= 0, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, / # # 81 SER HA 82 ASP H 2.150 &rst ixpk= 0, nxpk= 0, iat=1025,1034, r1= 1.30, r2= 1.80, r3= 2.15, r4= 2.65, / # # 81 SER HA 82 ASP HA 4.350 &rst ixpk= 0, nxpk= 0, iat=1025,1036, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 81 SER HA 83 GLU H 3.980 &rst ixpk= 0, nxpk= 0, iat=1025,1046, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 81 SER HA 84 GLU H 4.360 &rst ixpk= 0, nxpk= 0, iat=1025,1061, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 81 SER HA 85 LYS H 5.020 &rst ixpk= 0, nxpk= 0, iat=1025,1076, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 81 SER HG 82 ASP H 3.440 &rst ixpk= 0, nxpk= 0, iat=1030,1034, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, / # # 81 SER HG 82 ASP HA 5.330 &rst ixpk= 0, nxpk= 0, iat=1030,1036, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, / # # 81 SER HG 83 GLU H 2.500 &rst ixpk= 0, nxpk= 0, iat=1030,1046, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, / # # 81 SER HG 83 GLU HA 4.910 &rst ixpk= 0, nxpk= 0, iat=1030,1048, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 81 SER HG 84 GLU H 2.460 &rst ixpk= 0, nxpk= 0, iat=1030,1061, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, / # # 81 SER HG 84 GLU HA 5.200 &rst ixpk= 0, nxpk= 0, iat=1030,1063, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 81 SER HG 85 LYS H 4.780 &rst ixpk= 0, nxpk= 0, iat=1030,1076, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 82 ASP H 82 ASP HA 2.750 &rst ixpk= 0, nxpk= 0, iat=1034,1036, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, / # # 82 ASP H 83 GLU H 2.820 &rst ixpk= 0, nxpk= 0, iat=1034,1046, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 82 ASP H 83 GLU HA 5.400 &rst ixpk= 0, nxpk= 0, iat=1034,1048, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 82 ASP H 84 GLU H 4.310 &rst ixpk= 0, nxpk= 0, iat=1034,1061, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 82 ASP H 85 LYS H 4.740 &rst ixpk= 0, nxpk= 0, iat=1034,1076, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 82 ASP HA 83 GLU H 3.530 &rst ixpk= 0, nxpk= 0, iat=1036,1046, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 82 ASP HA 83 GLU HA 4.750 &rst ixpk= 0, nxpk= 0, iat=1036,1048, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 82 ASP HA 84 GLU H 4.600 &rst ixpk= 0, nxpk= 0, iat=1036,1061, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 82 ASP HA 85 LYS H 3.640 &rst ixpk= 0, nxpk= 0, iat=1036,1076, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, / # # 82 ASP HA 85 LYS HA 5.510 &rst ixpk= 0, nxpk= 0, iat=1036,1078, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 82 ASP HA 85 LYS HZ3 5.910 &rst ixpk= 0, nxpk= 0, iat=1036,1094, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 82 ASP HA 86 GLN H 4.370 &rst ixpk= 0, nxpk= 0, iat=1036,1098, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 83 GLU H 83 GLU HA 2.840 &rst ixpk= 0, nxpk= 0, iat=1046,1048, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 83 GLU H 84 GLU H 2.610 &rst ixpk= 0, nxpk= 0, iat=1046,1061, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, / # # 83 GLU H 85 LYS H 4.020 &rst ixpk= 0, nxpk= 0, iat=1046,1076, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 83 GLU H 86 GLN H 4.950 &rst ixpk= 0, nxpk= 0, iat=1046,1098, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 83 GLU HA 84 GLU H 3.540 &rst ixpk= 0, nxpk= 0, iat=1048,1061, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 83 GLU HA 84 GLU HA 4.780 &rst ixpk= 0, nxpk= 0, iat=1048,1063, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 83 GLU HA 85 LYS H 4.380 &rst ixpk= 0, nxpk= 0, iat=1048,1076, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 83 GLU HA 86 GLN H 3.650 &rst ixpk= 0, nxpk= 0, iat=1048,1098, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 83 GLU HA 86 GLN HA 5.800 &rst ixpk= 0, nxpk= 0, iat=1048,1100, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, / # # 83 GLU HA 87 ARG H 4.350 &rst ixpk= 0, nxpk= 0, iat=1048,1115, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 84 GLU H 84 GLU HA 2.820 &rst ixpk= 0, nxpk= 0, iat=1061,1063, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 84 GLU H 85 LYS H 2.640 &rst ixpk= 0, nxpk= 0, iat=1061,1076, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, / # # 84 GLU H 85 LYS HA 5.240 &rst ixpk= 0, nxpk= 0, iat=1061,1078, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 84 GLU H 86 GLN H 4.320 &rst ixpk= 0, nxpk= 0, iat=1061,1098, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 84 GLU H 87 ARG H 4.960 &rst ixpk= 0, nxpk= 0, iat=1061,1115, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 84 GLU H 88 PHE H 5.900 &rst ixpk= 0, nxpk= 0, iat=1061,1139, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 84 GLU HA 85 LYS H 3.520 &rst ixpk= 0, nxpk= 0, iat=1063,1076, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 84 GLU HA 85 LYS HA 4.830 &rst ixpk= 0, nxpk= 0, iat=1063,1078, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 84 GLU HA 86 GLN H 4.460 &rst ixpk= 0, nxpk= 0, iat=1063,1098, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 84 GLU HA 87 ARG H 3.550 &rst ixpk= 0, nxpk= 0, iat=1063,1115, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 84 GLU HA 87 ARG HA 5.540 &rst ixpk= 0, nxpk= 0, iat=1063,1117, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, / # # 84 GLU HA 87 ARG HE 3.810 &rst ixpk= 0, nxpk= 0, iat=1063,1128, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 84 GLU HA 88 PHE H 3.830 &rst ixpk= 0, nxpk= 0, iat=1063,1139, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 84 GLU HA 88 PHE HA 5.920 &rst ixpk= 0, nxpk= 0, iat=1063,1141, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, / # # 84 GLU HA 88 PHE HZ 5.780 &rst ixpk= 0, nxpk= 0, iat=1063,1151, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, / # # 85 LYS H 85 LYS HA 2.790 &rst ixpk= 0, nxpk= 0, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 85 LYS H 86 GLN H 2.760 &rst ixpk= 0, nxpk= 0, iat=1076,1098, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, / # # 85 LYS H 86 GLN HA 5.350 &rst ixpk= 0, nxpk= 0, iat=1076,1100, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 85 LYS H 87 ARG H 4.340 &rst ixpk= 0, nxpk= 0, iat=1076,1115, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 85 LYS H 88 PHE H 4.650 &rst ixpk= 0, nxpk= 0, iat=1076,1139, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 85 LYS H 89 LEU H 5.910 &rst ixpk= 0, nxpk= 0, iat=1076,1159, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 85 LYS HA 85 LYS HZ3 5.570 &rst ixpk= 0, nxpk= 0, iat=1078,1094, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, / # # 85 LYS HA 86 GLN H 3.550 &rst ixpk= 0, nxpk= 0, iat=1078,1098, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 85 LYS HA 86 GLN HA 4.790 &rst ixpk= 0, nxpk= 0, iat=1078,1100, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 85 LYS HA 87 ARG H 4.720 &rst ixpk= 0, nxpk= 0, iat=1078,1115, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 85 LYS HA 88 PHE H 3.640 &rst ixpk= 0, nxpk= 0, iat=1078,1139, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, / # # 85 LYS HA 88 PHE HA 5.490 &rst ixpk= 0, nxpk= 0, iat=1078,1141, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 85 LYS HA 89 LEU H 3.980 &rst ixpk= 0, nxpk= 0, iat=1078,1159, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 85 LYS HA 89 LEU HA 5.900 &rst ixpk= 0, nxpk= 0, iat=1078,1161, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 85 LYS HA 89 LEU HG 5.900 &rst ixpk= 0, nxpk= 0, iat=1078,1166, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 85 LYS HZ1 85 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat=1092,1093, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 85 LYS HZ1 85 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=1092,1094, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 85 LYS HZ2 85 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=1093,1094, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 86 GLN H 86 GLN HA 2.810 &rst ixpk= 0, nxpk= 0, iat=1098,1100, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 86 GLN H 87 ARG H 2.760 &rst ixpk= 0, nxpk= 0, iat=1098,1115, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, / # # 86 GLN H 87 ARG HA 5.340 &rst ixpk= 0, nxpk= 0, iat=1098,1117, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 86 GLN H 88 PHE H 4.090 &rst ixpk= 0, nxpk= 0, iat=1098,1139, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 86 GLN H 89 LEU H 4.660 &rst ixpk= 0, nxpk= 0, iat=1098,1159, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 86 GLN HA 87 ARG H 3.560 &rst ixpk= 0, nxpk= 0, iat=1100,1115, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, / # # 86 GLN HA 87 ARG HA 4.780 &rst ixpk= 0, nxpk= 0, iat=1100,1117, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 86 GLN HA 88 PHE H 4.490 &rst ixpk= 0, nxpk= 0, iat=1100,1139, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 86 GLN HA 89 LEU H 3.570 &rst ixpk= 0, nxpk= 0, iat=1100,1159, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 86 GLN HA 89 LEU HA 5.530 &rst ixpk= 0, nxpk= 0, iat=1100,1161, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 86 GLN HA 89 LEU HG 5.140 &rst ixpk= 0, nxpk= 0, iat=1100,1166, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, / # # 86 GLN HA 90 LYS H 4.290 &rst ixpk= 0, nxpk= 0, iat=1100,1178, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 87 ARG H 87 ARG HA 2.810 &rst ixpk= 0, nxpk= 0, iat=1115,1117, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 87 ARG H 87 ARG HE 5.530 &rst ixpk= 0, nxpk= 0, iat=1115,1128, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 87 ARG H 88 PHE H 2.690 &rst ixpk= 0, nxpk= 0, iat=1115,1139, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, / # # 87 ARG H 88 PHE HA 5.290 &rst ixpk= 0, nxpk= 0, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 87 ARG H 89 LEU H 4.150 &rst ixpk= 0, nxpk= 0, iat=1115,1159, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 87 ARG H 90 LYS H 4.890 &rst ixpk= 0, nxpk= 0, iat=1115,1178, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 87 ARG HA 88 PHE H 3.540 &rst ixpk= 0, nxpk= 0, iat=1117,1139, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 87 ARG HA 88 PHE HA 4.780 &rst ixpk= 0, nxpk= 0, iat=1117,1141, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 87 ARG HA 89 LEU H 4.390 &rst ixpk= 0, nxpk= 0, iat=1117,1159, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 87 ARG HA 90 LYS H 3.570 &rst ixpk= 0, nxpk= 0, iat=1117,1178, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 87 ARG HA 90 LYS HA 5.580 &rst ixpk= 0, nxpk= 0, iat=1117,1180, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, / # # 87 ARG HA 91 MET H 4.480 &rst ixpk= 0, nxpk= 0, iat=1117,1200, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 87 ARG HE 88 PHE HA 5.590 &rst ixpk= 0, nxpk= 0, iat=1128,1141, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 87 ARG HE 88 PHE HZ 5.180 &rst ixpk= 0, nxpk= 0, iat=1128,1151, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 88 PHE H 88 PHE HA 2.820 &rst ixpk= 0, nxpk= 0, iat=1139,1141, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 88 PHE H 89 LEU H 2.630 &rst ixpk= 0, nxpk= 0, iat=1139,1159, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, / # # 88 PHE H 89 LEU HA 5.250 &rst ixpk= 0, nxpk= 0, iat=1139,1161, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 88 PHE H 91 MET H 5.000 &rst ixpk= 0, nxpk= 0, iat=1139,1200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 88 PHE HA 89 LEU H 3.530 &rst ixpk= 0, nxpk= 0, iat=1141,1159, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 88 PHE HA 89 LEU HA 4.800 &rst ixpk= 0, nxpk= 0, iat=1141,1161, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 88 PHE HA 90 LYS H 4.440 &rst ixpk= 0, nxpk= 0, iat=1141,1178, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 88 PHE HA 91 MET H 3.570 &rst ixpk= 0, nxpk= 0, iat=1141,1200, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 88 PHE HA 91 MET HA 5.600 &rst ixpk= 0, nxpk= 0, iat=1141,1202, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, / # # 88 PHE HA 92 ILE H 4.510 &rst ixpk= 0, nxpk= 0, iat=1141,1217, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 89 LEU H 89 LEU HA 2.810 &rst ixpk= 0, nxpk= 0, iat=1159,1161, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 89 LEU H 89 LEU HG 4.030 &rst ixpk= 0, nxpk= 0, iat=1159,1166, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 89 LEU H 90 LYS H 2.680 &rst ixpk= 0, nxpk= 0, iat=1159,1178, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, / # # 89 LEU H 90 LYS HA 5.280 &rst ixpk= 0, nxpk= 0, iat=1159,1180, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 89 LEU H 91 MET H 4.270 &rst ixpk= 0, nxpk= 0, iat=1159,1200, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 89 LEU H 92 ILE H 5.000 &rst ixpk= 0, nxpk= 0, iat=1159,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 89 LEU H 92 ILE HB 5.720 &rst ixpk= 0, nxpk= 0, iat=1159,1221, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, / # # 89 LEU HA 89 LEU HG 2.610 &rst ixpk= 0, nxpk= 0, iat=1161,1166, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, / # # 89 LEU HA 90 LYS H 3.540 &rst ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 89 LEU HA 90 LYS HA 4.820 &rst ixpk= 0, nxpk= 0, iat=1161,1180, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 89 LEU HA 91 MET H 4.470 &rst ixpk= 0, nxpk= 0, iat=1161,1200, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 89 LEU HA 92 ILE H 3.560 &rst ixpk= 0, nxpk= 0, iat=1161,1217, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, / # # 89 LEU HA 92 ILE HA 5.580 &rst ixpk= 0, nxpk= 0, iat=1161,1219, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, / # # 89 LEU HA 92 ILE HB 3.150 &rst ixpk= 0, nxpk= 0, iat=1161,1221, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, / # # 89 LEU HA 93 GLU H 4.550 &rst ixpk= 0, nxpk= 0, iat=1161,1236, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 89 LEU HG 92 ILE HB 4.860 &rst ixpk= 0, nxpk= 0, iat=1166,1221, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 90 LYS H 90 LYS HA 2.790 &rst ixpk= 0, nxpk= 0, iat=1178,1180, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 90 LYS H 91 MET H 2.770 &rst ixpk= 0, nxpk= 0, iat=1178,1200, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 90 LYS H 91 MET HA 5.350 &rst ixpk= 0, nxpk= 0, iat=1178,1202, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 90 LYS H 92 ILE H 4.340 &rst ixpk= 0, nxpk= 0, iat=1178,1217, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 90 LYS H 92 ILE HB 5.400 &rst ixpk= 0, nxpk= 0, iat=1178,1221, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 90 LYS H 93 GLU H 4.950 &rst ixpk= 0, nxpk= 0, iat=1178,1236, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 90 LYS HA 91 MET H 3.550 &rst ixpk= 0, nxpk= 0, iat=1180,1200, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 90 LYS HA 91 MET HA 4.830 &rst ixpk= 0, nxpk= 0, iat=1180,1202, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 90 LYS HA 92 ILE H 4.520 &rst ixpk= 0, nxpk= 0, iat=1180,1217, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 90 LYS HA 92 ILE HB 5.160 &rst ixpk= 0, nxpk= 0, iat=1180,1221, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, / # # 90 LYS HA 93 GLU H 3.510 &rst ixpk= 0, nxpk= 0, iat=1180,1236, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, / # # 90 LYS HA 93 GLU HA 5.590 &rst ixpk= 0, nxpk= 0, iat=1180,1238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 90 LYS HA 94 GLU H 4.390 &rst ixpk= 0, nxpk= 0, iat=1180,1251, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 90 LYS HZ1 90 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat=1194,1195, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 90 LYS HZ1 90 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=1194,1196, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 90 LYS HZ2 90 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=1195,1196, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 91 MET H 91 MET HA 2.780 &rst ixpk= 0, nxpk= 0, iat=1200,1202, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, / # # 91 MET H 92 ILE H 2.810 &rst ixpk= 0, nxpk= 0, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 91 MET H 92 ILE HA 5.390 &rst ixpk= 0, nxpk= 0, iat=1200,1219, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 91 MET H 92 ILE HB 5.020 &rst ixpk= 0, nxpk= 0, iat=1200,1221, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 91 MET H 94 GLU H 4.720 &rst ixpk= 0, nxpk= 0, iat=1200,1251, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 91 MET HA 92 ILE H 3.550 &rst ixpk= 0, nxpk= 0, iat=1202,1217, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 91 MET HA 92 ILE HA 4.830 &rst ixpk= 0, nxpk= 0, iat=1202,1219, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 91 MET HA 92 ILE HB 5.830 &rst ixpk= 0, nxpk= 0, iat=1202,1221, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 91 MET HA 93 GLU H 4.330 &rst ixpk= 0, nxpk= 0, iat=1202,1236, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 91 MET HA 94 GLU H 3.300 &rst ixpk= 0, nxpk= 0, iat=1202,1251, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, / # # 91 MET HA 94 GLU HA 5.180 &rst ixpk= 0, nxpk= 0, iat=1202,1253, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 91 MET HA 95 GLY H 4.660 &rst ixpk= 0, nxpk= 0, iat=1202,1266, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 91 MET HA 96 TYR H 4.480 &rst ixpk= 0, nxpk= 0, iat=1202,1273, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 92 ILE H 92 ILE HA 2.770 &rst ixpk= 0, nxpk= 0, iat=1217,1219, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 92 ILE H 92 ILE HB 2.590 &rst ixpk= 0, nxpk= 0, iat=1217,1221, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, / # # 92 ILE H 93 GLU H 2.780 &rst ixpk= 0, nxpk= 0, iat=1217,1236, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, / # # 92 ILE H 93 GLU HA 5.370 &rst ixpk= 0, nxpk= 0, iat=1217,1238, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 92 ILE H 94 GLU H 4.080 &rst ixpk= 0, nxpk= 0, iat=1217,1251, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, / # # 92 ILE H 95 GLY H 5.040 &rst ixpk= 0, nxpk= 0, iat=1217,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 92 ILE H 96 TYR H 5.360 &rst ixpk= 0, nxpk= 0, iat=1217,1273, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 92 ILE HA 92 ILE HB 3.020 &rst ixpk= 0, nxpk= 0, iat=1219,1221, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 92 ILE HA 93 GLU H 3.540 &rst ixpk= 0, nxpk= 0, iat=1219,1236, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 92 ILE HA 93 GLU HA 4.750 &rst ixpk= 0, nxpk= 0, iat=1219,1238, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 92 ILE HA 94 GLU H 4.290 &rst ixpk= 0, nxpk= 0, iat=1219,1251, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, / # # 92 ILE HA 95 GLY H 3.640 &rst ixpk= 0, nxpk= 0, iat=1219,1266, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, / # # 92 ILE HA 96 TYR H 3.830 &rst ixpk= 0, nxpk= 0, iat=1219,1273, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, / # # 92 ILE HA 96 TYR HA 4.880 &rst ixpk= 0, nxpk= 0, iat=1219,1275, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 92 ILE HA 97 ASN H 5.040 &rst ixpk= 0, nxpk= 0, iat=1219,1294, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 92 ILE HA 98 TYR H 5.830 &rst ixpk= 0, nxpk= 0, iat=1219,1308, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 92 ILE HB 93 GLU H 2.610 &rst ixpk= 0, nxpk= 0, iat=1221,1236, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, / # # 92 ILE HB 93 GLU HA 4.260 &rst ixpk= 0, nxpk= 0, iat=1221,1238, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, / # # 92 ILE HB 94 GLU H 4.910 &rst ixpk= 0, nxpk= 0, iat=1221,1251, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 92 ILE HB 95 GLY H 5.530 &rst ixpk= 0, nxpk= 0, iat=1221,1266, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 93 GLU H 93 GLU HA 2.840 &rst ixpk= 0, nxpk= 0, iat=1236,1238, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 93 GLU H 94 GLU H 2.540 &rst ixpk= 0, nxpk= 0, iat=1236,1251, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, / # # 93 GLU H 94 GLU HA 5.150 &rst ixpk= 0, nxpk= 0, iat=1236,1253, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 93 GLU H 95 GLY H 4.050 &rst ixpk= 0, nxpk= 0, iat=1236,1266, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, / # # 93 GLU H 96 TYR H 5.500 &rst ixpk= 0, nxpk= 0, iat=1236,1273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 93 GLU HA 94 GLU H 3.500 &rst ixpk= 0, nxpk= 0, iat=1238,1251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 93 GLU HA 94 GLU HA 4.800 &rst ixpk= 0, nxpk= 0, iat=1238,1253, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 93 GLU HA 95 GLY H 3.900 &rst ixpk= 0, nxpk= 0, iat=1238,1266, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 94 GLU H 94 GLU HA 2.820 &rst ixpk= 0, nxpk= 0, iat=1251,1253, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 94 GLU H 95 GLY H 2.610 &rst ixpk= 0, nxpk= 0, iat=1251,1266, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, / # # 94 GLU H 96 TYR H 4.090 &rst ixpk= 0, nxpk= 0, iat=1251,1273, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 94 GLU HA 95 GLY H 3.470 &rst ixpk= 0, nxpk= 0, iat=1253,1266, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 94 GLU HA 96 TYR H 4.920 &rst ixpk= 0, nxpk= 0, iat=1253,1273, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 95 GLY H 96 TYR H 2.250 &rst ixpk= 0, nxpk= 0, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 2.25, r4= 2.75, / # # 95 GLY H 96 TYR HA 4.740 &rst ixpk= 0, nxpk= 0, iat=1266,1275, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 96 TYR H 96 TYR HA 2.790 &rst ixpk= 0, nxpk= 0, iat=1273,1275, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 96 TYR H 97 ASN H 4.640 &rst ixpk= 0, nxpk= 0, iat=1273,1294, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 96 TYR H 97 ASN HA 5.590 &rst ixpk= 0, nxpk= 0, iat=1273,1296, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 96 TYR HA 97 ASN H 2.290 &rst ixpk= 0, nxpk= 0, iat=1275,1294, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, / # # 96 TYR HA 97 ASN HA 4.340 &rst ixpk= 0, nxpk= 0, iat=1275,1296, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 97 ASN H 97 ASN HA 2.910 &rst ixpk= 0, nxpk= 0, iat=1294,1296, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 97 ASN H 98 TYR H 4.500 &rst ixpk= 0, nxpk= 0, iat=1294,1308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 97 ASN HA 98 TYR H 2.610 &rst ixpk= 0, nxpk= 0, iat=1296,1308, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, / # # 97 ASN HA 98 TYR HA 4.560 &rst ixpk= 0, nxpk= 0, iat=1296,1310, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 97 ASN HA 184 SER H 5.990 &rst ixpk= 0, nxpk= 0, iat=1296,2647, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, / # # 97 ASN HA 184 SER HA 4.390 &rst ixpk= 0, nxpk= 0, iat=1296,2649, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 97 ASN HA 184 SER HG 3.730 &rst ixpk= 0, nxpk= 0, iat=1296,2654, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 97 ASN HA 185 CYX H 5.450 &rst ixpk= 0, nxpk= 0, iat=1296,2658, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 98 TYR H 98 TYR HA 2.900 &rst ixpk= 0, nxpk= 0, iat=1308,1310, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 98 TYR H 99 ALA H 4.350 &rst ixpk= 0, nxpk= 0, iat=1308,1329, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 98 TYR H 99 ALA HA 4.720 &rst ixpk= 0, nxpk= 0, iat=1308,1331, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 98 TYR H 180 LEU HA 5.340 &rst ixpk= 0, nxpk= 0, iat=1308,2597, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 98 TYR H 180 LEU HG 5.370 &rst ixpk= 0, nxpk= 0, iat=1308,2602, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 98 TYR H 181 GLY H 4.030 &rst ixpk= 0, nxpk= 0, iat=1308,2614, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 98 TYR H 184 SER H 5.200 &rst ixpk= 0, nxpk= 0, iat=1308,2647, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 98 TYR H 184 SER HA 4.790 &rst ixpk= 0, nxpk= 0, iat=1308,2649, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 98 TYR H 184 SER HG 2.510 &rst ixpk= 0, nxpk= 0, iat=1308,2654, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01, / # # 98 TYR HA 99 ALA H 2.270 &rst ixpk= 0, nxpk= 0, iat=1310,1329, r1= 1.30, r2= 1.80, r3= 2.27, r4= 2.77, / # # 98 TYR HA 99 ALA HA 4.430 &rst ixpk= 0, nxpk= 0, iat=1310,1331, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 98 TYR HA 181 GLY H 5.040 &rst ixpk= 0, nxpk= 0, iat=1310,2614, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 98 TYR HA 184 SER HG 5.260 &rst ixpk= 0, nxpk= 0, iat=1310,2654, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, / # # 98 TYR HH 182 LEU H 2.830 &rst ixpk= 0, nxpk= 0, iat=1321,2621, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, / # # 98 TYR HH 182 LEU HA 4.740 &rst ixpk= 0, nxpk= 0, iat=1321,2623, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 98 TYR HH 183 GLY H 5.640 &rst ixpk= 0, nxpk= 0, iat=1321,2640, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, / # # 98 TYR HH 184 SER H 5.290 &rst ixpk= 0, nxpk= 0, iat=1321,2647, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 98 TYR HH 184 SER HG 5.730 &rst ixpk= 0, nxpk= 0, iat=1321,2654, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, / # # 99 ALA H 99 ALA HA 2.940 &rst ixpk= 0, nxpk= 0, iat=1329,1331, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 99 ALA H 100 ILE H 4.450 &rst ixpk= 0, nxpk= 0, iat=1329,1339, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 99 ALA H 100 ILE HA 4.830 &rst ixpk= 0, nxpk= 0, iat=1329,1341, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 99 ALA H 179 VAL H 5.960 &rst ixpk= 0, nxpk= 0, iat=1329,2579, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 99 ALA H 180 LEU HA 5.400 &rst ixpk= 0, nxpk= 0, iat=1329,2597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 99 ALA H 181 GLY H 4.410 &rst ixpk= 0, nxpk= 0, iat=1329,2614, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 99 ALA HA 100 ILE H 2.430 &rst ixpk= 0, nxpk= 0, iat=1331,1339, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, / # # 99 ALA HA 100 ILE HA 4.410 &rst ixpk= 0, nxpk= 0, iat=1331,1341, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 99 ALA HA 100 ILE HB 4.770 &rst ixpk= 0, nxpk= 0, iat=1331,1343, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 99 ALA HA 179 VAL H 4.270 &rst ixpk= 0, nxpk= 0, iat=1331,2579, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 99 ALA HA 179 VAL HA 5.510 &rst ixpk= 0, nxpk= 0, iat=1331,2581, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 99 ALA HA 179 VAL HB 5.950 &rst ixpk= 0, nxpk= 0, iat=1331,2583, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, / # # 99 ALA HA 180 LEU H 4.960 &rst ixpk= 0, nxpk= 0, iat=1331,2595, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 99 ALA HA 180 LEU HA 3.100 &rst ixpk= 0, nxpk= 0, iat=1331,2597, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, / # # 99 ALA HA 180 LEU HG 5.360 &rst ixpk= 0, nxpk= 0, iat=1331,2602, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 99 ALA HA 181 GLY H 2.070 &rst ixpk= 0, nxpk= 0, iat=1331,2614, r1= 1.30, r2= 1.80, r3= 2.07, r4= 2.57, / # # 99 ALA HA 182 LEU H 5.470 &rst ixpk= 0, nxpk= 0, iat=1331,2621, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 99 ALA HA 184 SER HG 5.010 &rst ixpk= 0, nxpk= 0, iat=1331,2654, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 100 ILE H 100 ILE HA 2.950 &rst ixpk= 0, nxpk= 0, iat=1339,1341, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 100 ILE H 100 ILE HB 2.670 &rst ixpk= 0, nxpk= 0, iat=1339,1343, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, / # # 100 ILE H 101 PRO HA 4.950 &rst ixpk= 0, nxpk= 0, iat=1339,1368, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, / # # 100 ILE H 147 TYR HH 5.420 &rst ixpk= 0, nxpk= 0, iat=1339,2083, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 100 ILE H 178 TYR HA 4.520 &rst ixpk= 0, nxpk= 0, iat=1339,2560, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 100 ILE H 179 VAL H 2.470 &rst ixpk= 0, nxpk= 0, iat=1339,2579, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97, / # # 100 ILE H 179 VAL HA 4.490 &rst ixpk= 0, nxpk= 0, iat=1339,2581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 100 ILE H 179 VAL HB 4.610 &rst ixpk= 0, nxpk= 0, iat=1339,2583, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 100 ILE H 180 LEU H 4.860 &rst ixpk= 0, nxpk= 0, iat=1339,2595, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 100 ILE H 180 LEU HA 4.350 &rst ixpk= 0, nxpk= 0, iat=1339,2597, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 100 ILE H 181 GLY H 4.020 &rst ixpk= 0, nxpk= 0, iat=1339,2614, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 100 ILE HA 100 ILE HB 3.020 &rst ixpk= 0, nxpk= 0, iat=1341,1343, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 100 ILE HA 101 PRO HA 4.510 &rst ixpk= 0, nxpk= 0, iat=1341,1368, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 100 ILE HA 178 TYR HA 5.280 &rst ixpk= 0, nxpk= 0, iat=1341,2560, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 100 ILE HA 179 VAL H 4.450 &rst ixpk= 0, nxpk= 0, iat=1341,2579, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 100 ILE HB 101 PRO HA 5.240 &rst ixpk= 0, nxpk= 0, iat=1343,1368, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 100 ILE HB 107 LEU HG 5.900 &rst ixpk= 0, nxpk= 0, iat=1343,1439, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 100 ILE HB 109 ILE HB 5.660 &rst ixpk= 0, nxpk= 0, iat=1343,1471, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 100 ILE HB 147 TYR HH 4.660 &rst ixpk= 0, nxpk= 0, iat=1343,2083, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 100 ILE HB 178 TYR HA 5.250 &rst ixpk= 0, nxpk= 0, iat=1343,2560, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 100 ILE HB 179 VAL H 3.870 &rst ixpk= 0, nxpk= 0, iat=1343,2579, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 100 ILE HB 179 VAL HA 5.660 &rst ixpk= 0, nxpk= 0, iat=1343,2581, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 100 ILE HB 179 VAL HB 4.700 &rst ixpk= 0, nxpk= 0, iat=1343,2583, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 100 ILE HB 181 GLY H 5.980 &rst ixpk= 0, nxpk= 0, iat=1343,2614, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 101 PRO HA 102 GLY H 2.170 &rst ixpk= 0, nxpk= 0, iat=1368,1372, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67, / # # 101 PRO HA 104 GLN H 5.980 &rst ixpk= 0, nxpk= 0, iat=1368,1386, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 101 PRO HA 177 SER H 4.520 &rst ixpk= 0, nxpk= 0, iat=1368,2547, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 101 PRO HA 177 SER HA 5.350 &rst ixpk= 0, nxpk= 0, iat=1368,2549, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 101 PRO HA 177 SER HG 4.660 &rst ixpk= 0, nxpk= 0, iat=1368,2554, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 101 PRO HA 178 TYR H 4.530 &rst ixpk= 0, nxpk= 0, iat=1368,2558, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 101 PRO HA 178 TYR HA 1.980 &rst ixpk= 0, nxpk= 0, iat=1368,2560, r1= 1.30, r2= 1.80, r3= 1.98, r4= 2.48, / # # 101 PRO HA 179 VAL H 3.710 &rst ixpk= 0, nxpk= 0, iat=1368,2579, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 102 GLY H 103 GLY H 4.590 &rst ixpk= 0, nxpk= 0, iat=1372,1379, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 102 GLY H 104 GLN H 5.000 &rst ixpk= 0, nxpk= 0, iat=1372,1386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 102 GLY H 107 LEU HG 5.790 &rst ixpk= 0, nxpk= 0, iat=1372,1439, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, / # # 102 GLY H 174 SER H 5.170 &rst ixpk= 0, nxpk= 0, iat=1372,2501, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 102 GLY H 174 SER HA 4.180 &rst ixpk= 0, nxpk= 0, iat=1372,2503, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 102 GLY H 175 TYR H 5.690 &rst ixpk= 0, nxpk= 0, iat=1372,2512, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, / # # 102 GLY H 175 TYR HA 4.770 &rst ixpk= 0, nxpk= 0, iat=1372,2514, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 102 GLY H 177 SER H 3.620 &rst ixpk= 0, nxpk= 0, iat=1372,2547, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 102 GLY H 177 SER HA 5.020 &rst ixpk= 0, nxpk= 0, iat=1372,2549, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 102 GLY H 178 TYR H 4.680 &rst ixpk= 0, nxpk= 0, iat=1372,2558, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, / # # 102 GLY H 178 TYR HA 2.920 &rst ixpk= 0, nxpk= 0, iat=1372,2560, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, / # # 102 GLY H 179 VAL H 4.920 &rst ixpk= 0, nxpk= 0, iat=1372,2579, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 103 GLY H 104 GLN H 3.310 &rst ixpk= 0, nxpk= 0, iat=1379,1386, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 103 GLY H 104 GLN HA 5.450 &rst ixpk= 0, nxpk= 0, iat=1379,1388, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 103 GLY H 106 GLY H 5.240 &rst ixpk= 0, nxpk= 0, iat=1379,1425, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 103 GLY H 107 LEU H 3.710 &rst ixpk= 0, nxpk= 0, iat=1379,1432, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 103 GLY H 107 LEU HA 4.820 &rst ixpk= 0, nxpk= 0, iat=1379,1434, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 103 GLY H 107 LEU HG 3.910 &rst ixpk= 0, nxpk= 0, iat=1379,1439, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 103 GLY H 108 VAL H 4.990 &rst ixpk= 0, nxpk= 0, iat=1379,1451, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 103 GLY H 108 VAL HA 3.600 &rst ixpk= 0, nxpk= 0, iat=1379,1453, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, / # # 103 GLY H 108 VAL HB 5.880 &rst ixpk= 0, nxpk= 0, iat=1379,1455, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, / # # 103 GLY H 109 ILE H 5.080 &rst ixpk= 0, nxpk= 0, iat=1379,1467, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, / # # 103 GLY H 153 ILE HB 5.620 &rst ixpk= 0, nxpk= 0, iat=1379,2167, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 103 GLY H 174 SER H 5.860 &rst ixpk= 0, nxpk= 0, iat=1379,2501, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 103 GLY H 174 SER HA 2.960 &rst ixpk= 0, nxpk= 0, iat=1379,2503, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, / # # 103 GLY H 174 SER HG 3.470 &rst ixpk= 0, nxpk= 0, iat=1379,2508, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 103 GLY H 175 TYR H 4.100 &rst ixpk= 0, nxpk= 0, iat=1379,2512, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 103 GLY H 175 TYR HA 4.730 &rst ixpk= 0, nxpk= 0, iat=1379,2514, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 104 GLN H 104 GLN HA 2.750 &rst ixpk= 0, nxpk= 0, iat=1386,1388, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, / # # 104 GLN H 105 LYS H 4.580 &rst ixpk= 0, nxpk= 0, iat=1386,1403, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, / # # 104 GLN H 106 GLY H 4.720 &rst ixpk= 0, nxpk= 0, iat=1386,1425, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 104 GLN H 107 LEU H 4.090 &rst ixpk= 0, nxpk= 0, iat=1386,1432, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 104 GLN H 107 LEU HG 5.600 &rst ixpk= 0, nxpk= 0, iat=1386,1439, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, / # # 104 GLN H 174 SER HA 5.640 &rst ixpk= 0, nxpk= 0, iat=1386,2503, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, / # # 104 GLN H 175 TYR H 5.660 &rst ixpk= 0, nxpk= 0, iat=1386,2512, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 104 GLN H 175 TYR HA 4.610 &rst ixpk= 0, nxpk= 0, iat=1386,2514, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 104 GLN H 175 TYR HH 5.170 &rst ixpk= 0, nxpk= 0, iat=1386,2525, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 104 GLN HA 105 LYS H 2.170 &rst ixpk= 0, nxpk= 0, iat=1388,1403, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67, / # # 104 GLN HA 105 LYS HA 4.370 &rst ixpk= 0, nxpk= 0, iat=1388,1405, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 104 GLN HA 106 GLY H 3.550 &rst ixpk= 0, nxpk= 0, iat=1388,1425, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 104 GLN HA 107 LEU H 4.510 &rst ixpk= 0, nxpk= 0, iat=1388,1432, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 104 GLN HA 175 TYR HH 3.990 &rst ixpk= 0, nxpk= 0, iat=1388,2525, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 105 LYS H 105 LYS HA 2.280 &rst ixpk= 0, nxpk= 0, iat=1403,1405, r1= 1.30, r2= 1.80, r3= 2.28, r4= 2.78, / # # 105 LYS H 106 GLY H 2.780 &rst ixpk= 0, nxpk= 0, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, / # # 105 LYS H 107 LEU H 4.460 &rst ixpk= 0, nxpk= 0, iat=1403,1432, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 105 LYS H 175 TYR HH 4.480 &rst ixpk= 0, nxpk= 0, iat=1403,2525, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 105 LYS HA 106 GLY H 2.910 &rst ixpk= 0, nxpk= 0, iat=1405,1425, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 105 LYS HA 107 LEU H 4.690 &rst ixpk= 0, nxpk= 0, iat=1405,1432, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 105 LYS HA 175 TYR HH 5.660 &rst ixpk= 0, nxpk= 0, iat=1405,2525, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 105 LYS HZ1 105 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat=1419,1420, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 105 LYS HZ1 105 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=1419,1421, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 105 LYS HZ2 105 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=1420,1421, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 106 GLY H 107 LEU H 2.770 &rst ixpk= 0, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 106 GLY H 107 LEU HA 5.300 &rst ixpk= 0, nxpk= 0, iat=1425,1434, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 106 GLY H 150 SER H 5.940 &rst ixpk= 0, nxpk= 0, iat=1425,2126, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, / # # 106 GLY H 175 TYR HH 3.490 &rst ixpk= 0, nxpk= 0, iat=1425,2525, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 107 LEU H 107 LEU HA 2.910 &rst ixpk= 0, nxpk= 0, iat=1432,1434, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 107 LEU H 107 LEU HG 4.180 &rst ixpk= 0, nxpk= 0, iat=1432,1439, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 107 LEU H 108 VAL H 4.510 &rst ixpk= 0, nxpk= 0, iat=1432,1451, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 107 LEU H 108 VAL HA 5.240 &rst ixpk= 0, nxpk= 0, iat=1432,1453, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 107 LEU H 149 LEU HA 4.830 &rst ixpk= 0, nxpk= 0, iat=1432,2109, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 107 LEU H 175 TYR HH 5.490 &rst ixpk= 0, nxpk= 0, iat=1432,2525, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 107 LEU HA 107 LEU HG 3.360 &rst ixpk= 0, nxpk= 0, iat=1434,1439, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, / # # 107 LEU HA 108 VAL H 2.170 &rst ixpk= 0, nxpk= 0, iat=1434,1451, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67, / # # 107 LEU HA 108 VAL HA 4.410 &rst ixpk= 0, nxpk= 0, iat=1434,1453, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 107 LEU HA 108 VAL HB 5.650 &rst ixpk= 0, nxpk= 0, iat=1434,1455, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 107 LEU HA 148 VAL H 4.610 &rst ixpk= 0, nxpk= 0, iat=1434,2091, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 107 LEU HA 148 VAL HA 5.460 &rst ixpk= 0, nxpk= 0, iat=1434,2093, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, / # # 107 LEU HA 149 LEU H 4.830 &rst ixpk= 0, nxpk= 0, iat=1434,2107, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 107 LEU HA 149 LEU HA 2.410 &rst ixpk= 0, nxpk= 0, iat=1434,2109, r1= 1.30, r2= 1.80, r3= 2.41, r4= 2.91, / # # 107 LEU HA 149 LEU HG 4.090 &rst ixpk= 0, nxpk= 0, iat=1434,2114, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 107 LEU HA 150 SER H 3.980 &rst ixpk= 0, nxpk= 0, iat=1434,2126, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 107 LEU HG 108 VAL H 3.260 &rst ixpk= 0, nxpk= 0, iat=1439,1451, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, / # # 107 LEU HG 108 VAL HA 3.570 &rst ixpk= 0, nxpk= 0, iat=1439,1453, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 107 LEU HG 108 VAL HB 5.770 &rst ixpk= 0, nxpk= 0, iat=1439,1455, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 107 LEU HG 109 ILE HA 5.150 &rst ixpk= 0, nxpk= 0, iat=1439,1469, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 107 LEU HG 109 ILE HB 5.430 &rst ixpk= 0, nxpk= 0, iat=1439,1471, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 107 LEU HG 147 TYR HA 4.990 &rst ixpk= 0, nxpk= 0, iat=1439,2072, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 107 LEU HG 148 VAL H 4.690 &rst ixpk= 0, nxpk= 0, iat=1439,2091, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 107 LEU HG 149 LEU HA 5.530 &rst ixpk= 0, nxpk= 0, iat=1439,2109, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 107 LEU HG 174 SER HA 5.530 &rst ixpk= 0, nxpk= 0, iat=1439,2503, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, / # # 108 VAL H 108 VAL HA 2.940 &rst ixpk= 0, nxpk= 0, iat=1451,1453, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 108 VAL H 108 VAL HB 3.740 &rst ixpk= 0, nxpk= 0, iat=1451,1455, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 108 VAL H 109 ILE H 4.310 &rst ixpk= 0, nxpk= 0, iat=1451,1467, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 108 VAL H 109 ILE HA 4.790 &rst ixpk= 0, nxpk= 0, iat=1451,1469, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 108 VAL H 147 TYR HA 4.660 &rst ixpk= 0, nxpk= 0, iat=1451,2072, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 108 VAL H 148 VAL H 3.080 &rst ixpk= 0, nxpk= 0, iat=1451,2091, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, / # # 108 VAL H 148 VAL HA 4.800 &rst ixpk= 0, nxpk= 0, iat=1451,2093, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 108 VAL H 148 VAL HB 5.240 &rst ixpk= 0, nxpk= 0, iat=1451,2095, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 108 VAL H 149 LEU H 4.800 &rst ixpk= 0, nxpk= 0, iat=1451,2107, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 108 VAL H 149 LEU HA 3.060 &rst ixpk= 0, nxpk= 0, iat=1451,2109, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, / # # 108 VAL H 149 LEU HG 4.980 &rst ixpk= 0, nxpk= 0, iat=1451,2114, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 108 VAL H 150 SER H 4.840 &rst ixpk= 0, nxpk= 0, iat=1451,2126, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 108 VAL HA 108 VAL HB 2.570 &rst ixpk= 0, nxpk= 0, iat=1453,1455, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, / # # 108 VAL HA 109 ILE H 2.150 &rst ixpk= 0, nxpk= 0, iat=1453,1467, r1= 1.30, r2= 1.80, r3= 2.15, r4= 2.65, / # # 108 VAL HA 109 ILE HA 4.390 &rst ixpk= 0, nxpk= 0, iat=1453,1469, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 108 VAL HA 109 ILE HB 4.830 &rst ixpk= 0, nxpk= 0, iat=1453,1471, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 108 VAL HA 147 TYR HA 5.620 &rst ixpk= 0, nxpk= 0, iat=1453,2072, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 108 VAL HA 148 VAL H 4.920 &rst ixpk= 0, nxpk= 0, iat=1453,2091, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 108 VAL HA 149 LEU HA 5.790 &rst ixpk= 0, nxpk= 0, iat=1453,2109, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, / # # 108 VAL HA 153 ILE HB 5.790 &rst ixpk= 0, nxpk= 0, iat=1453,2167, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, / # # 108 VAL HA 172 LEU HG 4.910 &rst ixpk= 0, nxpk= 0, iat=1453,2472, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 108 VAL HA 174 SER H 5.670 &rst ixpk= 0, nxpk= 0, iat=1453,2501, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, / # # 108 VAL HA 174 SER HA 3.500 &rst ixpk= 0, nxpk= 0, iat=1453,2503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 108 VAL HA 175 TYR H 5.950 &rst ixpk= 0, nxpk= 0, iat=1453,2512, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, / # # 108 VAL HB 109 ILE H 3.260 &rst ixpk= 0, nxpk= 0, iat=1455,1467, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, / # # 108 VAL HB 109 ILE HA 4.490 &rst ixpk= 0, nxpk= 0, iat=1455,1469, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 108 VAL HB 109 ILE HB 5.810 &rst ixpk= 0, nxpk= 0, iat=1455,1471, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, / # # 108 VAL HB 147 TYR HA 5.950 &rst ixpk= 0, nxpk= 0, iat=1455,2072, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, / # # 108 VAL HB 148 VAL H 4.940 &rst ixpk= 0, nxpk= 0, iat=1455,2091, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 108 VAL HB 153 ILE HB 5.700 &rst ixpk= 0, nxpk= 0, iat=1455,2167, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, / # # 108 VAL HB 172 LEU HA 4.970 &rst ixpk= 0, nxpk= 0, iat=1455,2467, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 108 VAL HB 172 LEU HG 3.530 &rst ixpk= 0, nxpk= 0, iat=1455,2472, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 108 VAL HB 174 SER HG 5.000 &rst ixpk= 0, nxpk= 0, iat=1455,2508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 109 ILE H 109 ILE HA 2.950 &rst ixpk= 0, nxpk= 0, iat=1467,1469, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 109 ILE H 109 ILE HB 2.770 &rst ixpk= 0, nxpk= 0, iat=1467,1471, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, / # # 109 ILE H 147 TYR HA 4.850 &rst ixpk= 0, nxpk= 0, iat=1467,2072, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 109 ILE H 148 VAL H 4.970 &rst ixpk= 0, nxpk= 0, iat=1467,2091, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, / # # 109 ILE H 172 LEU HA 4.820 &rst ixpk= 0, nxpk= 0, iat=1467,2467, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 109 ILE H 172 LEU HG 4.570 &rst ixpk= 0, nxpk= 0, iat=1467,2472, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 109 ILE H 174 SER H 5.370 &rst ixpk= 0, nxpk= 0, iat=1467,2501, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 109 ILE H 174 SER HA 4.140 &rst ixpk= 0, nxpk= 0, iat=1467,2503, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, / # # 109 ILE H 174 SER HG 5.660 &rst ixpk= 0, nxpk= 0, iat=1467,2508, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, / # # 109 ILE HA 109 ILE HB 3.010 &rst ixpk= 0, nxpk= 0, iat=1469,1471, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, / # # 109 ILE HA 145 HIET HA 5.670 &rst ixpk= 0, nxpk= 0, iat=1469,2036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, / # # 109 ILE HA 146 ILE H 4.010 &rst ixpk= 0, nxpk= 0, iat=1469,2051, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 109 ILE HA 146 ILE HA 5.190 &rst ixpk= 0, nxpk= 0, iat=1469,2053, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 109 ILE HA 146 ILE HB 4.520 &rst ixpk= 0, nxpk= 0, iat=1469,2055, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 109 ILE HA 147 TYR H 4.560 &rst ixpk= 0, nxpk= 0, iat=1469,2070, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 109 ILE HA 147 TYR HA 2.480 &rst ixpk= 0, nxpk= 0, iat=1469,2072, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98, / # # 109 ILE HA 148 VAL H 3.430 &rst ixpk= 0, nxpk= 0, iat=1469,2091, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, / # # 109 ILE HA 172 LEU HA 5.750 &rst ixpk= 0, nxpk= 0, iat=1469,2467, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 109 ILE HB 145 HIET HA 5.850 &rst ixpk= 0, nxpk= 0, iat=1471,2036, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, / # # 109 ILE HB 147 TYR HA 4.880 &rst ixpk= 0, nxpk= 0, iat=1471,2072, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 109 ILE HB 172 LEU HA 5.430 &rst ixpk= 0, nxpk= 0, iat=1471,2467, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 109 ILE HB 174 SER HA 5.960 &rst ixpk= 0, nxpk= 0, iat=1471,2503, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 109 ILE HB 177 SER HG 5.770 &rst ixpk= 0, nxpk= 0, iat=1471,2554, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 109 ILE HB 179 VAL HA 5.860 &rst ixpk= 0, nxpk= 0, iat=1471,2581, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 109 ILE HB 179 VAL HB 4.350 &rst ixpk= 0, nxpk= 0, iat=1471,2583, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 140 VAL H 140 VAL HA 2.900 &rst ixpk= 0, nxpk= 0, iat=1968,1970, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 140 VAL H 140 VAL HB 3.620 &rst ixpk= 0, nxpk= 0, iat=1968,1972, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 140 VAL H 142 GLY H 4.490 &rst ixpk= 0, nxpk= 0, iat=1968,2001, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 140 VAL H 143 GLY H 4.610 &rst ixpk= 0, nxpk= 0, iat=1968,2008, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 140 VAL H 205 THR HB 5.650 &rst ixpk= 0, nxpk= 0, iat=1968,2978, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 140 VAL H 206 CYX HA 5.790 &rst ixpk= 0, nxpk= 0, iat=1968,2990, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, / # # 140 VAL H 207 TYR HA 4.700 &rst ixpk= 0, nxpk= 0, iat=1968,3000, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 140 VAL H 207 TYR HH 3.300 &rst ixpk= 0, nxpk= 0, iat=1968,3011, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, / # # 140 VAL HA 140 VAL HB 2.520 &rst ixpk= 0, nxpk= 0, iat=1970,1972, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, / # # 140 VAL HA 142 GLY H 3.620 &rst ixpk= 0, nxpk= 0, iat=1970,2001, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 140 VAL HA 143 GLY H 5.360 &rst ixpk= 0, nxpk= 0, iat=1970,2008, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, / # # 140 VAL HA 198 TRP HZ3 4.610 &rst ixpk= 0, nxpk= 0, iat=1970,2864, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 140 VAL HA 198 TRP HH2 5.430 &rst ixpk= 0, nxpk= 0, iat=1970,2862, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 140 VAL HA 205 THR HA 5.440 &rst ixpk= 0, nxpk= 0, iat=1970,2976, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, / # # 140 VAL HA 205 THR HB 3.020 &rst ixpk= 0, nxpk= 0, iat=1970,2978, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 140 VAL HA 206 CYX H 4.540 &rst ixpk= 0, nxpk= 0, iat=1970,2988, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 140 VAL HA 206 CYX HA 5.040 &rst ixpk= 0, nxpk= 0, iat=1970,2990, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 140 VAL HA 207 TYR H 5.990 &rst ixpk= 0, nxpk= 0, iat=1970,2998, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, / # # 140 VAL HA 207 TYR HA 4.710 &rst ixpk= 0, nxpk= 0, iat=1970,3000, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 140 VAL HA 208 THR H 5.960 &rst ixpk= 0, nxpk= 0, iat=1970,3019, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 140 VAL HB 142 GLY H 4.960 &rst ixpk= 0, nxpk= 0, iat=1972,2001, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 140 VAL HB 185 CYX HA 5.910 &rst ixpk= 0, nxpk= 0, iat=1972,2660, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 140 VAL HB 186 VAL H 5.000 &rst ixpk= 0, nxpk= 0, iat=1972,2668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 140 VAL HB 186 VAL HB 3.990 &rst ixpk= 0, nxpk= 0, iat=1972,2672, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 140 VAL HB 198 TRP HZ3 4.040 &rst ixpk= 0, nxpk= 0, iat=1972,2864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 140 VAL HB 198 TRP HH2 5.870 &rst ixpk= 0, nxpk= 0, iat=1972,2862, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, / # # 140 VAL HB 205 THR H 4.650 &rst ixpk= 0, nxpk= 0, iat=1972,2974, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 140 VAL HB 205 THR HA 5.300 &rst ixpk= 0, nxpk= 0, iat=1972,2976, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 140 VAL HB 205 THR HB 3.770 &rst ixpk= 0, nxpk= 0, iat=1972,2978, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, / # # 140 VAL HB 206 CYX H 5.150 &rst ixpk= 0, nxpk= 0, iat=1972,2988, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 140 VAL HB 206 CYX HA 4.990 &rst ixpk= 0, nxpk= 0, iat=1972,2990, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 142 GLY H 143 GLY H 2.720 &rst ixpk= 0, nxpk= 0, iat=2001,2008, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, / # # 142 GLY H 198 TRP HZ3 4.040 &rst ixpk= 0, nxpk= 0, iat=2001,2864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, / # # 142 GLY H 198 TRP HH2 3.820 &rst ixpk= 0, nxpk= 0, iat=2001,2862, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, / # # 142 GLY H 205 THR HB 5.910 &rst ixpk= 0, nxpk= 0, iat=2001,2978, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 143 GLY H 144 ILE H 4.370 &rst ixpk= 0, nxpk= 0, iat=2008,2015, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 143 GLY H 144 ILE HA 5.020 &rst ixpk= 0, nxpk= 0, iat=2008,2017, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 143 GLY H 144 ILE HB 5.610 &rst ixpk= 0, nxpk= 0, iat=2008,2019, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, / # # 144 ILE H 144 ILE HA 2.880 &rst ixpk= 0, nxpk= 0, iat=2015,2017, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, / # # 144 ILE H 144 ILE HB 3.480 &rst ixpk= 0, nxpk= 0, iat=2015,2019, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, / # # 144 ILE H 145 HIET H 4.050 &rst ixpk= 0, nxpk= 0, iat=2015,2034, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, / # # 144 ILE H 145 HIET HA 4.800 &rst ixpk= 0, nxpk= 0, iat=2015,2036, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 144 ILE HA 144 ILE HB 2.420 &rst ixpk= 0, nxpk= 0, iat=2017,2019, r1= 1.30, r2= 1.80, r3= 2.42, r4= 2.92, / # # 144 ILE HA 145 HIET H 2.140 &rst ixpk= 0, nxpk= 0, iat=2017,2034, r1= 1.30, r2= 1.80, r3= 2.14, r4= 2.64, / # # 144 ILE HA 145 HIET HA 4.390 &rst ixpk= 0, nxpk= 0, iat=2017,2036, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 144 ILE HB 145 HIET HA 5.920 &rst ixpk= 0, nxpk= 0, iat=2019,2036, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, / # # 145 HIET H 145 HIET HA 2.920 &rst ixpk= 0, nxpk= 0, iat=2034,2036, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, / # # 145 HIET H 146 ILE H 4.540 &rst ixpk= 0, nxpk= 0, iat=2034,2051, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 145 HIET H 146 ILE HA 5.200 &rst ixpk= 0, nxpk= 0, iat=2034,2053, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 145 HIET H 147 TYR HH 5.600 &rst ixpk= 0, nxpk= 0, iat=2034,2083, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, / # # 145 HIET HA 146 ILE H 2.190 &rst ixpk= 0, nxpk= 0, iat=2036,2051, r1= 1.30, r2= 1.80, r3= 2.19, r4= 2.69, / # # 145 HIET HA 146 ILE HA 4.400 &rst ixpk= 0, nxpk= 0, iat=2036,2053, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 145 HIET HA 146 ILE HB 4.600 &rst ixpk= 0, nxpk= 0, iat=2036,2055, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 145 HIET HA 147 TYR H 5.560 &rst ixpk= 0, nxpk= 0, iat=2036,2070, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, / # # 146 ILE H 146 ILE HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2051,2053, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 146 ILE H 146 ILE HB 2.650 &rst ixpk= 0, nxpk= 0, iat=2051,2055, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, / # # 146 ILE H 147 TYR H 4.070 &rst ixpk= 0, nxpk= 0, iat=2051,2070, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, / # # 146 ILE H 147 TYR HA 4.750 &rst ixpk= 0, nxpk= 0, iat=2051,2072, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 146 ILE HA 146 ILE HB 3.020 &rst ixpk= 0, nxpk= 0, iat=2053,2055, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 146 ILE HA 147 TYR H 2.180 &rst ixpk= 0, nxpk= 0, iat=2053,2070, r1= 1.30, r2= 1.80, r3= 2.18, r4= 2.68, / # # 146 ILE HA 147 TYR HA 4.430 &rst ixpk= 0, nxpk= 0, iat=2053,2072, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 146 ILE HA 148 VAL H 5.850 &rst ixpk= 0, nxpk= 0, iat=2053,2091, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, / # # 146 ILE HB 147 TYR H 4.400 &rst ixpk= 0, nxpk= 0, iat=2055,2070, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 146 ILE HB 147 TYR HA 4.990 &rst ixpk= 0, nxpk= 0, iat=2055,2072, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 146 ILE HB 148 VAL H 5.760 &rst ixpk= 0, nxpk= 0, iat=2055,2091, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, / # # 147 TYR H 147 TYR HA 2.900 &rst ixpk= 0, nxpk= 0, iat=2070,2072, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 147 TYR H 148 VAL H 4.480 &rst ixpk= 0, nxpk= 0, iat=2070,2091, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 147 TYR H 148 VAL HA 5.430 &rst ixpk= 0, nxpk= 0, iat=2070,2093, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 147 TYR HA 148 VAL H 2.140 &rst ixpk= 0, nxpk= 0, iat=2072,2091, r1= 1.30, r2= 1.80, r3= 2.14, r4= 2.64, / # # 147 TYR HA 148 VAL HA 4.410 &rst ixpk= 0, nxpk= 0, iat=2072,2093, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 147 TYR HA 148 VAL HB 5.700 &rst ixpk= 0, nxpk= 0, iat=2072,2095, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, / # # 147 TYR HH 179 VAL HB 3.920 &rst ixpk= 0, nxpk= 0, iat=2083,2583, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, / # # 147 TYR HH 180 LEU H 5.750 &rst ixpk= 0, nxpk= 0, iat=2083,2595, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 147 TYR HH 182 LEU H 4.610 &rst ixpk= 0, nxpk= 0, iat=2083,2621, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 147 TYR HH 182 LEU HA 5.300 &rst ixpk= 0, nxpk= 0, iat=2083,2623, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 148 VAL H 148 VAL HA 2.900 &rst ixpk= 0, nxpk= 0, iat=2091,2093, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 148 VAL H 148 VAL HB 3.930 &rst ixpk= 0, nxpk= 0, iat=2091,2095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 148 VAL H 149 LEU H 4.350 &rst ixpk= 0, nxpk= 0, iat=2091,2107, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 148 VAL H 149 LEU HA 4.660 &rst ixpk= 0, nxpk= 0, iat=2091,2109, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, / # # 148 VAL H 149 LEU HG 5.010 &rst ixpk= 0, nxpk= 0, iat=2091,2114, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 148 VAL HA 148 VAL HB 2.480 &rst ixpk= 0, nxpk= 0, iat=2093,2095, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98, / # # 148 VAL HA 149 LEU H 2.280 &rst ixpk= 0, nxpk= 0, iat=2093,2107, r1= 1.30, r2= 1.80, r3= 2.28, r4= 2.78, / # # 148 VAL HA 149 LEU HA 4.380 &rst ixpk= 0, nxpk= 0, iat=2093,2109, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 148 VAL HA 149 LEU HG 3.520 &rst ixpk= 0, nxpk= 0, iat=2093,2114, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 148 VAL HB 149 LEU H 2.690 &rst ixpk= 0, nxpk= 0, iat=2095,2107, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, / # # 148 VAL HB 149 LEU HA 4.590 &rst ixpk= 0, nxpk= 0, iat=2095,2109, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 148 VAL HB 149 LEU HG 5.080 &rst ixpk= 0, nxpk= 0, iat=2095,2114, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, / # # 149 LEU H 149 LEU HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2107,2109, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 149 LEU H 149 LEU HG 2.580 &rst ixpk= 0, nxpk= 0, iat=2107,2114, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, / # # 149 LEU H 150 SER H 4.540 &rst ixpk= 0, nxpk= 0, iat=2107,2126, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 149 LEU H 150 SER HA 5.240 &rst ixpk= 0, nxpk= 0, iat=2107,2128, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 149 LEU HA 149 LEU HG 3.180 &rst ixpk= 0, nxpk= 0, iat=2109,2114, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, / # # 149 LEU HA 150 SER H 2.360 &rst ixpk= 0, nxpk= 0, iat=2109,2126, r1= 1.30, r2= 1.80, r3= 2.36, r4= 2.86, / # # 149 LEU HA 150 SER HA 4.540 &rst ixpk= 0, nxpk= 0, iat=2109,2128, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 149 LEU HG 150 SER H 4.960 &rst ixpk= 0, nxpk= 0, iat=2114,2126, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 150 SER H 150 SER HA 2.850 &rst ixpk= 0, nxpk= 0, iat=2126,2128, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 150 SER H 150 SER HG 4.690 &rst ixpk= 0, nxpk= 0, iat=2126,2133, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 150 SER H 151 ASN H 4.170 &rst ixpk= 0, nxpk= 0, iat=2126,2137, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 150 SER H 151 ASN HA 4.590 &rst ixpk= 0, nxpk= 0, iat=2126,2139, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 150 SER H 152 ASP H 5.260 &rst ixpk= 0, nxpk= 0, iat=2126,2151, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, / # # 150 SER HA 150 SER HG 3.200 &rst ixpk= 0, nxpk= 0, iat=2128,2133, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, / # # 150 SER HA 151 ASN H 2.190 &rst ixpk= 0, nxpk= 0, iat=2128,2137, r1= 1.30, r2= 1.80, r3= 2.19, r4= 2.69, / # # 150 SER HA 151 ASN HA 4.330 &rst ixpk= 0, nxpk= 0, iat=2128,2139, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 150 SER HA 152 ASP H 3.900 &rst ixpk= 0, nxpk= 0, iat=2128,2151, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 150 SER HG 151 ASN H 2.830 &rst ixpk= 0, nxpk= 0, iat=2133,2137, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, / # # 150 SER HG 152 ASP H 2.470 &rst ixpk= 0, nxpk= 0, iat=2133,2151, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97, / # # 150 SER HG 152 ASP HA 4.990 &rst ixpk= 0, nxpk= 0, iat=2133,2153, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 150 SER HG 153 ILE H 5.400 &rst ixpk= 0, nxpk= 0, iat=2133,2163, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 150 SER HG 153 ILE HA 4.770 &rst ixpk= 0, nxpk= 0, iat=2133,2165, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 150 SER HG 246 TRP HZ2 5.450 &rst ixpk= 0, nxpk= 0, iat=2133,3676, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 150 SER HG 246 TRP HH2 4.300 &rst ixpk= 0, nxpk= 0, iat=2133,3678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 151 ASN H 151 ASN HA 2.820 &rst ixpk= 0, nxpk= 0, iat=2137,2139, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 151 ASN H 152 ASP H 2.590 &rst ixpk= 0, nxpk= 0, iat=2137,2151, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, / # # 151 ASN H 152 ASP HA 5.240 &rst ixpk= 0, nxpk= 0, iat=2137,2153, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 151 ASN HA 152 ASP H 3.490 &rst ixpk= 0, nxpk= 0, iat=2139,2151, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 151 ASN HA 152 ASP HA 4.560 &rst ixpk= 0, nxpk= 0, iat=2139,2153, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 152 ASP H 152 ASP HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2151,2153, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 152 ASP H 153 ILE H 4.100 &rst ixpk= 0, nxpk= 0, iat=2151,2163, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 152 ASP H 153 ILE HA 5.020 &rst ixpk= 0, nxpk= 0, iat=2151,2165, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, / # # 152 ASP H 246 TRP HZ2 5.290 &rst ixpk= 0, nxpk= 0, iat=2151,3676, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, / # # 152 ASP H 246 TRP HH2 5.300 &rst ixpk= 0, nxpk= 0, iat=2151,3678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 152 ASP HA 153 ILE H 2.180 &rst ixpk= 0, nxpk= 0, iat=2153,2163, r1= 1.30, r2= 1.80, r3= 2.18, r4= 2.68, / # # 152 ASP HA 153 ILE HA 4.390 &rst ixpk= 0, nxpk= 0, iat=2153,2165, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 152 ASP HA 153 ILE HB 5.770 &rst ixpk= 0, nxpk= 0, iat=2153,2167, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 152 ASP HA 246 TRP HZ2 4.050 &rst ixpk= 0, nxpk= 0, iat=2153,3676, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, / # # 152 ASP HA 246 TRP HH2 5.390 &rst ixpk= 0, nxpk= 0, iat=2153,3678, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 153 ILE H 153 ILE HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2163,2165, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 153 ILE H 153 ILE HB 3.730 &rst ixpk= 0, nxpk= 0, iat=2163,2167, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 153 ILE H 154 PRO HA 5.200 &rst ixpk= 0, nxpk= 0, iat=2163,2192, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 153 ILE H 246 TRP HZ2 3.370 &rst ixpk= 0, nxpk= 0, iat=2163,3676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, / # # 153 ILE H 246 TRP HH2 5.100 &rst ixpk= 0, nxpk= 0, iat=2163,3678, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 153 ILE HA 153 ILE HB 2.570 &rst ixpk= 0, nxpk= 0, iat=2165,2167, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, / # # 153 ILE HA 154 PRO HA 4.390 &rst ixpk= 0, nxpk= 0, iat=2165,2192, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 153 ILE HA 174 SER HG 5.320 &rst ixpk= 0, nxpk= 0, iat=2165,2508, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, / # # 153 ILE HA 246 TRP HZ3 5.010 &rst ixpk= 0, nxpk= 0, iat=2165,3680, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 153 ILE HA 246 TRP HZ2 2.180 &rst ixpk= 0, nxpk= 0, iat=2165,3676, r1= 1.30, r2= 1.80, r3= 2.18, r4= 2.68, / # # 153 ILE HA 246 TRP HH2 3.030 &rst ixpk= 0, nxpk= 0, iat=2165,3678, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, / # # 153 ILE HB 154 PRO HA 4.740 &rst ixpk= 0, nxpk= 0, iat=2167,2192, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 153 ILE HB 155 PRO HA 5.830 &rst ixpk= 0, nxpk= 0, iat=2167,2206, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 153 ILE HB 174 SER HA 5.860 &rst ixpk= 0, nxpk= 0, iat=2167,2503, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 153 ILE HB 174 SER HG 3.150 &rst ixpk= 0, nxpk= 0, iat=2167,2508, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, / # # 153 ILE HB 175 TYR H 5.280 &rst ixpk= 0, nxpk= 0, iat=2167,2512, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 153 ILE HB 246 TRP HZ2 4.520 &rst ixpk= 0, nxpk= 0, iat=2167,3676, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 153 ILE HB 246 TRP HH2 5.500 &rst ixpk= 0, nxpk= 0, iat=2167,3678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 154 PRO HA 155 PRO HA 4.420 &rst ixpk= 0, nxpk= 0, iat=2192,2206, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 154 PRO HA 246 TRP HZ2 3.990 &rst ixpk= 0, nxpk= 0, iat=2192,3676, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, / # # 154 PRO HA 246 TRP HH2 5.930 &rst ixpk= 0, nxpk= 0, iat=2192,3678, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, / # # 155 PRO HA 174 SER HG 5.770 &rst ixpk= 0, nxpk= 0, iat=2206,2508, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 155 PRO HA 175 TYR H 5.270 &rst ixpk= 0, nxpk= 0, iat=2206,2512, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, / # # 158 ILE H 158 ILE HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2249,2251, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 158 ILE H 158 ILE HB 2.670 &rst ixpk= 0, nxpk= 0, iat=2249,2253, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, / # # 158 ILE H 161 LEU HG 5.480 &rst ixpk= 0, nxpk= 0, iat=2249,2303, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, / # # 158 ILE H 171 ASP HA 5.610 &rst ixpk= 0, nxpk= 0, iat=2249,2455, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, / # # 158 ILE H 172 LEU H 3.790 &rst ixpk= 0, nxpk= 0, iat=2249,2465, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, / # # 158 ILE H 172 LEU HA 4.930 &rst ixpk= 0, nxpk= 0, iat=2249,2467, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, / # # 158 ILE H 172 LEU HG 3.730 &rst ixpk= 0, nxpk= 0, iat=2249,2472, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 158 ILE H 174 SER H 4.270 &rst ixpk= 0, nxpk= 0, iat=2249,2501, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 158 ILE HA 158 ILE HB 2.970 &rst ixpk= 0, nxpk= 0, iat=2251,2253, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, / # # 158 ILE HA 161 LEU HA 5.920 &rst ixpk= 0, nxpk= 0, iat=2251,2298, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, / # # 158 ILE HA 172 LEU H 5.050 &rst ixpk= 0, nxpk= 0, iat=2251,2465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 158 ILE HA 242 THR HB 4.730 &rst ixpk= 0, nxpk= 0, iat=2251,3606, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 158 ILE HB 161 LEU H 5.250 &rst ixpk= 0, nxpk= 0, iat=2253,2296, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 158 ILE HB 161 LEU HA 4.150 &rst ixpk= 0, nxpk= 0, iat=2253,2298, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, / # # 158 ILE HB 161 LEU HG 3.610 &rst ixpk= 0, nxpk= 0, iat=2253,2303, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, / # # 158 ILE HB 171 ASP HA 5.170 &rst ixpk= 0, nxpk= 0, iat=2253,2455, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, / # # 158 ILE HB 172 LEU H 3.550 &rst ixpk= 0, nxpk= 0, iat=2253,2465, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 158 ILE HB 172 LEU HA 5.350 &rst ixpk= 0, nxpk= 0, iat=2253,2467, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 158 ILE HB 172 LEU HG 4.440 &rst ixpk= 0, nxpk= 0, iat=2253,2472, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 158 ILE HB 242 THR HB 5.000 &rst ixpk= 0, nxpk= 0, iat=2253,3606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 158 ILE HB 243 ALA H 5.490 &rst ixpk= 0, nxpk= 0, iat=2253,3616, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 158 ILE HB 243 ALA HA 4.430 &rst ixpk= 0, nxpk= 0, iat=2253,3618, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 160 PRO HA 161 LEU H 2.550 &rst ixpk= 0, nxpk= 0, iat=2292,2296, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, / # # 160 PRO HA 161 LEU HA 4.610 &rst ixpk= 0, nxpk= 0, iat=2292,2298, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 160 PRO HA 162 PHE HA 5.860 &rst ixpk= 0, nxpk= 0, iat=2292,2317, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, / # # 160 PRO HA 163 GLU HA 5.300 &rst ixpk= 0, nxpk= 0, iat=2292,2337, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 160 PRO HA 168 GLY H 5.670 &rst ixpk= 0, nxpk= 0, iat=2292,2408, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, / # # 160 PRO HA 169 ILE H 5.160 &rst ixpk= 0, nxpk= 0, iat=2292,2415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, / # # 160 PRO HA 170 ILE H 5.240 &rst ixpk= 0, nxpk= 0, iat=2292,2434, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 160 PRO HA 171 ASP HA 4.810 &rst ixpk= 0, nxpk= 0, iat=2292,2455, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 161 LEU H 161 LEU HA 2.850 &rst ixpk= 0, nxpk= 0, iat=2296,2298, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 161 LEU H 161 LEU HG 4.180 &rst ixpk= 0, nxpk= 0, iat=2296,2303, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 161 LEU H 162 PHE H 2.720 &rst ixpk= 0, nxpk= 0, iat=2296,2315, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, / # # 161 LEU H 162 PHE HA 5.140 &rst ixpk= 0, nxpk= 0, iat=2296,2317, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, / # # 161 LEU H 169 ILE H 5.200 &rst ixpk= 0, nxpk= 0, iat=2296,2415, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 161 LEU H 170 ILE H 4.360 &rst ixpk= 0, nxpk= 0, iat=2296,2434, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 161 LEU H 170 ILE HA 5.610 &rst ixpk= 0, nxpk= 0, iat=2296,2436, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, / # # 161 LEU H 171 ASP H 5.100 &rst ixpk= 0, nxpk= 0, iat=2296,2453, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, / # # 161 LEU H 171 ASP HA 2.780 &rst ixpk= 0, nxpk= 0, iat=2296,2455, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, / # # 161 LEU H 172 LEU H 4.020 &rst ixpk= 0, nxpk= 0, iat=2296,2465, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 161 LEU HA 161 LEU HG 2.850 &rst ixpk= 0, nxpk= 0, iat=2298,2303, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, / # # 161 LEU HA 162 PHE H 3.570 &rst ixpk= 0, nxpk= 0, iat=2298,2315, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 161 LEU HA 162 PHE HA 4.550 &rst ixpk= 0, nxpk= 0, iat=2298,2317, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 161 LEU HA 171 ASP HA 4.570 &rst ixpk= 0, nxpk= 0, iat=2298,2455, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 161 LEU HA 172 LEU H 4.530 &rst ixpk= 0, nxpk= 0, iat=2298,2465, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 161 LEU HA 242 THR HB 5.390 &rst ixpk= 0, nxpk= 0, iat=2298,3606, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 161 LEU HA 243 ALA H 4.380 &rst ixpk= 0, nxpk= 0, iat=2298,3616, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 161 LEU HA 243 ALA HA 4.240 &rst ixpk= 0, nxpk= 0, iat=2298,3618, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 161 LEU HA 244 LYS H 5.790 &rst ixpk= 0, nxpk= 0, iat=2298,3626, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, / # # 161 LEU HG 162 PHE H 4.810 &rst ixpk= 0, nxpk= 0, iat=2303,2315, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 161 LEU HG 171 ASP H 5.430 &rst ixpk= 0, nxpk= 0, iat=2303,2453, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 161 LEU HG 171 ASP HA 3.910 &rst ixpk= 0, nxpk= 0, iat=2303,2455, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, / # # 161 LEU HG 172 LEU H 3.030 &rst ixpk= 0, nxpk= 0, iat=2303,2465, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, / # # 161 LEU HG 172 LEU HA 4.180 &rst ixpk= 0, nxpk= 0, iat=2303,2467, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 161 LEU HG 172 LEU HG 5.180 &rst ixpk= 0, nxpk= 0, iat=2303,2472, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 162 PHE H 162 PHE HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2315,2317, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 162 PHE H 163 GLU HA 4.730 &rst ixpk= 0, nxpk= 0, iat=2315,2337, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 162 PHE H 169 ILE H 3.860 &rst ixpk= 0, nxpk= 0, iat=2315,2415, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 162 PHE H 170 ILE H 3.100 &rst ixpk= 0, nxpk= 0, iat=2315,2434, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, / # # 162 PHE H 170 ILE HA 5.090 &rst ixpk= 0, nxpk= 0, iat=2315,2436, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, / # # 162 PHE H 170 ILE HB 4.500 &rst ixpk= 0, nxpk= 0, iat=2315,2438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 162 PHE H 171 ASP H 5.560 &rst ixpk= 0, nxpk= 0, iat=2315,2453, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, / # # 162 PHE H 171 ASP HA 4.510 &rst ixpk= 0, nxpk= 0, iat=2315,2455, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 162 PHE H 172 LEU H 5.840 &rst ixpk= 0, nxpk= 0, iat=2315,2465, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, / # # 162 PHE HA 163 GLU H 2.140 &rst ixpk= 0, nxpk= 0, iat=2317,2335, r1= 1.30, r2= 1.80, r3= 2.14, r4= 2.64, / # # 162 PHE HA 163 GLU HA 4.380 &rst ixpk= 0, nxpk= 0, iat=2317,2337, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 162 PHE HA 169 ILE H 5.510 &rst ixpk= 0, nxpk= 0, iat=2317,2415, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 162 PHE HA 170 ILE H 5.430 &rst ixpk= 0, nxpk= 0, iat=2317,2434, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 163 GLU H 163 GLU HA 2.900 &rst ixpk= 0, nxpk= 0, iat=2335,2337, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 163 GLU H 164 GLU H 4.550 &rst ixpk= 0, nxpk= 0, iat=2335,2350, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 163 GLU H 164 GLU HA 5.330 &rst ixpk= 0, nxpk= 0, iat=2335,2352, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, / # # 163 GLU H 169 ILE H 5.440 &rst ixpk= 0, nxpk= 0, iat=2335,2415, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, / # # 163 GLU HA 164 GLU H 2.180 &rst ixpk= 0, nxpk= 0, iat=2337,2350, r1= 1.30, r2= 1.80, r3= 2.18, r4= 2.68, / # # 163 GLU HA 164 GLU HA 4.420 &rst ixpk= 0, nxpk= 0, iat=2337,2352, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 163 GLU HA 166 GLY H 5.230 &rst ixpk= 0, nxpk= 0, iat=2337,2379, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, / # # 163 GLU HA 168 GLY H 4.890 &rst ixpk= 0, nxpk= 0, iat=2337,2408, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 163 GLU HA 169 ILE H 3.730 &rst ixpk= 0, nxpk= 0, iat=2337,2415, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, / # # 163 GLU HA 170 ILE H 5.180 &rst ixpk= 0, nxpk= 0, iat=2337,2434, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 164 GLU H 164 GLU HA 2.930 &rst ixpk= 0, nxpk= 0, iat=2350,2352, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 164 GLU H 165 ASN H 4.000 &rst ixpk= 0, nxpk= 0, iat=2350,2365, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 164 GLU H 165 ASN HA 5.600 &rst ixpk= 0, nxpk= 0, iat=2350,2367, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, / # # 164 GLU H 166 GLY H 3.420 &rst ixpk= 0, nxpk= 0, iat=2350,2379, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, / # # 164 GLU H 168 GLY H 4.860 &rst ixpk= 0, nxpk= 0, iat=2350,2408, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 164 GLU H 169 ILE HA 5.910 &rst ixpk= 0, nxpk= 0, iat=2350,2417, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 164 GLU HA 165 ASN H 2.150 &rst ixpk= 0, nxpk= 0, iat=2352,2365, r1= 1.30, r2= 1.80, r3= 2.15, r4= 2.65, / # # 164 GLU HA 165 ASN HA 4.370 &rst ixpk= 0, nxpk= 0, iat=2352,2367, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 164 GLU HA 166 GLY H 3.660 &rst ixpk= 0, nxpk= 0, iat=2352,2379, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 165 ASN H 165 ASN HA 2.280 &rst ixpk= 0, nxpk= 0, iat=2365,2367, r1= 1.30, r2= 1.80, r3= 2.28, r4= 2.78, / # # 165 ASN H 166 GLY H 2.570 &rst ixpk= 0, nxpk= 0, iat=2365,2379, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, / # # 165 ASN HA 166 GLY H 3.020 &rst ixpk= 0, nxpk= 0, iat=2367,2379, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 168 GLY H 169 ILE H 4.560 &rst ixpk= 0, nxpk= 0, iat=2408,2415, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 168 GLY H 169 ILE HA 5.400 &rst ixpk= 0, nxpk= 0, iat=2408,2417, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, / # # 169 ILE H 169 ILE HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2415,2417, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 169 ILE H 169 ILE HB 3.700 &rst ixpk= 0, nxpk= 0, iat=2415,2419, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, / # # 169 ILE H 170 ILE H 1.950 &rst ixpk= 0, nxpk= 0, iat=2415,2434, r1= 1.30, r2= 1.80, r3= 1.95, r4= 2.45, / # # 169 ILE H 170 ILE HA 4.680 &rst ixpk= 0, nxpk= 0, iat=2415,2436, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, / # # 169 ILE H 170 ILE HB 4.790 &rst ixpk= 0, nxpk= 0, iat=2415,2438, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, / # # 169 ILE HA 169 ILE HB 3.000 &rst ixpk= 0, nxpk= 0, iat=2417,2419, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 169 ILE HA 170 ILE H 3.480 &rst ixpk= 0, nxpk= 0, iat=2417,2434, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, / # # 169 ILE HA 170 ILE HA 4.520 &rst ixpk= 0, nxpk= 0, iat=2417,2436, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 169 ILE HA 170 ILE HB 5.390 &rst ixpk= 0, nxpk= 0, iat=2417,2438, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, / # # 169 ILE HB 170 ILE H 3.780 &rst ixpk= 0, nxpk= 0, iat=2419,2434, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, / # # 169 ILE HB 170 ILE HA 4.700 &rst ixpk= 0, nxpk= 0, iat=2419,2436, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 169 ILE HB 170 ILE HB 4.770 &rst ixpk= 0, nxpk= 0, iat=2419,2438, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, / # # 170 ILE H 170 ILE HA 2.930 &rst ixpk= 0, nxpk= 0, iat=2434,2436, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 170 ILE H 170 ILE HB 3.060 &rst ixpk= 0, nxpk= 0, iat=2434,2438, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, / # # 170 ILE H 171 ASP H 4.360 &rst ixpk= 0, nxpk= 0, iat=2434,2453, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 170 ILE H 171 ASP HA 4.820 &rst ixpk= 0, nxpk= 0, iat=2434,2455, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 170 ILE HA 170 ILE HB 3.100 &rst ixpk= 0, nxpk= 0, iat=2436,2438, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, / # # 170 ILE HA 171 ASP HA 4.420 &rst ixpk= 0, nxpk= 0, iat=2436,2455, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 170 ILE HB 171 ASP H 4.100 &rst ixpk= 0, nxpk= 0, iat=2438,2453, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 171 ASP H 171 ASP HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2453,2455, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 171 ASP H 172 LEU H 4.310 &rst ixpk= 0, nxpk= 0, iat=2453,2465, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 171 ASP H 172 LEU HA 4.760 &rst ixpk= 0, nxpk= 0, iat=2453,2467, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 171 ASP HA 172 LEU H 2.170 &rst ixpk= 0, nxpk= 0, iat=2455,2465, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67, / # # 171 ASP HA 172 LEU HA 4.370 &rst ixpk= 0, nxpk= 0, iat=2455,2467, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, / # # 172 LEU H 172 LEU HA 2.910 &rst ixpk= 0, nxpk= 0, iat=2465,2467, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 172 LEU H 172 LEU HG 4.440 &rst ixpk= 0, nxpk= 0, iat=2465,2472, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 172 LEU HA 172 LEU HG 3.200 &rst ixpk= 0, nxpk= 0, iat=2467,2472, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, / # # 172 LEU HA 174 SER H 5.630 &rst ixpk= 0, nxpk= 0, iat=2467,2501, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, / # # 172 LEU HG 174 SER H 4.400 &rst ixpk= 0, nxpk= 0, iat=2472,2501, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 172 LEU HG 174 SER HA 4.690 &rst ixpk= 0, nxpk= 0, iat=2472,2503, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 172 LEU HG 174 SER HG 4.540 &rst ixpk= 0, nxpk= 0, iat=2472,2508, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, / # # 174 SER H 174 SER HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2501,2503, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 174 SER H 174 SER HG 4.680 &rst ixpk= 0, nxpk= 0, iat=2501,2508, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, / # # 174 SER H 175 TYR HA 5.430 &rst ixpk= 0, nxpk= 0, iat=2501,2514, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 174 SER H 177 SER H 4.900 &rst ixpk= 0, nxpk= 0, iat=2501,2547, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 174 SER H 177 SER HA 5.340 &rst ixpk= 0, nxpk= 0, iat=2501,2549, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 174 SER H 177 SER HG 2.950 &rst ixpk= 0, nxpk= 0, iat=2501,2554, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 174 SER H 178 TYR H 5.920 &rst ixpk= 0, nxpk= 0, iat=2501,2558, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, / # # 174 SER HA 174 SER HG 2.660 &rst ixpk= 0, nxpk= 0, iat=2503,2508, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, / # # 174 SER HA 175 TYR H 2.960 &rst ixpk= 0, nxpk= 0, iat=2503,2512, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, / # # 174 SER HA 175 TYR HA 4.410 &rst ixpk= 0, nxpk= 0, iat=2503,2514, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 174 SER HA 177 SER H 5.280 &rst ixpk= 0, nxpk= 0, iat=2503,2547, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 174 SER HA 177 SER HG 3.880 &rst ixpk= 0, nxpk= 0, iat=2503,2554, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, / # # 174 SER HG 175 TYR H 2.620 &rst ixpk= 0, nxpk= 0, iat=2508,2512, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, / # # 175 TYR H 175 TYR HA 2.720 &rst ixpk= 0, nxpk= 0, iat=2512,2514, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, / # # 175 TYR H 177 SER H 5.090 &rst ixpk= 0, nxpk= 0, iat=2512,2547, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, / # # 175 TYR H 177 SER HG 5.430 &rst ixpk= 0, nxpk= 0, iat=2512,2554, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, / # # 175 TYR HA 177 SER H 3.470 &rst ixpk= 0, nxpk= 0, iat=2514,2547, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, / # # 175 TYR HA 177 SER HG 5.310 &rst ixpk= 0, nxpk= 0, iat=2514,2554, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, / # # 177 SER H 177 SER HA 2.900 &rst ixpk= 0, nxpk= 0, iat=2547,2549, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 177 SER H 177 SER HG 3.360 &rst ixpk= 0, nxpk= 0, iat=2547,2554, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, / # # 177 SER H 178 TYR H 4.380 &rst ixpk= 0, nxpk= 0, iat=2547,2558, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 177 SER H 178 TYR HA 4.750 &rst ixpk= 0, nxpk= 0, iat=2547,2560, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, / # # 177 SER HA 177 SER HG 3.370 &rst ixpk= 0, nxpk= 0, iat=2549,2554, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, / # # 177 SER HA 178 TYR H 2.340 &rst ixpk= 0, nxpk= 0, iat=2549,2558, r1= 1.30, r2= 1.80, r3= 2.34, r4= 2.84, / # # 177 SER HA 178 TYR HA 4.460 &rst ixpk= 0, nxpk= 0, iat=2549,2560, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 177 SER HA 178 TYR HH 5.980 &rst ixpk= 0, nxpk= 0, iat=2549,2571, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, / # # 177 SER HG 178 TYR H 3.300 &rst ixpk= 0, nxpk= 0, iat=2554,2558, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, / # # 177 SER HG 178 TYR HA 3.740 &rst ixpk= 0, nxpk= 0, iat=2554,2560, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, / # # 177 SER HG 179 VAL H 5.460 &rst ixpk= 0, nxpk= 0, iat=2554,2579, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, / # # 178 TYR H 178 TYR HA 2.930 &rst ixpk= 0, nxpk= 0, iat=2558,2560, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 178 TYR H 179 VAL H 4.430 &rst ixpk= 0, nxpk= 0, iat=2558,2579, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 178 TYR H 179 VAL HA 4.800 &rst ixpk= 0, nxpk= 0, iat=2558,2581, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 178 TYR HA 179 VAL H 2.440 &rst ixpk= 0, nxpk= 0, iat=2560,2579, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94, / # # 178 TYR HA 179 VAL HA 4.490 &rst ixpk= 0, nxpk= 0, iat=2560,2581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 178 TYR HA 179 VAL HB 5.620 &rst ixpk= 0, nxpk= 0, iat=2560,2583, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 179 VAL H 179 VAL HA 2.930 &rst ixpk= 0, nxpk= 0, iat=2579,2581, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 179 VAL H 179 VAL HB 3.900 &rst ixpk= 0, nxpk= 0, iat=2579,2583, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 179 VAL H 180 LEU H 4.300 &rst ixpk= 0, nxpk= 0, iat=2579,2595, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, / # # 179 VAL H 180 LEU HA 4.920 &rst ixpk= 0, nxpk= 0, iat=2579,2597, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 179 VAL H 181 GLY H 5.590 &rst ixpk= 0, nxpk= 0, iat=2579,2614, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 179 VAL HA 179 VAL HB 2.410 &rst ixpk= 0, nxpk= 0, iat=2581,2583, r1= 1.30, r2= 1.80, r3= 2.41, r4= 2.91, / # # 179 VAL HA 180 LEU H 2.190 &rst ixpk= 0, nxpk= 0, iat=2581,2595, r1= 1.30, r2= 1.80, r3= 2.19, r4= 2.69, / # # 179 VAL HA 180 LEU HA 4.330 &rst ixpk= 0, nxpk= 0, iat=2581,2597, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 179 VAL HA 181 GLY H 5.840 &rst ixpk= 0, nxpk= 0, iat=2581,2614, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, / # # 179 VAL HB 180 LEU H 3.060 &rst ixpk= 0, nxpk= 0, iat=2583,2595, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, / # # 180 LEU H 180 LEU HA 2.740 &rst ixpk= 0, nxpk= 0, iat=2595,2597, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, / # # 180 LEU H 180 LEU HG 4.310 &rst ixpk= 0, nxpk= 0, iat=2595,2602, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 180 LEU H 181 GLY H 4.510 &rst ixpk= 0, nxpk= 0, iat=2595,2614, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 180 LEU H 207 TYR HH 4.680 &rst ixpk= 0, nxpk= 0, iat=2595,3011, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, / # # 180 LEU HA 180 LEU HG 3.270 &rst ixpk= 0, nxpk= 0, iat=2597,2602, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, / # # 180 LEU HA 181 GLY H 2.150 &rst ixpk= 0, nxpk= 0, iat=2597,2614, r1= 1.30, r2= 1.80, r3= 2.15, r4= 2.65, / # # 180 LEU HA 184 SER HG 5.130 &rst ixpk= 0, nxpk= 0, iat=2597,2654, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, / # # 180 LEU HG 181 GLY H 3.690 &rst ixpk= 0, nxpk= 0, iat=2602,2614, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, / # # 180 LEU HG 184 SER H 5.590 &rst ixpk= 0, nxpk= 0, iat=2602,2647, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, / # # 180 LEU HG 184 SER HA 5.820 &rst ixpk= 0, nxpk= 0, iat=2602,2649, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, / # # 180 LEU HG 184 SER HG 4.280 &rst ixpk= 0, nxpk= 0, iat=2602,2654, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, / # # 180 LEU HG 207 TYR HH 5.050 &rst ixpk= 0, nxpk= 0, iat=2602,3011, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 181 GLY H 182 LEU H 4.630 &rst ixpk= 0, nxpk= 0, iat=2614,2621, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, / # # 181 GLY H 182 LEU HA 5.680 &rst ixpk= 0, nxpk= 0, iat=2614,2623, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, / # # 181 GLY H 184 SER HG 3.250 &rst ixpk= 0, nxpk= 0, iat=2614,2654, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, / # # 182 LEU H 182 LEU HA 2.810 &rst ixpk= 0, nxpk= 0, iat=2621,2623, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 182 LEU H 182 LEU HG 4.350 &rst ixpk= 0, nxpk= 0, iat=2621,2628, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 182 LEU H 183 GLY H 4.620 &rst ixpk= 0, nxpk= 0, iat=2621,2640, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, / # # 182 LEU H 184 SER H 4.650 &rst ixpk= 0, nxpk= 0, iat=2621,2647, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 182 LEU H 184 SER HG 5.160 &rst ixpk= 0, nxpk= 0, iat=2621,2654, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, / # # 182 LEU HA 182 LEU HG 3.050 &rst ixpk= 0, nxpk= 0, iat=2623,2628, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, / # # 182 LEU HA 184 SER H 3.500 &rst ixpk= 0, nxpk= 0, iat=2623,2647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 182 LEU HA 207 TYR HA 4.740 &rst ixpk= 0, nxpk= 0, iat=2623,3000, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 182 LEU HA 208 THR H 5.370 &rst ixpk= 0, nxpk= 0, iat=2623,3019, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 182 LEU HG 183 GLY H 2.630 &rst ixpk= 0, nxpk= 0, iat=2628,2640, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, / # # 182 LEU HG 184 SER H 5.140 &rst ixpk= 0, nxpk= 0, iat=2628,2647, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, / # # 182 LEU HG 207 TYR H 5.620 &rst ixpk= 0, nxpk= 0, iat=2628,2998, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 182 LEU HG 208 THR H 5.540 &rst ixpk= 0, nxpk= 0, iat=2628,3019, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, / # # 182 LEU HG 208 THR HA 3.710 &rst ixpk= 0, nxpk= 0, iat=2628,3021, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, / # # 182 LEU HG 209 LEU H 4.440 &rst ixpk= 0, nxpk= 0, iat=2628,3033, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, / # # 182 LEU HG 209 LEU HA 5.280 &rst ixpk= 0, nxpk= 0, iat=2628,3035, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 182 LEU HG 209 LEU HG 4.100 &rst ixpk= 0, nxpk= 0, iat=2628,3040, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, / # # 183 GLY H 184 SER H 2.900 &rst ixpk= 0, nxpk= 0, iat=2640,2647, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, / # # 183 GLY H 184 SER HA 5.260 &rst ixpk= 0, nxpk= 0, iat=2640,2649, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, / # # 183 GLY H 184 SER HG 5.440 &rst ixpk= 0, nxpk= 0, iat=2640,2654, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, / # # 183 GLY H 206 CYX HA 5.520 &rst ixpk= 0, nxpk= 0, iat=2640,2990, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, / # # 183 GLY H 207 TYR HA 4.450 &rst ixpk= 0, nxpk= 0, iat=2640,3000, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, / # # 183 GLY H 208 THR H 4.980 &rst ixpk= 0, nxpk= 0, iat=2640,3019, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, / # # 183 GLY H 208 THR HA 4.160 &rst ixpk= 0, nxpk= 0, iat=2640,3021, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, / # # 183 GLY H 209 LEU H 5.900 &rst ixpk= 0, nxpk= 0, iat=2640,3033, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 184 SER H 184 SER HA 2.810 &rst ixpk= 0, nxpk= 0, iat=2647,2649, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 184 SER H 184 SER HG 2.570 &rst ixpk= 0, nxpk= 0, iat=2647,2654, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, / # # 184 SER H 185 CYX H 4.610 &rst ixpk= 0, nxpk= 0, iat=2647,2658, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 184 SER H 185 CYX HA 5.490 &rst ixpk= 0, nxpk= 0, iat=2647,2660, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, / # # 184 SER H 206 CYX HA 5.510 &rst ixpk= 0, nxpk= 0, iat=2647,2990, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 184 SER H 207 TYR H 3.840 &rst ixpk= 0, nxpk= 0, iat=2647,2998, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, / # # 184 SER HA 184 SER HG 3.180 &rst ixpk= 0, nxpk= 0, iat=2649,2654, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, / # # 184 SER HA 185 CYX H 2.200 &rst ixpk= 0, nxpk= 0, iat=2649,2658, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, / # # 184 SER HA 185 CYX HA 4.390 &rst ixpk= 0, nxpk= 0, iat=2649,2660, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 184 SER HA 206 CYX HA 5.420 &rst ixpk= 0, nxpk= 0, iat=2649,2990, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 184 SER HA 207 TYR H 5.010 &rst ixpk= 0, nxpk= 0, iat=2649,2998, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, / # # 184 SER HG 185 CYX H 4.640 &rst ixpk= 0, nxpk= 0, iat=2654,2658, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 185 CYX H 185 CYX HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2658,2660, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 185 CYX H 186 VAL H 4.510 &rst ixpk= 0, nxpk= 0, iat=2658,2668, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 185 CYX H 186 VAL HA 5.050 &rst ixpk= 0, nxpk= 0, iat=2658,2670, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 185 CYX H 206 CYX HA 4.630 &rst ixpk= 0, nxpk= 0, iat=2658,2990, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, / # # 185 CYX H 207 TYR H 5.300 &rst ixpk= 0, nxpk= 0, iat=2658,2998, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 185 CYX HA 186 VAL H 2.370 &rst ixpk= 0, nxpk= 0, iat=2660,2668, r1= 1.30, r2= 1.80, r3= 2.37, r4= 2.87, / # # 185 CYX HA 186 VAL HA 4.490 &rst ixpk= 0, nxpk= 0, iat=2660,2670, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 185 CYX HA 186 VAL HB 4.460 &rst ixpk= 0, nxpk= 0, iat=2660,2672, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 185 CYX HA 205 THR H 4.550 &rst ixpk= 0, nxpk= 0, iat=2660,2974, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 185 CYX HA 205 THR HB 5.630 &rst ixpk= 0, nxpk= 0, iat=2660,2978, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, / # # 185 CYX HA 206 CYX H 4.360 &rst ixpk= 0, nxpk= 0, iat=2660,2988, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 185 CYX HA 206 CYX HA 2.020 &rst ixpk= 0, nxpk= 0, iat=2660,2990, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52, / # # 185 CYX HA 207 TYR H 3.870 &rst ixpk= 0, nxpk= 0, iat=2660,2998, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, / # # 186 VAL H 186 VAL HA 2.920 &rst ixpk= 0, nxpk= 0, iat=2668,2670, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, / # # 186 VAL H 186 VAL HB 2.860 &rst ixpk= 0, nxpk= 0, iat=2668,2672, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, / # # 186 VAL H 187 ASN H 4.250 &rst ixpk= 0, nxpk= 0, iat=2668,2684, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, / # # 186 VAL H 187 ASN HA 4.640 &rst ixpk= 0, nxpk= 0, iat=2668,2686, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, / # # 186 VAL H 188 HIET H 5.600 &rst ixpk= 0, nxpk= 0, iat=2668,2698, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, / # # 186 VAL H 204 THR HA 4.320 &rst ixpk= 0, nxpk= 0, iat=2668,2962, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, / # # 186 VAL H 204 THR HB 5.970 &rst ixpk= 0, nxpk= 0, iat=2668,2964, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 186 VAL H 205 THR H 2.830 &rst ixpk= 0, nxpk= 0, iat=2668,2974, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, / # # 186 VAL H 205 THR HA 4.700 &rst ixpk= 0, nxpk= 0, iat=2668,2976, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 186 VAL H 206 CYX H 4.940 &rst ixpk= 0, nxpk= 0, iat=2668,2988, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 186 VAL H 206 CYX HA 3.520 &rst ixpk= 0, nxpk= 0, iat=2668,2990, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, / # # 186 VAL H 207 TYR H 5.880 &rst ixpk= 0, nxpk= 0, iat=2668,2998, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, / # # 186 VAL HA 186 VAL HB 3.020 &rst ixpk= 0, nxpk= 0, iat=2670,2672, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 186 VAL HA 187 ASN H 2.170 &rst ixpk= 0, nxpk= 0, iat=2670,2684, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67, / # # 186 VAL HA 187 ASN HA 4.360 &rst ixpk= 0, nxpk= 0, iat=2670,2686, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 186 VAL HA 188 HIET H 5.620 &rst ixpk= 0, nxpk= 0, iat=2670,2698, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, / # # 186 VAL HA 204 THR HA 5.520 &rst ixpk= 0, nxpk= 0, iat=2670,2962, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, / # # 186 VAL HA 205 THR H 4.990 &rst ixpk= 0, nxpk= 0, iat=2670,2974, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 186 VAL HB 187 ASN HA 5.050 &rst ixpk= 0, nxpk= 0, iat=2672,2686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 186 VAL HB 188 HIET H 5.180 &rst ixpk= 0, nxpk= 0, iat=2672,2698, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 186 VAL HB 188 HIET HA 5.450 &rst ixpk= 0, nxpk= 0, iat=2672,2700, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 186 VAL HB 204 THR HA 5.600 &rst ixpk= 0, nxpk= 0, iat=2672,2962, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, / # # 186 VAL HB 205 THR H 4.350 &rst ixpk= 0, nxpk= 0, iat=2672,2974, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, / # # 186 VAL HB 206 CYX HA 5.030 &rst ixpk= 0, nxpk= 0, iat=2672,2990, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, / # # 187 ASN H 187 ASN HA 2.910 &rst ixpk= 0, nxpk= 0, iat=2684,2686, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 187 ASN H 188 HIET H 4.310 &rst ixpk= 0, nxpk= 0, iat=2684,2698, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 187 ASN H 188 HIET HA 5.200 &rst ixpk= 0, nxpk= 0, iat=2684,2700, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 187 ASN H 190 HID H 4.890 &rst ixpk= 0, nxpk= 0, iat=2684,2734, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 187 ASN H 204 THR HA 4.880 &rst ixpk= 0, nxpk= 0, iat=2684,2962, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, / # # 187 ASN HA 188 HIET H 2.150 &rst ixpk= 0, nxpk= 0, iat=2686,2698, r1= 1.30, r2= 1.80, r3= 2.15, r4= 2.65, / # # 187 ASN HA 188 HIET HA 4.430 &rst ixpk= 0, nxpk= 0, iat=2686,2700, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 187 ASN HA 189 LEU H 3.450 &rst ixpk= 0, nxpk= 0, iat=2686,2715, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, / # # 187 ASN HA 190 HID H 4.700 &rst ixpk= 0, nxpk= 0, iat=2686,2734, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, / # # 187 ASN HA 202 ASN HA 5.830 &rst ixpk= 0, nxpk= 0, iat=2686,2927, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 187 ASN HA 203 TYR H 4.760 &rst ixpk= 0, nxpk= 0, iat=2686,2939, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, / # # 187 ASN HA 203 TYR HA 5.730 &rst ixpk= 0, nxpk= 0, iat=2686,2941, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, / # # 187 ASN HA 204 THR H 4.920 &rst ixpk= 0, nxpk= 0, iat=2686,2960, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, / # # 187 ASN HA 204 THR HA 2.490 &rst ixpk= 0, nxpk= 0, iat=2686,2962, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, / # # 187 ASN HA 204 THR HB 4.940 &rst ixpk= 0, nxpk= 0, iat=2686,2964, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 187 ASN HA 205 THR H 3.800 &rst ixpk= 0, nxpk= 0, iat=2686,2974, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, / # # 188 HIET H 188 HIET HA 2.780 &rst ixpk= 0, nxpk= 0, iat=2698,2700, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, / # # 188 HIET H 189 LEU H 2.700 &rst ixpk= 0, nxpk= 0, iat=2698,2715, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, / # # 188 HIET H 189 LEU HA 5.240 &rst ixpk= 0, nxpk= 0, iat=2698,2717, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 188 HIET H 190 HID H 4.330 &rst ixpk= 0, nxpk= 0, iat=2698,2734, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 188 HIET H 162 CYM H 5.750 &rst ixpk= 0, nxpk= 0, iat=2698,2751, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 188 HIET H 201 GLN H 5.650 &rst ixpk= 0, nxpk= 0, iat=2698,2908, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, / # # 188 HIET H 202 ASN HA 5.640 &rst ixpk= 0, nxpk= 0, iat=2698,2927, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, / # # 188 HIET H 203 TYR H 3.890 &rst ixpk= 0, nxpk= 0, iat=2698,2939, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, / # # 188 HIET H 203 TYR HA 5.350 &rst ixpk= 0, nxpk= 0, iat=2698,2941, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 188 HIET H 204 THR H 5.150 &rst ixpk= 0, nxpk= 0, iat=2698,2960, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 188 HIET H 205 THR H 4.240 &rst ixpk= 0, nxpk= 0, iat=2698,2974, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 188 HIET HA 189 LEU H 3.440 &rst ixpk= 0, nxpk= 0, iat=2700,2715, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, / # # 188 HIET HA 189 LEU HA 4.840 &rst ixpk= 0, nxpk= 0, iat=2700,2717, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, / # # 188 HIET HA 190 HID H 3.530 &rst ixpk= 0, nxpk= 0, iat=2700,2734, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, / # # 188 HIET HA 190 HID HA 5.930 &rst ixpk= 0, nxpk= 0, iat=2700,2736, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, / # # 188 HIET HA 162 CYM H 3.660 &rst ixpk= 0, nxpk= 0, iat=2700,2751, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, / # # 188 HIET HA 162 CYM HA 4.600 &rst ixpk= 0, nxpk= 0, iat=2700,2753, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, / # # 188 HIET HA 198 TRP H 5.970 &rst ixpk= 0, nxpk= 0, iat=2700,2847, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, / # # 188 HIET HA 199 LYS HA 4.490 &rst ixpk= 0, nxpk= 0, iat=2700,2873, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 188 HIET HA 200 GLU H 4.870 &rst ixpk= 0, nxpk= 0, iat=2700,2893, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 188 HIET HA 203 TYR H 5.640 &rst ixpk= 0, nxpk= 0, iat=2700,2939, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, / # # 188 HIET HA 204 THR HA 5.910 &rst ixpk= 0, nxpk= 0, iat=2700,2962, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, / # # 189 LEU H 189 LEU HA 2.790 &rst ixpk= 0, nxpk= 0, iat=2715,2717, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 189 LEU H 189 LEU HG 4.430 &rst ixpk= 0, nxpk= 0, iat=2715,2722, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, / # # 189 LEU H 190 HID H 2.670 &rst ixpk= 0, nxpk= 0, iat=2715,2734, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, / # # 189 LEU H 190 HID HA 5.300 &rst ixpk= 0, nxpk= 0, iat=2715,2736, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, / # # 189 LEU H 162 CYM H 4.400 &rst ixpk= 0, nxpk= 0, iat=2715,2751, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 189 LEU H 199 LYS HA 5.770 &rst ixpk= 0, nxpk= 0, iat=2715,2873, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 189 LEU H 200 GLU H 4.940 &rst ixpk= 0, nxpk= 0, iat=2715,2893, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, / # # 189 LEU H 200 GLU HA 5.200 &rst ixpk= 0, nxpk= 0, iat=2715,2895, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 189 LEU H 201 GLN H 4.030 &rst ixpk= 0, nxpk= 0, iat=2715,2908, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, / # # 189 LEU H 201 GLN HA 5.750 &rst ixpk= 0, nxpk= 0, iat=2715,2910, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 189 LEU H 202 ASN H 5.760 &rst ixpk= 0, nxpk= 0, iat=2715,2925, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, / # # 189 LEU H 202 ASN HA 4.020 &rst ixpk= 0, nxpk= 0, iat=2715,2927, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 189 LEU H 203 TYR H 3.350 &rst ixpk= 0, nxpk= 0, iat=2715,2939, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, / # # 189 LEU H 203 TYR HA 5.900 &rst ixpk= 0, nxpk= 0, iat=2715,2941, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, / # # 189 LEU H 204 THR HA 5.150 &rst ixpk= 0, nxpk= 0, iat=2715,2962, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, / # # 189 LEU HA 189 LEU HG 3.270 &rst ixpk= 0, nxpk= 0, iat=2717,2722, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, / # # 189 LEU HA 190 HID H 3.430 &rst ixpk= 0, nxpk= 0, iat=2717,2734, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, / # # 189 LEU HA 190 HID HA 4.550 &rst ixpk= 0, nxpk= 0, iat=2717,2736, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, / # # 189 LEU HA 162 CYM H 3.810 &rst ixpk= 0, nxpk= 0, iat=2717,2751, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 189 LEU HA 199 LYS HA 4.670 &rst ixpk= 0, nxpk= 0, iat=2717,2873, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, / # # 189 LEU HA 200 GLU H 3.020 &rst ixpk= 0, nxpk= 0, iat=2717,2893, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 189 LEU HA 200 GLU HA 2.470 &rst ixpk= 0, nxpk= 0, iat=2717,2895, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97, / # # 189 LEU HA 201 GLN H 2.310 &rst ixpk= 0, nxpk= 0, iat=2717,2908, r1= 1.30, r2= 1.80, r3= 2.31, r4= 2.81, / # # 189 LEU HA 202 ASN H 4.990 &rst ixpk= 0, nxpk= 0, iat=2717,2925, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, / # # 189 LEU HA 202 ASN HA 4.400 &rst ixpk= 0, nxpk= 0, iat=2717,2927, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 189 LEU HA 203 TYR H 4.490 &rst ixpk= 0, nxpk= 0, iat=2717,2939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, / # # 189 LEU HG 190 HID H 4.060 &rst ixpk= 0, nxpk= 0, iat=2722,2734, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, / # # 189 LEU HG 190 HID HA 3.960 &rst ixpk= 0, nxpk= 0, iat=2722,2736, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, / # # 189 LEU HG 162 CYM H 5.350 &rst ixpk= 0, nxpk= 0, iat=2722,2751, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, / # # 189 LEU HG 200 GLU H 5.690 &rst ixpk= 0, nxpk= 0, iat=2722,2893, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, / # # 189 LEU HG 201 GLN H 5.470 &rst ixpk= 0, nxpk= 0, iat=2722,2908, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, / # # 189 LEU HG 202 ASN HA 5.050 &rst ixpk= 0, nxpk= 0, iat=2722,2927, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 190 HID H 190 HID HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2734,2736, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 190 HID H 162 CYM H 2.650 &rst ixpk= 0, nxpk= 0, iat=2734,2751, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, / # # 190 HID H 162 CYM HA 4.650 &rst ixpk= 0, nxpk= 0, iat=2734,2753, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 190 HID H 199 LYS HA 5.810 &rst ixpk= 0, nxpk= 0, iat=2734,2873, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, / # # 190 HID H 200 GLU H 4.720 &rst ixpk= 0, nxpk= 0, iat=2734,2893, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, / # # 190 HID H 200 GLU HA 5.050 &rst ixpk= 0, nxpk= 0, iat=2734,2895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 190 HID H 203 TYR H 5.990 &rst ixpk= 0, nxpk= 0, iat=2734,2939, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, / # # 190 HID HA 162 CYM H 3.310 &rst ixpk= 0, nxpk= 0, iat=2736,2751, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, / # # 190 HID HA 162 CYM HA 4.850 &rst ixpk= 0, nxpk= 0, iat=2736,2753, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, / # # 190 HID HA 200 GLU H 5.050 &rst ixpk= 0, nxpk= 0, iat=2736,2893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 190 HID HA 200 GLU HA 4.780 &rst ixpk= 0, nxpk= 0, iat=2736,2895, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 162 CYM H 162 CYM HA 2.930 &rst ixpk= 0, nxpk= 0, iat=2751,2753, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 162 CYM H 199 LYS HA 3.980 &rst ixpk= 0, nxpk= 0, iat=2751,2873, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 162 CYM H 200 GLU H 3.080 &rst ixpk= 0, nxpk= 0, iat=2751,2893, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, / # # 162 CYM H 200 GLU HA 4.180 &rst ixpk= 0, nxpk= 0, iat=2751,2895, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, / # # 162 CYM H 201 GLN H 4.830 &rst ixpk= 0, nxpk= 0, iat=2751,2908, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 162 CYM HA 193 THR H 4.010 &rst ixpk= 0, nxpk= 0, iat=2753,2775, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, / # # 162 CYM HA 199 LYS HA 5.500 &rst ixpk= 0, nxpk= 0, iat=2753,2873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 162 CYM HA 200 GLU H 5.500 &rst ixpk= 0, nxpk= 0, iat=2753,2893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 193 THR H 193 THR HA 2.760 &rst ixpk= 0, nxpk= 0, iat=2775,2777, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, / # # 193 THR H 193 THR HB 3.620 &rst ixpk= 0, nxpk= 0, iat=2775,2779, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, / # # 193 THR H 194 ASP H 4.610 &rst ixpk= 0, nxpk= 0, iat=2775,2789, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 193 THR H 194 ASP HA 5.680 &rst ixpk= 0, nxpk= 0, iat=2775,2791, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, / # # 193 THR HA 193 THR HB 2.480 &rst ixpk= 0, nxpk= 0, iat=2777,2779, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98, / # # 193 THR HA 194 ASP H 2.200 &rst ixpk= 0, nxpk= 0, iat=2777,2789, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, / # # 193 THR HA 194 ASP HA 4.340 &rst ixpk= 0, nxpk= 0, iat=2777,2791, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 193 THR HA 167 CYM H 4.870 &rst ixpk= 0, nxpk= 0, iat=2777,2823, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 193 THR HA 199 LYS HZ1 5.670 &rst ixpk= 0, nxpk= 0, iat=2777,2887, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, / # # 193 THR HB 194 ASP H 2.980 &rst ixpk= 0, nxpk= 0, iat=2779,2789, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, / # # 193 THR HB 194 ASP HA 4.910 &rst ixpk= 0, nxpk= 0, iat=2779,2791, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 193 THR HB 167 CYM H 3.760 &rst ixpk= 0, nxpk= 0, iat=2779,2823, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, / # # 194 ASP H 194 ASP HA 2.840 &rst ixpk= 0, nxpk= 0, iat=2789,2791, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 194 ASP H 167 CYM H 4.240 &rst ixpk= 0, nxpk= 0, iat=2789,2823, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 194 ASP H 199 LYS HZ2 5.240 &rst ixpk= 0, nxpk= 0, iat=2789,2888, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 194 ASP H 199 LYS HZ3 5.330 &rst ixpk= 0, nxpk= 0, iat=2789,2889, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, / # # 194 ASP HA 167 CYM H 3.560 &rst ixpk= 0, nxpk= 0, iat=2791,2823, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, / # # 194 ASP HA 199 LYS HZ1 3.640 &rst ixpk= 0, nxpk= 0, iat=2791,2887, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, / # # 194 ASP HA 199 LYS HZ2 3.680 &rst ixpk= 0, nxpk= 0, iat=2791,2888, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, / # # 194 ASP HA 199 LYS HZ3 3.700 &rst ixpk= 0, nxpk= 0, iat=2791,2889, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, / # # 167 CYM H 167 CYM HA 2.880 &rst ixpk= 0, nxpk= 0, iat=2823,2825, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, / # # 167 CYM H 197 PRO HA 5.420 &rst ixpk= 0, nxpk= 0, iat=2823,2843, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, / # # 167 CYM H 198 TRP H 5.690 &rst ixpk= 0, nxpk= 0, iat=2823,2847, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, / # # 167 CYM H 199 LYS H 5.750 &rst ixpk= 0, nxpk= 0, iat=2823,2871, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 167 CYM H 199 LYS HA 5.960 &rst ixpk= 0, nxpk= 0, iat=2823,2873, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, / # # 167 CYM HA 197 PRO HA 4.480 &rst ixpk= 0, nxpk= 0, iat=2825,2843, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 167 CYM HA 198 TRP H 3.650 &rst ixpk= 0, nxpk= 0, iat=2825,2847, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, / # # 167 CYM HA 198 TRP HZ3 5.510 &rst ixpk= 0, nxpk= 0, iat=2825,2864, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, / # # 167 CYM HA 199 LYS H 5.180 &rst ixpk= 0, nxpk= 0, iat=2825,2871, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, / # # 167 CYM HA 199 LYS HA 5.750 &rst ixpk= 0, nxpk= 0, iat=2825,2873, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, / # # 197 PRO HA 198 TRP H 3.510 &rst ixpk= 0, nxpk= 0, iat=2843,2847, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, / # # 197 PRO HA 198 TRP HA 4.570 &rst ixpk= 0, nxpk= 0, iat=2843,2849, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 197 PRO HA 199 LYS H 3.980 &rst ixpk= 0, nxpk= 0, iat=2843,2871, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, / # # 198 TRP H 198 TRP HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2847,2849, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 198 TRP H 198 TRP HZ3 4.900 &rst ixpk= 0, nxpk= 0, iat=2847,2864, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 198 TRP H 199 LYS H 3.040 &rst ixpk= 0, nxpk= 0, iat=2847,2871, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, / # # 198 TRP H 199 LYS HA 4.530 &rst ixpk= 0, nxpk= 0, iat=2847,2873, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, / # # 198 TRP HA 199 LYS H 2.730 &rst ixpk= 0, nxpk= 0, iat=2849,2871, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, / # # 198 TRP HA 199 LYS HA 4.690 &rst ixpk= 0, nxpk= 0, iat=2849,2873, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, / # # 198 TRP HA 200 GLU H 5.950 &rst ixpk= 0, nxpk= 0, iat=2849,2893, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, / # # 198 TRP HA 201 GLN H 4.870 &rst ixpk= 0, nxpk= 0, iat=2849,2908, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, / # # 198 TRP HA 201 GLN HA 5.770 &rst ixpk= 0, nxpk= 0, iat=2849,2910, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, / # # 198 TRP HZ3 198 TRP HZ2 4.270 &rst ixpk= 0, nxpk= 0, iat=2864,2860, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 198 TRP HZ3 198 TRP HH2 2.440 &rst ixpk= 0, nxpk= 0, iat=2864,2862, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94, / # # 198 TRP HZ3 205 THR HB 5.050 &rst ixpk= 0, nxpk= 0, iat=2864,2978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, / # # 198 TRP HZ2 198 TRP HH2 2.460 &rst ixpk= 0, nxpk= 0, iat=2860,2862, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, / # # 198 TRP HH2 203 TYR HH 5.240 &rst ixpk= 0, nxpk= 0, iat=2862,2952, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, / # # 198 TRP HH2 205 THR HB 5.830 &rst ixpk= 0, nxpk= 0, iat=2862,2978, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 199 LYS H 199 LYS HA 2.820 &rst ixpk= 0, nxpk= 0, iat=2871,2873, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 199 LYS H 200 GLU H 4.580 &rst ixpk= 0, nxpk= 0, iat=2871,2893, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, / # # 199 LYS H 201 GLN H 4.830 &rst ixpk= 0, nxpk= 0, iat=2871,2908, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, / # # 199 LYS HA 200 GLU H 2.170 &rst ixpk= 0, nxpk= 0, iat=2873,2893, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67, / # # 199 LYS HA 200 GLU HA 4.380 &rst ixpk= 0, nxpk= 0, iat=2873,2895, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, / # # 199 LYS HA 201 GLN H 3.510 &rst ixpk= 0, nxpk= 0, iat=2873,2908, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, / # # 199 LYS HZ1 199 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat=2887,2888, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 199 LYS HZ1 199 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=2887,2889, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 199 LYS HZ2 199 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=2888,2889, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 200 GLU H 200 GLU HA 2.280 &rst ixpk= 0, nxpk= 0, iat=2893,2895, r1= 1.30, r2= 1.80, r3= 2.28, r4= 2.78, / # # 200 GLU H 201 GLN H 2.600 &rst ixpk= 0, nxpk= 0, iat=2893,2908, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, / # # 200 GLU H 201 GLN HA 5.250 &rst ixpk= 0, nxpk= 0, iat=2893,2910, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 200 GLU HA 201 GLN H 2.940 &rst ixpk= 0, nxpk= 0, iat=2895,2908, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 200 GLU HA 201 GLN HA 4.480 &rst ixpk= 0, nxpk= 0, iat=2895,2910, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 201 GLN H 201 GLN HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2908,2910, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 201 GLN H 202 ASN H 4.470 &rst ixpk= 0, nxpk= 0, iat=2908,2925, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 201 GLN H 202 ASN HA 5.040 &rst ixpk= 0, nxpk= 0, iat=2908,2927, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, / # # 201 GLN H 203 TYR H 4.360 &rst ixpk= 0, nxpk= 0, iat=2908,2939, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, / # # 201 GLN HA 202 ASN HA 4.330 &rst ixpk= 0, nxpk= 0, iat=2910,2927, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, / # # 201 GLN HA 203 TYR H 4.520 &rst ixpk= 0, nxpk= 0, iat=2910,2939, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, / # # 202 ASN H 202 ASN HA 2.870 &rst ixpk= 0, nxpk= 0, iat=2925,2927, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, / # # 202 ASN H 203 TYR H 3.640 &rst ixpk= 0, nxpk= 0, iat=2925,2939, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, / # # 202 ASN H 203 TYR HA 5.280 &rst ixpk= 0, nxpk= 0, iat=2925,2941, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, / # # 202 ASN HA 203 TYR H 2.540 &rst ixpk= 0, nxpk= 0, iat=2927,2939, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, / # # 202 ASN HA 203 TYR HA 4.410 &rst ixpk= 0, nxpk= 0, iat=2927,2941, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, / # # 203 TYR H 203 TYR HA 2.950 &rst ixpk= 0, nxpk= 0, iat=2939,2941, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 203 TYR H 204 THR H 4.270 &rst ixpk= 0, nxpk= 0, iat=2939,2960, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 203 TYR H 204 THR HA 4.810 &rst ixpk= 0, nxpk= 0, iat=2939,2962, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 203 TYR HA 204 THR H 2.140 &rst ixpk= 0, nxpk= 0, iat=2941,2960, r1= 1.30, r2= 1.80, r3= 2.14, r4= 2.64, / # # 203 TYR HA 204 THR HA 4.390 &rst ixpk= 0, nxpk= 0, iat=2941,2962, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, / # # 203 TYR HA 204 THR HB 4.580 &rst ixpk= 0, nxpk= 0, iat=2941,2964, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, / # # 203 TYR HH 205 THR HA 5.200 &rst ixpk= 0, nxpk= 0, iat=2952,2976, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 203 TYR HH 205 THR HB 5.160 &rst ixpk= 0, nxpk= 0, iat=2952,2978, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, / # # 204 THR H 204 THR HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2960,2962, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 204 THR H 204 THR HB 2.550 &rst ixpk= 0, nxpk= 0, iat=2960,2964, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, / # # 204 THR H 205 THR H 4.460 &rst ixpk= 0, nxpk= 0, iat=2960,2974, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 204 THR HA 204 THR HB 3.020 &rst ixpk= 0, nxpk= 0, iat=2962,2964, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 204 THR HA 205 THR H 2.170 &rst ixpk= 0, nxpk= 0, iat=2962,2974, r1= 1.30, r2= 1.80, r3= 2.17, r4= 2.67, / # # 204 THR HA 205 THR HA 4.420 &rst ixpk= 0, nxpk= 0, iat=2962,2976, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 204 THR HA 205 THR HB 5.680 &rst ixpk= 0, nxpk= 0, iat=2962,2978, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, / # # 204 THR HB 205 THR HA 4.730 &rst ixpk= 0, nxpk= 0, iat=2964,2976, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 205 THR H 205 THR HA 2.930 &rst ixpk= 0, nxpk= 0, iat=2974,2976, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, / # # 205 THR H 205 THR HB 3.860 &rst ixpk= 0, nxpk= 0, iat=2974,2978, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, / # # 205 THR H 206 CYX H 4.420 &rst ixpk= 0, nxpk= 0, iat=2974,2988, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 205 THR H 206 CYX HA 4.810 &rst ixpk= 0, nxpk= 0, iat=2974,2990, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 205 THR HA 205 THR HB 2.500 &rst ixpk= 0, nxpk= 0, iat=2976,2978, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, / # # 205 THR HA 206 CYX H 2.340 &rst ixpk= 0, nxpk= 0, iat=2976,2988, r1= 1.30, r2= 1.80, r3= 2.34, r4= 2.84, / # # 205 THR HA 206 CYX HA 4.460 &rst ixpk= 0, nxpk= 0, iat=2976,2990, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, / # # 205 THR HB 206 CYX H 2.550 &rst ixpk= 0, nxpk= 0, iat=2978,2988, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, / # # 205 THR HB 206 CYX HA 4.340 &rst ixpk= 0, nxpk= 0, iat=2978,2990, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 205 THR HB 207 TYR HA 5.850 &rst ixpk= 0, nxpk= 0, iat=2978,3000, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, / # # 206 CYX H 206 CYX HA 2.940 &rst ixpk= 0, nxpk= 0, iat=2988,2990, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, / # # 206 CYX H 207 TYR H 4.420 &rst ixpk= 0, nxpk= 0, iat=2988,2998, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, / # # 206 CYX H 207 TYR HA 4.910 &rst ixpk= 0, nxpk= 0, iat=2988,3000, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 206 CYX H 208 THR H 5.830 &rst ixpk= 0, nxpk= 0, iat=2988,3019, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 206 CYX HA 207 TYR H 2.530 &rst ixpk= 0, nxpk= 0, iat=2990,2998, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, / # # 206 CYX HA 207 TYR HA 4.340 &rst ixpk= 0, nxpk= 0, iat=2990,3000, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, / # # 207 TYR H 207 TYR HA 2.910 &rst ixpk= 0, nxpk= 0, iat=2998,3000, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 207 TYR H 208 THR H 4.480 &rst ixpk= 0, nxpk= 0, iat=2998,3019, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 207 TYR H 208 THR HA 5.250 &rst ixpk= 0, nxpk= 0, iat=2998,3021, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, / # # 207 TYR HA 208 THR H 2.140 &rst ixpk= 0, nxpk= 0, iat=3000,3019, r1= 1.30, r2= 1.80, r3= 2.14, r4= 2.64, / # # 207 TYR HA 208 THR HA 4.400 &rst ixpk= 0, nxpk= 0, iat=3000,3021, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, / # # 207 TYR HA 208 THR HB 5.700 &rst ixpk= 0, nxpk= 0, iat=3000,3023, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, / # # 208 THR H 208 THR HA 2.950 &rst ixpk= 0, nxpk= 0, iat=3019,3021, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, / # # 208 THR H 208 THR HB 3.810 &rst ixpk= 0, nxpk= 0, iat=3019,3023, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, / # # 208 THR H 209 LEU H 4.470 &rst ixpk= 0, nxpk= 0, iat=3019,3033, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, / # # 208 THR H 209 LEU HG 5.920 &rst ixpk= 0, nxpk= 0, iat=3019,3040, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, / # # 208 THR HA 208 THR HB 2.450 &rst ixpk= 0, nxpk= 0, iat=3021,3023, r1= 1.30, r2= 1.80, r3= 2.45, r4= 2.95, / # # 208 THR HA 209 LEU H 2.270 &rst ixpk= 0, nxpk= 0, iat=3021,3033, r1= 1.30, r2= 1.80, r3= 2.27, r4= 2.77, / # # 208 THR HA 209 LEU HA 4.310 &rst ixpk= 0, nxpk= 0, iat=3021,3035, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, / # # 208 THR HA 209 LEU HG 3.630 &rst ixpk= 0, nxpk= 0, iat=3021,3040, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, / # # 208 THR HB 209 LEU H 2.730 &rst ixpk= 0, nxpk= 0, iat=3023,3033, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, / # # 208 THR HB 209 LEU HA 4.910 &rst ixpk= 0, nxpk= 0, iat=3023,3035, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 208 THR HB 209 LEU HG 4.650 &rst ixpk= 0, nxpk= 0, iat=3023,3040, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, / # # 209 LEU H 209 LEU HA 2.810 &rst ixpk= 0, nxpk= 0, iat=3033,3035, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, / # # 209 LEU H 209 LEU HG 1.990 &rst ixpk= 0, nxpk= 0, iat=3033,3040, r1= 1.30, r2= 1.80, r3= 1.99, r4= 2.49, / # # 209 LEU HA 209 LEU HG 2.910 &rst ixpk= 0, nxpk= 0, iat=3035,3040, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 241 LYS H 241 LYS HA 2.820 &rst ixpk= 0, nxpk= 0, iat=3580,3582, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, / # # 241 LYS H 242 THR H 2.710 &rst ixpk= 0, nxpk= 0, iat=3580,3602, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, / # # 241 LYS H 242 THR HA 5.310 &rst ixpk= 0, nxpk= 0, iat=3580,3604, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, / # # 241 LYS H 242 THR HB 4.910 &rst ixpk= 0, nxpk= 0, iat=3580,3606, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, / # # 241 LYS H 243 ALA H 4.260 &rst ixpk= 0, nxpk= 0, iat=3580,3616, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, / # # 241 LYS H 244 LYS H 4.860 &rst ixpk= 0, nxpk= 0, iat=3580,3626, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, / # # 241 LYS H 245 GLU H 5.830 &rst ixpk= 0, nxpk= 0, iat=3580,3648, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, / # # 241 LYS HA 241 LYS HZ3 4.900 &rst ixpk= 0, nxpk= 0, iat=3582,3598, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, / # # 241 LYS HA 242 THR H 3.550 &rst ixpk= 0, nxpk= 0, iat=3582,3602, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, / # # 241 LYS HA 242 THR HA 4.800 &rst ixpk= 0, nxpk= 0, iat=3582,3604, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 241 LYS HA 242 THR HB 5.880 &rst ixpk= 0, nxpk= 0, iat=3582,3606, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, / # # 241 LYS HA 243 ALA H 4.740 &rst ixpk= 0, nxpk= 0, iat=3582,3616, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, / # # 241 LYS HA 244 LYS H 3.930 &rst ixpk= 0, nxpk= 0, iat=3582,3626, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, / # # 241 LYS HA 244 LYS HA 5.850 &rst ixpk= 0, nxpk= 0, iat=3582,3628, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, / # # 241 LYS HA 245 GLU H 4.020 &rst ixpk= 0, nxpk= 0, iat=3582,3648, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, / # # 241 LYS HA 245 GLU HA 5.680 &rst ixpk= 0, nxpk= 0, iat=3582,3650, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, / # # 241 LYS HZ1 241 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat=3596,3597, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 241 LYS HZ1 241 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=3596,3598, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 241 LYS HZ2 241 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=3597,3598, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 242 THR H 242 THR HA 2.800 &rst ixpk= 0, nxpk= 0, iat=3602,3604, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, / # # 242 THR H 242 THR HB 2.570 &rst ixpk= 0, nxpk= 0, iat=3602,3606, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, / # # 242 THR H 243 ALA H 2.790 &rst ixpk= 0, nxpk= 0, iat=3602,3616, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 242 THR H 243 ALA HA 5.370 &rst ixpk= 0, nxpk= 0, iat=3602,3618, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 242 THR H 244 LYS H 4.480 &rst ixpk= 0, nxpk= 0, iat=3602,3626, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, / # # 242 THR H 245 GLU H 4.610 &rst ixpk= 0, nxpk= 0, iat=3602,3648, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, / # # 242 THR HA 242 THR HB 3.020 &rst ixpk= 0, nxpk= 0, iat=3604,3606, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, / # # 242 THR HA 243 ALA H 3.560 &rst ixpk= 0, nxpk= 0, iat=3604,3616, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, / # # 242 THR HA 243 ALA HA 4.820 &rst ixpk= 0, nxpk= 0, iat=3604,3618, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 242 THR HA 244 LYS H 4.890 &rst ixpk= 0, nxpk= 0, iat=3604,3626, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, / # # 242 THR HA 245 GLU H 3.570 &rst ixpk= 0, nxpk= 0, iat=3604,3648, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 242 THR HB 243 ALA H 2.400 &rst ixpk= 0, nxpk= 0, iat=3606,3616, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 242 THR HB 243 ALA HA 4.170 &rst ixpk= 0, nxpk= 0, iat=3606,3618, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, / # # 242 THR HB 244 LYS H 5.190 &rst ixpk= 0, nxpk= 0, iat=3606,3626, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, / # # 242 THR HB 245 GLU H 5.370 &rst ixpk= 0, nxpk= 0, iat=3606,3648, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 242 THR HB 246 TRP H 5.840 &rst ixpk= 0, nxpk= 0, iat=3606,3663, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, / # # 243 ALA H 243 ALA HA 2.780 &rst ixpk= 0, nxpk= 0, iat=3616,3618, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, / # # 243 ALA H 244 LYS H 2.910 &rst ixpk= 0, nxpk= 0, iat=3616,3626, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, / # # 243 ALA H 244 LYS HA 5.450 &rst ixpk= 0, nxpk= 0, iat=3616,3628, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, / # # 243 ALA H 245 GLU H 3.960 &rst ixpk= 0, nxpk= 0, iat=3616,3648, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, / # # 243 ALA H 246 TRP H 4.960 &rst ixpk= 0, nxpk= 0, iat=3616,3663, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, / # # 243 ALA HA 244 LYS H 3.570 &rst ixpk= 0, nxpk= 0, iat=3618,3626, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, / # # 243 ALA HA 244 LYS HA 4.780 &rst ixpk= 0, nxpk= 0, iat=3618,3628, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, / # # 243 ALA HA 245 GLU H 4.240 &rst ixpk= 0, nxpk= 0, iat=3618,3648, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, / # # 243 ALA HA 246 TRP H 3.720 &rst ixpk= 0, nxpk= 0, iat=3618,3663, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, / # # 243 ALA HA 247 LEU H 4.090 &rst ixpk= 0, nxpk= 0, iat=3618,3687, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 244 LYS H 244 LYS HA 2.790 &rst ixpk= 0, nxpk= 0, iat=3626,3628, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 244 LYS H 245 GLU H 2.690 &rst ixpk= 0, nxpk= 0, iat=3626,3648, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, / # # 244 LYS H 245 GLU HA 5.270 &rst ixpk= 0, nxpk= 0, iat=3626,3650, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, / # # 244 LYS H 246 TRP H 4.560 &rst ixpk= 0, nxpk= 0, iat=3626,3663, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, / # # 244 LYS H 247 LEU H 4.800 &rst ixpk= 0, nxpk= 0, iat=3626,3687, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, / # # 244 LYS HA 245 GLU H 3.500 &rst ixpk= 0, nxpk= 0, iat=3628,3648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, / # # 244 LYS HA 245 GLU HA 4.820 &rst ixpk= 0, nxpk= 0, iat=3628,3650, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, / # # 244 LYS HA 246 TRP H 4.590 &rst ixpk= 0, nxpk= 0, iat=3628,3663, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, / # # 244 LYS HA 247 LEU H 3.490 &rst ixpk= 0, nxpk= 0, iat=3628,3687, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, / # # 244 LYS HA 247 LEU HG 4.570 &rst ixpk= 0, nxpk= 0, iat=3628,3694, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, / # # 244 LYS HZ1 244 LYS HZ2 1.690 &rst ixpk= 0, nxpk= 0, iat=3642,3643, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 244 LYS HZ1 244 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=3642,3644, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 244 LYS HZ2 244 LYS HZ3 1.690 &rst ixpk= 0, nxpk= 0, iat=3643,3644, r1= 1.19, r2= 1.69, r3= 1.69, r4= 2.19, / # # 245 GLU H 245 GLU HA 2.800 &rst ixpk= 0, nxpk= 0, iat=3648,3650, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, / # # 245 GLU H 246 TRP H 2.790 &rst ixpk= 0, nxpk= 0, iat=3648,3663, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, / # # 245 GLU H 246 TRP HA 5.370 &rst ixpk= 0, nxpk= 0, iat=3648,3665, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, / # # 245 GLU H 247 LEU H 4.090 &rst ixpk= 0, nxpk= 0, iat=3648,3687, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, / # # 245 GLU HA 246 TRP H 3.560 &rst ixpk= 0, nxpk= 0, iat=3650,3663, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, / # # 245 GLU HA 246 TRP HA 4.730 &rst ixpk= 0, nxpk= 0, iat=3650,3665, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, / # # 245 GLU HA 247 LEU H 4.710 &rst ixpk= 0, nxpk= 0, iat=3650,3687, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, / # # 246 TRP H 246 TRP HA 2.840 &rst ixpk= 0, nxpk= 0, iat=3663,3665, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, / # # 246 TRP H 247 LEU H 2.600 &rst ixpk= 0, nxpk= 0, iat=3663,3687, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, / # # 246 TRP HA 247 LEU H 3.540 &rst ixpk= 0, nxpk= 0, iat=3665,3687, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, / # # 246 TRP HA 247 LEU HA 4.810 &rst ixpk= 0, nxpk= 0, iat=3665,3689, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, / # # 246 TRP HZ3 246 TRP HZ2 4.270 &rst ixpk= 0, nxpk= 0, iat=3680,3676, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, / # # 246 TRP HZ3 246 TRP HH2 2.440 &rst ixpk= 0, nxpk= 0, iat=3680,3678, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94, / # # 246 TRP HZ3 247 LEU H 5.160 &rst ixpk= 0, nxpk= 0, iat=3680,3687, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, / # # 246 TRP HZ3 247 LEU HA 3.670 &rst ixpk= 0, nxpk= 0, iat=3680,3689, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, / # # 246 TRP HZ3 247 LEU HG 5.880 &rst ixpk= 0, nxpk= 0, iat=3680,3694, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, / # # 246 TRP HZ2 246 TRP HH2 2.460 &rst ixpk= 0, nxpk= 0, iat=3676,3678, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, / # # 246 TRP HH2 247 LEU HA 5.340 &rst ixpk= 0, nxpk= 0, iat=3678,3689, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, / # # 247 LEU H 247 LEU HA 2.800 &rst ixpk= 0, nxpk= 0, iat=3687,3689, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, / # # 247 LEU H 247 LEU HG 4.510 &rst ixpk= 0, nxpk= 0, iat=3687,3694, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, / # # 247 LEU HA 247 LEU HG 3.140 &rst ixpk= 0, nxpk= 0, iat=3689,3694, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, / # ---------------------------------------------------------- # Converting man_noe1.dist to Amber upper bounds # ---------------------------------------------------------- # # 291 LEU QB 9 DA H1' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, rk2=20, rk3=20, ir6=1, ialtd=0, igr1=4421,4422, / # # 291 LEU QB 9 DA H2 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=4421,4422, / # # 291 LEU QD2 9 DA H1' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4430,4431,4432, / # # 291 LEU QD2 9 DA H2 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4430,4431,4432, / # # 291 LEU HG 9 DA H1' 5.000 &rst ixpk= 0, nxpk= 0, iat=4424, 294, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 291 LEU HG 9 DA H2'' 5.000 &rst ixpk= 0, nxpk= 0, iat=4424, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 291 LEU HG 9 DA H2 5.000 &rst ixpk= 0, nxpk= 0, iat=4424, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 307 ILE QD1 9 DA H1' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4691,4692,4693, / # # 307 ILE QD1 9 DA H2 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4691,4692,4693, / # # 307 ILE QD1 9 DA H8 6.000 &rst ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=4691,4692,4693, / # # 310 SER H 4 DT H3 4.500 &rst ixpk= 0, nxpk= 0, iat=4733, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 310 SER HA 4 DT H3 4.500 &rst ixpk= 0, nxpk= 0, iat=4735, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 310 SER HB2 4 DT H3 4.000 &rst ixpk= 0, nxpk= 0, iat=4737, 149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 310 SER HB3 4 DT H3 4.000 &rst ixpk= 0, nxpk= 0, iat=4738, 149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 311 ARG H 4 DT H3 5.500 &rst ixpk= 0, nxpk= 0, iat=4744, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 311 ARG HA 5 DG H1' 5.000 &rst ixpk= 0, nxpk= 0, iat=4746, 169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 311 ARG HA 5 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat=4746, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 311 ARG HD2 5 DG H1' 5.500 &rst ixpk= 0, nxpk= 0, iat=4754, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 311 ARG HD2 5 DG H4' 4.000 &rst ixpk= 0, nxpk= 0, iat=4754, 166, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 311 ARG HD3 5 DG H1' 5.500 &rst ixpk= 0, nxpk= 0, iat=4755, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 311 ARG HD3 5 DG H4' 4.000 &rst ixpk= 0, nxpk= 0, iat=4755, 166, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 311 ARG HG2 5 DG H1' 5.500 &rst ixpk= 0, nxpk= 0, iat=4751, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 311 ARG HG2 5 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat=4751, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 311 ARG HG3 5 DG H1' 5.000 &rst ixpk= 0, nxpk= 0, iat=4752, 169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 311 ARG HG3 5 DG H4' 4.000 &rst ixpk= 0, nxpk= 0, iat=4752, 166, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 313 ASP HA 5 DG H22 5.500 &rst ixpk= 0, nxpk= 0, iat=4777, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 313 ASP HB2 5 DG H1 5.500 &rst ixpk= 0, nxpk= 0, iat=4779, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 313 ASP HB2 5 DG H21 5.000 &rst ixpk= 0, nxpk= 0, iat=4779, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 313 ASP HB2 5 DG H22 4.000 &rst ixpk= 0, nxpk= 0, iat=4779, 182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 313 ASP HB3 5 DG H21 5.000 &rst ixpk= 0, nxpk= 0, iat=4780, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 313 ASP HB3 5 DG H22 4.000 &rst ixpk= 0, nxpk= 0, iat=4780, 182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 314 TRP HB2 5 DG H1' 4.000 &rst ixpk= 0, nxpk= 0, iat=4791, 169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 314 TRP HB2 5 DG H1 5.500 &rst ixpk= 0, nxpk= 0, iat=4791, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP HB3 5 DG H1' 5.000 &rst ixpk= 0, nxpk= 0, iat=4792, 169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HE3 5 DG H1' 5.500 &rst ixpk= 0, nxpk= 0, iat=4806, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP H 5 DG H21 5.000 &rst ixpk= 0, nxpk= 0, iat=4787, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP H 5 DG H22 4.000 &rst ixpk= 0, nxpk= 0, iat=4787, 182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 314 TRP HE1 5 DG H1' 5.500 &rst ixpk= 0, nxpk= 0, iat=4797, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP HE1 5 DG H2' 5.000 &rst ixpk= 0, nxpk= 0, iat=4797, 188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HE1 5 DG H2'' 5.000 &rst ixpk= 0, nxpk= 0, iat=4797, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HE1 5 DG H3' 5.000 &rst ixpk= 0, nxpk= 0, iat=4797, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HZ3 5 DG H1 5.500 &rst ixpk= 0, nxpk= 0, iat=4804, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP HE3 5 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat=4806, 178, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HE3 5 DG H21 5.000 &rst ixpk= 0, nxpk= 0, iat=4806, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HE1 6 DC H2' 5.500 &rst ixpk= 0, nxpk= 0, iat=4797, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP HE1 6 DC H2'' 5.500 &rst ixpk= 0, nxpk= 0, iat=4797, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP HE1 6 DC H4' 4.000 &rst ixpk= 0, nxpk= 0, iat=4797, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 314 TRP HE1 6 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat=4797, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HE1 6 DC H5 5.500 &rst ixpk= 0, nxpk= 0, iat=4797, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 314 TRP HE1 6 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat=4797, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 314 TRP HZ2 6 DC H1' 5.000 &rst ixpk= 0, nxpk= 0, iat=4800, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 286 HIST HE1 6 DC H3' 5.000 &rst ixpk= 0, nxpk= 0, iat=4820, 216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 286 HIST HE1 6 DC H4' 3.000 &rst ixpk= 0, nxpk= 0, iat=4820, 199, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 286 HIST HE1 6 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat=4820, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 196, 197, / # # 286 HIST HB3 7 DT M7 5.500 &rst ixpk= 0, nxpk= 0, iat=4816, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 238, 239, 240, / # # 286 HIST HE1 7 DT H4' 5.500 &rst ixpk= 0, nxpk= 0, iat=4820, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 286 HIST HB2 9 DA H2 5.500 &rst ixpk= 0, nxpk= 0, iat=4815, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 317 ILE QD1 5 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4857,4858,4859, / # # 317 ILE QD1 5 DG H22 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4857,4858,4859, / # # 318 LEU QD1 6 DC H1' 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=4872,4873,4874, / # # 318 LEU QD1 6 DC H3' 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4872,4873,4874, / # # 318 LEU QD1 6 DC H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=4872,4873,4874, / # # 318 LEU QD1 6 DC H5 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4872,4873,4874, / # # 318 LEU QD1 6 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=4872,4873,4874, / # # 318 LEU QD1 6 DC Q5' 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=4872,4873,4874, igr2= 196, 197, / # # 318 LEU QD2 6 DC H1' 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4876,4877,4878, / # # 318 LEU QD2 6 DC H4' 6.000 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=4876,4877,4878, / # # 318 LEU QD2 6 DC H6 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=4876,4877,4878, / # # 318 LEU QD2 6 DC Q5' 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=4876,4877,4878, igr2= 196, 197, / # # 318 LEU QD1 7 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=4872,4873,4874, igr2= 238, 239, 240, / # # 340 LYS HG3 3 DG H1 5.500 &rst ixpk= 0, nxpk= 0, iat=5235, 113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 340 LYS HD3 3 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat=5238, 113, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 340 LYS HE2 3 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat=5240, 113, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 340 LYS HE3 3 DG H1 4.000 &rst ixpk= 0, nxpk= 0, iat=5241, 113, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 340 LYS HD2 4 DT H3 5.000 &rst ixpk= 0, nxpk= 0, iat=5237, 149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 340 LYS HD3 4 DT H3 5.500 &rst ixpk= 0, nxpk= 0, iat=5238, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 340 LYS HE2 4 DT H3 5.000 &rst ixpk= 0, nxpk= 0, iat=5240, 149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 340 LYS HE3 4 DT H3 5.000 &rst ixpk= 0, nxpk= 0, iat=5241, 149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 344 ASN HD22 345 GLU H 5.000 &rst ixpk= 0, nxpk= 0, iat=5306,5310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 347 TRP HH2 3 DG H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat=5362, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 347 TRP HH2 3 DG H5' 5.500 &rst ixpk= 0, nxpk= 0, iat=5362, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 347 TRP HH2 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat=5362, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 347 TRP HE3 3 DG H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5366, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 352 TYR HA 3 DG H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5440, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 352 TYR HA 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat=5440, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 352 TYR HD1 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat=5446, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 352 TYR HE1 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat=5448, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 352 TYR HE1 4 DT H3 5.000 &rst ixpk= 0, nxpk= 0, iat=5448, 149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 352 TYR HD1 5 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat=5446, 178, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 352 TYR HE1 5 DG H1 4.000 &rst ixpk= 0, nxpk= 0, iat=5448, 178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 352 TYR HE1 5 DG H21 4.000 &rst ixpk= 0, nxpk= 0, iat=5448, 181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 352 TYR HE1 5 DG H22 5.000 &rst ixpk= 0, nxpk= 0, iat=5448, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 352 TYR HE2 5 DG H21 5.500 &rst ixpk= 0, nxpk= 0, iat=5453, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 355 ILE QD1 3 DG H2' 6.000 &rst ixpk= 0, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=5508,5509,5510, / # # 355 ILE QD1 3 DG H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5508,5509,5510, / # # 355 ILE QD1 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5508,5509,5510, / # # 355 ILE QG1 3 DG H8 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=5505,5506, / # # 355 ILE QG2 3 DG H2' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5501,5502,5503, / # # 355 ILE QG2 3 DG H2'' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5501,5502,5503, / # # 355 ILE QG2 3 DG H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=5501,5502,5503, / # # 355 ILE QG2 3 DG H4' 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=5501,5502,5503, / # # 355 ILE QG2 3 DG H5'' 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=5501,5502,5503, / # # 355 ILE QG2 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5501,5502,5503, / # # 355 ILE HB 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat=5499, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 355 ILE QD1 4 DT M7 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=5508,5509,5510, igr2= 143, 144, 145, / # # 355 ILE QG1 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1=5505,5506, igr2= 143, 144, 145, / # # 355 ILE QG2 4 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5501,5502,5503, / # # 355 ILE QG2 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1=5501,5502,5503, igr2= 143, 144, 145, / # # 355 ILE QG2 5 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5501,5502,5503, / # # 356 THR H 5 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat=5514, 178, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 356 THR HA 5 DG H1 4.000 &rst ixpk= 0, nxpk= 0, iat=5516, 178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 356 THR HA 5 DG H21 5.000 &rst ixpk= 0, nxpk= 0, iat=5516, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 356 THR HB 5 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat=5518, 178, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 356 THR HB 5 DG H21 5.000 &rst ixpk= 0, nxpk= 0, iat=5518, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 356 THR HB 5 DG H22 5.500 &rst ixpk= 0, nxpk= 0, iat=5518, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 356 THR HG1 5 DG H1 3.000 &rst ixpk= 0, nxpk= 0, iat=5524, 178, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 356 THR HG1 5 DG H22 5.000 &rst ixpk= 0, nxpk= 0, iat=5524, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 356 THR QG2 5 DG H1 3.000 &rst ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=5520,5521,5522, / # # 356 THR QG2 5 DG H21 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=5520,5521,5522, / # # 356 THR QG2 5 DG H22 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=5520,5521,5522, / # # 359 LYS QE 5 DG H1 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=5571,5572, / # # 363 VAL QG1 6 DC H1' 4.500 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=5631,5632,5633, / # # 363 VAL QG1 6 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5631,5632,5633, / # # 363 VAL QG1 6 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5631,5632,5633, / # # 363 VAL QG2 6 DC H1' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5635,5636,5637, / # # 363 VAL QG2 6 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1=5635,5636,5637, / # # 363 VAL QG1 7 DT M7 6.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15, igr1=5631,5632,5633, igr2= 238, 239, 240, / # # 363 VAL QG2 7 DT M7 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=5635,5636,5637, igr2= 238, 239, 240, / # # 340 LYS HE2 400 ATP H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5240,5789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 340 LYS HE3 400 ATP H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5241,5789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 400 ATP PA 3 DG H21 5.000 &rst ixpk= 0, nxpk= 0, iat=5775, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP PA 3 DG H22 5.000 &rst ixpk= 0, nxpk= 0, iat=5775, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP PB 308 ASP CA 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4698, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 308 ASP CB 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4700, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 309 ARG CB 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4712, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 309 ARG CD 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4718, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 309 ARG N 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4708, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 310 SER N 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4732, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 309 ARG H 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4709, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 309 ARG HE 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4722, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PB 310 SER H 8.000 &rst ixpk= 0, nxpk= 0, iat=5771,4733, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PG 308 ASP CA 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 308 ASP CB 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 309 ARG CA 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 309 ARG CB 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 309 ARG CG 7.000 &rst ixpk= 0, nxpk= 0, iat=5767,4715, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, / # # 400 ATP PG 309 ARG CD 7.000 &rst ixpk= 0, nxpk= 0, iat=5767,4718, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, / # # 400 ATP PG 309 ARG CZ 8.000 &rst ixpk= 0, nxpk= 0, iat=5767,4723, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, / # # 400 ATP PG 309 ARG N 5.000 &rst ixpk= 0, nxpk= 0, iat=5767,4708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP PG 309 ARG NE 5.000 &rst ixpk= 0, nxpk= 0, iat=5767,4722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP PG 309 ARG NH1 7.000 &rst ixpk= 0, nxpk= 0, iat=5767, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=4725,4726, / # # 400 ATP PG 310 SER N 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4732, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 340 LYS NZ 8.000 &rst ixpk= 0, nxpk= 0, iat=5767, -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11, igr2=5243,5244,5245, / # # 400 ATP PG 308 ASP H 7.000 &rst ixpk= 0, nxpk= 0, iat=5767,4697, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, / # # 400 ATP PG 308 ASP HB2 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 308 ASP HB3 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4702, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 309 ARG H 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 309 ARG HE 5.000 &rst ixpk= 0, nxpk= 0, iat=5767,4722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP PG 310 SER H 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 400 ATP PG 311 ARG H 6.000 &rst ixpk= 0, nxpk= 0, iat=5767,4744, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # ---------------------------------------------------------- # Converting man_noe2.dist to Amber upper bounds # ---------------------------------------------------------- # # 400 ATP H1' 400 ATP H8 4.000 &rst ixpk= 0, nxpk= 0, iat=5786,5789, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, rk2=20, rk3=20, ir6=1, ialtd=0, / # # 400 ATP H2' 400 ATP H8 5.000 &rst ixpk= 0, nxpk= 0, iat=5806,5789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP H3' 400 ATP H8 5.000 &rst ixpk= 0, nxpk= 0, iat=5802,5789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP H5' 400 ATP H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5780,5789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 400 ATP H5'' 400 ATP H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5781,5789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 400 ATP H1' 400 ATP H2' 5.000 &rst ixpk= 0, nxpk= 0, iat=5786,5806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP H1' 400 ATP H3' 5.000 &rst ixpk= 0, nxpk= 0, iat=5786,5802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP H1' 400 ATP H4' 5.000 &rst ixpk= 0, nxpk= 0, iat=5786,5783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP H2' 400 ATP H3' 4.000 &rst ixpk= 0, nxpk= 0, iat=5806,5802, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 400 ATP H2' 400 ATP H4' 5.000 &rst ixpk= 0, nxpk= 0, iat=5806,5783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP H3' 400 ATP H4' 3.000 &rst ixpk= 0, nxpk= 0, iat=5802,5783, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 400 ATP O3' 410 DGT PA 3.900 &rst ixpk= 0, nxpk= 0, iat=5803,5818, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, / # # 400 ATP H2 3 DG H1' 5.000 &rst ixpk= 0, nxpk= 0, iat=5798, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 400 ATP H2 410 DGT H1 5.500 &rst ixpk= 0, nxpk= 0, iat=5798,5838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 400 ATP H8 410 DGT H8 5.200 &rst ixpk= 0, nxpk= 0, iat=5789,5832, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, / # # 400 ATP H2 410 DGT H21 5.500 &rst ixpk= 0, nxpk= 0, iat=5798,5841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 400 ATP O2' 410 DGT O5' 3.000 &rst ixpk= 0, nxpk= 0, iat=5807,5821, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 400 ATP O2' 410 DGT O4' 5.000 &rst ixpk= 0, nxpk= 0, iat=5807,5827, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H3 410 DGT H1 5.000 &rst ixpk= 0, nxpk= 0, iat= 84,5838, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H1' 410 DGT H8 4.000 &rst ixpk= 0, nxpk= 0, iat=5829,5832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 410 DGT H2' 410 DGT H8 5.000 &rst ixpk= 0, nxpk= 0, iat=5850,5832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H2'' 410 DGT H8 5.000 &rst ixpk= 0, nxpk= 0, iat=5851,5832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H3' 410 DGT H8 5.000 &rst ixpk= 0, nxpk= 0, iat=5848,5832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H5' 410 DGT H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5823,5832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 410 DGT H5'' 410 DGT H8 5.500 &rst ixpk= 0, nxpk= 0, iat=5824,5832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 410 DGT H1' 410 DGT H2' 5.000 &rst ixpk= 0, nxpk= 0, iat=5829,5850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H1' 410 DGT H2'' 4.000 &rst ixpk= 0, nxpk= 0, iat=5829,5851, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 410 DGT H1' 410 DGT H3' 5.000 &rst ixpk= 0, nxpk= 0, iat=5829,5848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H1' 410 DGT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat=5829,5826, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H2' 410 DGT H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat=5850,5851, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 410 DGT H2' 410 DGT H3' 4.000 &rst ixpk= 0, nxpk= 0, iat=5850,5848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 410 DGT H2' 410 DGT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat=5850,5826, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H2'' 410 DGT H3' 5.000 &rst ixpk= 0, nxpk= 0, iat=5851,5848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H2'' 410 DGT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat=5851,5826, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 410 DGT H3' 410 DGT H4' 3.000 &rst ixpk= 0, nxpk= 0, iat=5848,5826, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H1' 1 DC H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 42, 45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H2'' 1 DC H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 59, 45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H2' 1 DC H6 3.000 &rst ixpk= 0, nxpk= 0, iat= 58, 45, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H3' 1 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 56, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H4' 1 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 39, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H5 1 DC H6 3.000 &rst ixpk= 0, nxpk= 0, iat= 47, 45, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H5'' 1 DC H6 5.500 &rst ixpk= 0, nxpk= 0, iat= 37, 45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 1 DC H1' 1 DC H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 42, 58, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H1' 1 DC H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 42, 59, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H1' 1 DC H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 42, 56, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H1' 1 DC H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 42, 39, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H1' 1 DC H5 5.500 &rst ixpk= 0, nxpk= 0, iat= 42, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 1 DC H1' 1 DC H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 42, 37, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H1' 1 DC H5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 42, 36, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H2'' 1 DC H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 59, 56, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H2'' 1 DC H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 59, 39, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H2'' 1 DC H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 59, 37, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H2' 1 DC H3' 5.000 &rst ixpk= 0, nxpk= 0, iat= 58, 56, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H2' 1 DC H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 58, 39, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H3' 1 DC H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= 56, 39, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H3' 1 DC H5'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 56, 37, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H3' 1 DC H5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 56, 36, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H4' 1 DC H5' 3.000 &rst ixpk= 0, nxpk= 0, iat= 39, 36, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H1' 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 42, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H2'' 2 DT H6 3.000 &rst ixpk= 0, nxpk= 0, iat= 59, 75, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 1 DC H2' 2 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 58, 75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 1 DC H3' 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 56, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H6 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 45, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H1' 2 DT M7 5.500 &rst ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 78, 79, 80, / # # 1 DC H2' 2 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 78, 79, 80, / # # 1 DC H2'' 2 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 78, 79, 80, / # # 1 DC H6 2 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 78, 79, 80, / # # 1 DC H2'' 2 DT H5' 6.000 &rst ixpk= 0, nxpk= 0, iat= 59, 66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 1 DC H2'' 2 DT H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 59, 67, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H3' 2 DT H5' 6.000 &rst ixpk= 0, nxpk= 0, iat= 56, 66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 1 DC H3' 2 DT H5'' 6.000 &rst ixpk= 0, nxpk= 0, iat= 56, 67, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 1 DC H41 2 DT H3 5.000 &rst ixpk= 0, nxpk= 0, iat= 50, 84, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 1 DC H42 2 DT H3 6.000 &rst ixpk= 0, nxpk= 0, iat= 51, 84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 2 DT H1' 2 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 72, 75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H2'' 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 91, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H2' 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 90, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H3' 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 88, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H4' 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 69, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H5'' 2 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 67, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H5' 2 DT H6 5.500 &rst ixpk= 0, nxpk= 0, iat= 66, 75, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 2 DT H6 2 DT M7 3.000 &rst ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 78, 79, 80, / # # 2 DT H1' 2 DT H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 72, 91, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 2 DT H1' 2 DT H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 72, 90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H1' 2 DT H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 72, 88, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H1' 2 DT H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 72, 69, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H1' 2 DT H5'' 5.500 &rst ixpk= 0, nxpk= 0, iat= 72, 67, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 2 DT H1' 2 DT H5' 5.500 &rst ixpk= 0, nxpk= 0, iat= 72, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 2 DT H2'' 2 DT H3' 3.000 &rst ixpk= 0, nxpk= 0, iat= 91, 88, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 2 DT H2'' 2 DT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 91, 69, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H2' 2 DT H3' 3.000 &rst ixpk= 0, nxpk= 0, iat= 90, 88, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 2 DT H2' 2 DT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 90, 69, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H3' 2 DT H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= 88, 69, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 2 DT H3' 2 DT H5'' 4.000 &rst ixpk= 0, nxpk= 0, iat= 88, 67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H3' 2 DT H5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 88, 66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H4' 2 DT H5'' 4.000 &rst ixpk= 0, nxpk= 0, iat= 69, 67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H4' 2 DT H5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 69, 66, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H1' 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 72, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H2' 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 90, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H2'' 3 DG H8 4.000 &rst ixpk= 0, nxpk= 0, iat= 91, 107, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 2 DT H3' 3 DG H8 5.500 &rst ixpk= 0, nxpk= 0, iat= 88, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 2 DT M7 3 DG H8 6.000 &rst ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr1= 78, 79, 80, / # # 2 DT H6 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 75, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H2'' 3 DG H5' 6.000 &rst ixpk= 0, nxpk= 0, iat= 91, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 2 DT H2'' 3 DG H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 91, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 2 DT H3' 3 DG H5' 6.000 &rst ixpk= 0, nxpk= 0, iat= 88, 98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 2 DT H3' 3 DG H5'' 6.000 &rst ixpk= 0, nxpk= 0, iat= 88, 99, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 2 DT H3 3 DG H1 5.000 &rst ixpk= 0, nxpk= 0, iat= 84, 113, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H1' 3 DG H8 4.000 &rst ixpk= 0, nxpk= 0, iat= 104, 107, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H2'' 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 124, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H2' 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 123, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H3' 3 DG H8 5.500 &rst ixpk= 0, nxpk= 0, iat= 121, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 3 DG H4' 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 101, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H5'' 3 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 99, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H1' 3 DG H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 104, 124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 3 DG H1' 3 DG H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 104, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H1' 3 DG H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H1' 3 DG H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 104, 101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H1' 3 DG H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 104, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H1' 3 DG H5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 104, 98, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H2'' 3 DG H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 124, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H2'' 3 DG H3' 5.000 &rst ixpk= 0, nxpk= 0, iat= 124, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H2'' 3 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 124, 101, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H2' 3 DG H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H2' 3 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 123, 101, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H3' 3 DG H5'' 4.000 &rst ixpk= 0, nxpk= 0, iat= 121, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H4' 3 DG H5'' 4.000 &rst ixpk= 0, nxpk= 0, iat= 101, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H5'' 3 DG H5' 3.000 &rst ixpk= 0, nxpk= 0, iat= 99, 98, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 3 DG H22 3 DG H1 4.000 &rst ixpk= 0, nxpk= 0, iat= 117, 113, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H21 3 DG H1 3.000 &rst ixpk= 0, nxpk= 0, iat= 116, 113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 3 DG H1' 4 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 104, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H1' 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 3 DG H2'' 4 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 124, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H2'' 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 3 DG H2' 4 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 123, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H2' 4 DT M7 4.000 &rst ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 143, 144, 145, / # # 3 DG H3' 4 DT H6 5.500 &rst ixpk= 0, nxpk= 0, iat= 121, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 3 DG H3' 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 3 DG H4' 4 DT M7 5.500 &rst ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 143, 144, 145, / # # 3 DG H8 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 3 DG H1 4 DT H3 5.000 &rst ixpk= 0, nxpk= 0, iat= 113, 149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 3 DG H1 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 3 DG H21 4 DT H3 4.000 &rst ixpk= 0, nxpk= 0, iat= 116, 149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 3 DG H22 4 DT H3 5.000 &rst ixpk= 0, nxpk= 0, iat= 117, 149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H1' 4 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 137, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H2'' 4 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 156, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H2' 4 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 155, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H3' 4 DT H6 4.500 &rst ixpk= 0, nxpk= 0, iat= 153, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 4 DT H4' 4 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 134, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H5' 4 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 131, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H6 4 DT M7 3.000 &rst ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 143, 144, 145, / # # 4 DT H1' 4 DT H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 137, 156, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 4 DT H1' 4 DT H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 137, 155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H1' 4 DT H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 137, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H1' 4 DT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 137, 134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H1' 4 DT H5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 137, 131, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H1' 4 DT H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 137, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H1' 4 DT M7 5.500 &rst ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 143, 144, 145, / # # 4 DT H2'' 4 DT H2' 5.000 &rst ixpk= 0, nxpk= 0, iat= 156, 155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H2'' 4 DT H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 156, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H2'' 4 DT H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 156, 134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H2'' 4 DT H5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 156, 131, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H2'' 4 DT H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 156, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H2' 4 DT H3' 5.000 &rst ixpk= 0, nxpk= 0, iat= 155, 153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H2' 4 DT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 155, 134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H3' 4 DT H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= 153, 134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 4 DT H3' 4 DT H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 153, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H3' 4 DT H5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 153, 131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H4' 4 DT H5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 134, 131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 4 DT H3 4 DT H1' 5.000 &rst ixpk= 0, nxpk= 0, iat= 149, 137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H3 4 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 149, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H3 4 DT M7 5.000 &rst ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 143, 144, 145, / # # 4 DT H1' 5 DG H5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 137, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H1' 5 DG H8 5.500 &rst ixpk= 0, nxpk= 0, iat= 137, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 4 DT H3' 5 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 4 DT H6 5 DG H1 6.000 &rst ixpk= 0, nxpk= 0, iat= 140, 178, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 4 DT M7 5 DG H1 4.000 &rst ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 143, 144, 145, / # # 5 DG H1' 5 DG H2'' 4.000 &rst ixpk= 0, nxpk= 0, iat= 169, 189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 5 DG H1' 5 DG H2' 5.000 &rst ixpk= 0, nxpk= 0, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H1' 5 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 169, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H1' 5 DG H8 4.000 &rst ixpk= 0, nxpk= 0, iat= 169, 172, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 5 DG H2'' 5 DG H3' 5.000 &rst ixpk= 0, nxpk= 0, iat= 189, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H2'' 5 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 189, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H2'' 5 DG H8 4.000 &rst ixpk= 0, nxpk= 0, iat= 189, 172, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 5 DG H2' 5 DG H3' 5.000 &rst ixpk= 0, nxpk= 0, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H2' 5 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 188, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H2' 5 DG H8 4.000 &rst ixpk= 0, nxpk= 0, iat= 188, 172, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 5 DG H3' 5 DG H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 186, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H3' 5 DG H5'' 5.000 &rst ixpk= 0, nxpk= 0, iat= 186, 164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H3' 5 DG H8 4.500 &rst ixpk= 0, nxpk= 0, iat= 186, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 5 DG H4' 5 DG H5'' 4.000 &rst ixpk= 0, nxpk= 0, iat= 166, 164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 5 DG H4' 5 DG H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 166, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H5'' 5 DG H5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 164, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 5 DG H1 5 DG H21 3.000 &rst ixpk= 0, nxpk= 0, iat= 178, 181, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 5 DG H1 5 DG H22 5.000 &rst ixpk= 0, nxpk= 0, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H21 5 DG H22 3.000 &rst ixpk= 0, nxpk= 0, iat= 181, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 5 DG H2'' 6 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= 189, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H2' 6 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= 188, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H3' 6 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= 186, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H3' 6 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 186, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 5 DG H8 6 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= 172, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 6 DC H1' 6 DC H2'' 4.000 &rst ixpk= 0, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 6 DC H1' 6 DC H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 202, 216, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 6 DC H1' 6 DC H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 202, 199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 6 DC H1' 6 DC H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 202, 205, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 6 DC H2'' 6 DC H2' 3.000 &rst ixpk= 0, nxpk= 0, iat= 219, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 6 DC H2'' 6 DC H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 219, 199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 6 DC H2'' 6 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 219, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 6 DC H2'' 6 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 196, 197, / # # 6 DC H2' 6 DC H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 218, 216, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 6 DC H2' 6 DC H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 218, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 6 DC H2' 6 DC H5 6.000 &rst ixpk= 0, nxpk= 0, iat= 218, 207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 6 DC H2' 6 DC H6 4.500 &rst ixpk= 0, nxpk= 0, iat= 218, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 6 DC H2' 6 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 196, 197, / # # 6 DC H3' 6 DC H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= 216, 199, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 6 DC H3' 6 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 216, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 6 DC H4' 6 DC H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 199, 205, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 6 DC H5 6 DC H6 3.000 &rst ixpk= 0, nxpk= 0, iat= 207, 205, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 6 DC H5 6 DC Q5' 5.500 &rst ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 196, 197, / # # 6 DC H6 6 DC Q5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 196, 197, / # # 6 DC Q5' 6 DC H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1= 196, 197, / # # 6 DC H3' 7 DT H6 5.500 &rst ixpk= 0, nxpk= 0, iat= 216, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 6 DC H4' 7 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 199, 235, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 6 DC H6 7 DT M7 5.500 &rst ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 238, 239, 240, / # # 7 DT M7 6 DC H1' 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 238, 239, 240, / # # 7 DT M7 6 DC H2'' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 238, 239, 240, / # # 7 DT M7 6 DC H2' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 238, 239, 240, / # # 7 DT M7 6 DC H3' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 238, 239, 240, / # # 7 DT M7 6 DC H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 238, 239, 240, / # # 7 DT M7 6 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 238, 239, 240, igr2= 196, 197, / # # 7 DT H1' 7 DT H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 232, 251, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 7 DT H1' 7 DT H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 232, 250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 7 DT H1' 7 DT H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 232, 248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 7 DT H1' 7 DT H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 232, 229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 7 DT H1' 7 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 232, 235, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 7 DT H2'' 7 DT H2' 3.000 &rst ixpk= 0, nxpk= 0, iat= 251, 250, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 7 DT H2'' 7 DT H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 251, 248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 7 DT H2'' 7 DT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 251, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H2'' 7 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 251, 235, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H2' 7 DT H3' 3.000 &rst ixpk= 0, nxpk= 0, iat= 250, 248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 7 DT H2' 7 DT H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 250, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H2' 7 DT H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 250, 235, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 7 DT H2' 7 DT Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 226, 227, / # # 7 DT H3' 7 DT H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= 248, 229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 7 DT H3' 7 DT H6 4.500 &rst ixpk= 0, nxpk= 0, iat= 248, 235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 7 DT H3' 7 DT Q5' 3.000 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 226, 227, / # # 7 DT H4' 7 DT H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 229, 235, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H4' 7 DT Q5' 3.000 &rst ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 226, 227, / # # 7 DT H6 7 DT Q5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 226, 227, / # # 7 DT H6 7 DT M7 3.000 &rst ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 238, 239, 240, / # # 7 DT Q5' 7 DT H1' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 226, 227, / # # 7 DT Q5' 7 DT H2'' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 226, 227, / # # 7 DT Q5' 7 DT H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr1= 226, 227, / # # 7 DT M7 7 DT H1' 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 238, 239, 240, / # # 7 DT H1' 8 DC Q5' 5.500 &rst ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 258, 259, / # # 7 DT H2'' 8 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 258, 259, / # # 7 DT H2' 8 DC Q5' 5.500 &rst ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 258, 259, / # # 7 DT H3' 8 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= 248, 269, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H3' 8 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 248, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H3' 8 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 258, 259, / # # 7 DT H4' 8 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= 229, 269, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H4' 8 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 229, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 7 DT H4' 8 DC Q5' 4.500 &rst ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 258, 259, / # # 7 DT H6 8 DC H5 6.000 &rst ixpk= 0, nxpk= 0, iat= 235, 269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 7 DT H1' 9 DA H8 6.000 &rst ixpk= 0, nxpk= 0, iat= 232, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 7 DT H4' 9 DA H8 5.500 &rst ixpk= 0, nxpk= 0, iat= 229, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 7 DT M7 9 DA H2 5.500 &rst ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 238, 239, 240, / # # 8 DC H1' 8 DC H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 264, 281, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 8 DC H1' 8 DC H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 264, 280, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 8 DC H1' 8 DC H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 264, 278, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 8 DC H1' 8 DC H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 264, 261, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 8 DC H1' 8 DC H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 264, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 8 DC H1' 8 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 258, 259, / # # 8 DC H2'' 8 DC H2' 3.000 &rst ixpk= 0, nxpk= 0, iat= 281, 280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 8 DC H2'' 8 DC H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 281, 278, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 8 DC H2'' 8 DC H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 281, 261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 8 DC H2'' 8 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 281, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 8 DC H2'' 8 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 258, 259, / # # 8 DC H2' 8 DC H3' 3.000 &rst ixpk= 0, nxpk= 0, iat= 280, 278, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 8 DC H2' 8 DC H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 280, 261, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 8 DC H2' 8 DC H5 5.500 &rst ixpk= 0, nxpk= 0, iat= 280, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, / # # 8 DC H2' 8 DC H6 4.000 &rst ixpk= 0, nxpk= 0, iat= 280, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 8 DC H2' 8 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 258, 259, / # # 8 DC H3' 8 DC H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= 278, 261, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 8 DC H3' 8 DC H6 5.000 &rst ixpk= 0, nxpk= 0, iat= 278, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 8 DC H3' 8 DC Q5' 4.000 &rst ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 258, 259, / # # 8 DC H4' 8 DC Q5' 3.000 &rst ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 258, 259, / # # 8 DC H5 8 DC H6 3.000 &rst ixpk= 0, nxpk= 0, iat= 269, 267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 8 DC H6 8 DC Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 258, 259, / # # 8 DC Q5' 8 DC H5 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 258, 259, / # # 8 DC H1' 9 DA Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 288, 289, / # # 8 DC H2'' 9 DA H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 281, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 8 DC H2'' 9 DA Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 288, 289, / # # 8 DC H2' 9 DA Q5' 5.500 &rst ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 288, 289, / # # 8 DC H6 9 DA H8 6.000 &rst ixpk= 0, nxpk= 0, iat= 267, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, / # # 9 DA H1' 9 DA H2 5.000 &rst ixpk= 0, nxpk= 0, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 9 DA H1' 9 DA H2'' 3.000 &rst ixpk= 0, nxpk= 0, iat= 294, 313, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 9 DA H1' 9 DA H2' 4.000 &rst ixpk= 0, nxpk= 0, iat= 294, 312, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 9 DA H1' 9 DA H3' 5.000 &rst ixpk= 0, nxpk= 0, iat= 294, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 9 DA H1' 9 DA H4' 4.000 &rst ixpk= 0, nxpk= 0, iat= 294, 291, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 9 DA H1' 9 DA H8 4.000 &rst ixpk= 0, nxpk= 0, iat= 294, 297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 9 DA H2'' 9 DA H2' 3.000 &rst ixpk= 0, nxpk= 0, iat= 313, 312, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 9 DA H2'' 9 DA H3' 4.000 &rst ixpk= 0, nxpk= 0, iat= 313, 310, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 9 DA H2'' 9 DA H4' 4.500 &rst ixpk= 0, nxpk= 0, iat= 313, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, / # # 9 DA H2'' 9 DA H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 313, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 9 DA H2' 9 DA H3' 3.000 &rst ixpk= 0, nxpk= 0, iat= 312, 310, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 9 DA H2' 9 DA H4' 5.000 &rst ixpk= 0, nxpk= 0, iat= 312, 291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 9 DA H2' 9 DA H8 4.000 &rst ixpk= 0, nxpk= 0, iat= 312, 297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, / # # 9 DA H2' 9 DA Q5' 5.000 &rst ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 288, 289, / # # 9 DA H3' 9 DA H4' 3.000 &rst ixpk= 0, nxpk= 0, iat= 310, 291, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, / # # 9 DA H3' 9 DA H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 310, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 9 DA H3' 9 DA Q5' 3.000 &rst ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 288, 289, / # # 9 DA H4' 9 DA H8 5.000 &rst ixpk= 0, nxpk= 0, iat= 291, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, / # # 9 DA H4' 9 DA Q5' 3.000 &rst ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, igr2= 288, 289, / # # 9 DA Q5' 9 DA H1' 5.000 &rst ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 288, 289, / # ---------------------------------------------------------- # Converting hbonds.dist to Amber lower bounds # ---------------------------------------------------------- # # 1 DC C6 410 DGT C4 8.300 10.300 &rst ixpk= 0, nxpk= 0, iat= 44,5844, r1= 7.80, r2= 8.30, r3=10.30, r4=10.80, rk2=20, rk3=20, ir6=1, ialtd=0, / # # 1 DC H6 410 DGT N9 10.750 12.750 &rst ixpk= 0, nxpk= 0, iat= 45,5830, r1=10.25, r2=10.75, r3=12.75, r4=13.25, / # # 2 DT C6 400 ATP C4 8.300 10.300 &rst ixpk= 0, nxpk= 0, iat= 74,5800, r1= 7.80, r2= 8.30, r3=10.30, r4=10.80, / # # 2 DT H3 400 ATP N1 1.800 1.890 &rst ixpk= 0, nxpk= 0, iat= 84,5796, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, / # # 2 DT H6 400 ATP N9 10.750 12.750 &rst ixpk= 0, nxpk= 0, iat= 75,5787, r1=10.25, r2=10.75, r3=12.75, r4=13.25, / # # 2 DT N3 400 ATP N1 2.900 3.000 &rst ixpk= 0, nxpk= 0, iat= 83,5796, r1= 2.40, r2= 2.90, r3= 3.00, r4= 3.50, / # # 2 DT O4 400 ATP H61 1.800 1.890 &rst ixpk= 0, nxpk= 0, iat= 82,5794, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, / # # 2 DT O4 400 ATP N6 2.900 3.000 &rst ixpk= 0, nxpk= 0, iat= 82,5793, r1= 2.40, r2= 2.90, r3= 3.00, r4= 3.50, / # # 4 DT O4 340 LYS HZ2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 147,5244, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 4 DT O4 340 LYS NZ 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr2=5243,5244,5245, / # # 5 DG H1 356 THR OG1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 178,5523, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 5 DG N1 356 THR OG1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 177,5523, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 6 DC OP1 286 HIST HE2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 192,4822, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 6 DC OP1 286 HIST NE2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 192,4821, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 41 SER O 45 ARG H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 339, 399, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 41 SER O 45 ARG N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 339, 398, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 42 GLU O 46 TYR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 354, 423, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 42 GLU O 46 TYR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 354, 422, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 43 ARG O 47 ALA H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 378, 444, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 43 ARG O 47 ALA N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 378, 443, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 44 ILE O 48 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 397, 454, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 44 ILE O 48 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 397, 453, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 45 ARG O 49 TRP H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 421, 476, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 45 ARG O 49 TRP N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 421, 475, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 46 TYR O 50 PHE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 442, 500, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 46 TYR O 50 PHE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 442, 499, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 47 ALA O 51 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 452, 520, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 47 ALA O 51 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 452, 519, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 48 LYS O 52 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 474, 539, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 48 LYS O 52 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 474, 538, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 58 ILE H 99 ALA O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 631,1337, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 58 ILE N 99 ALA O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 630,1337, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 58 ILE O 99 ALA H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 648,1329, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 58 ILE O 99 ALA N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 648,1328, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 59 PRO O 68 VAL H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 662, 793, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 59 PRO O 68 VAL N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 662, 792, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 60 ILE H 97 ASN O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 664,1306, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 60 ILE N 97 ASN O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 663,1306, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 61 ASP H 66 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 683, 777, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 61 ASP N 66 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 682, 777, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 61 ASP O 65 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 693, 735, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 61 ASP O 65 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 693, 734, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 64 SER HG 1 DC O4' 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 731, 40, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 64 SER OG 1 DC O4' 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 731, 40, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 65 LYS HZ3 410 DGT O1B 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 753,5815, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 65 LYS NZ 410 DGT O1B 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1,5815, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1= 751, 752, 753, / # # 65 LYS HZ2 410 DGT O3A 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 752,5817, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 65 LYS NZ 410 DGT O3A 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1,5817, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1= 751, 752, 753, / # # 66 LYS HZ2 1 DC OP1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 774, 32, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 66 LYS NZ 1 DC OP1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1= 773, 774, 775, / # # 70 LYS HZ3 2 DT OP1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 846, 62, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 70 LYS NZ 2 DT OP1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1= 844, 845, 846, / # # 71 GLU O 74 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 863, 906, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 71 GLU O 74 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 863, 905, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 72 TRP HE1 2 DT O3' 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 875, 92, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 72 TRP NE1 2 DT O3' 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 874, 92, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 72 TRP O 75 TYR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 887, 928, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 72 TRP O 75 TYR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= 887, 927, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 73 GLN HE22 3 DG OP1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat= 902, 94, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 73 GLN NE2 3 DG OP1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.90, r2= 2.40, r3= 3.82, r4= 4.32, igr1= 901, 902, / # # 81 SER O 85 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1032,1076, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 81 SER O 85 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1032,1075, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 82 ASP O 86 GLN H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1044,1098, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 82 ASP O 86 GLN N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1044,1097, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 83 GLU O 87 ARG H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1059,1115, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 83 GLU O 87 ARG N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1059,1114, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 84 GLU O 88 PHE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1074,1139, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 84 GLU O 88 PHE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1074,1138, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 85 LYS O 89 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1096,1159, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 85 LYS O 89 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1096,1158, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 86 GLN O 90 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1113,1178, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 86 GLN O 90 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1113,1177, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 87 ARG O 91 MET H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1137,1200, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 87 ARG O 91 MET N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1137,1199, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 88 PHE O 92 ILE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1157,1217, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 88 PHE O 92 ILE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1157,1216, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 89 LEU O 93 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1176,1236, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 89 LEU O 93 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1176,1235, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 90 LYS O 94 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1198,1251, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 90 LYS O 94 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1198,1250, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 91 MET O 95 GLY H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1215,1266, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 91 MET O 95 GLY N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1215,1265, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 98 TYR O 181 GLY H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1327,2614, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 98 TYR O 181 GLY N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1327,2613, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 100 ILE H 179 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1339,2593, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 100 ILE N 179 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1338,2593, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 100 ILE O 179 VAL H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1356,2579, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 100 ILE O 179 VAL N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1356,2578, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 102 GLY H 177 SER O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1372,2556, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 102 GLY N 177 SER O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1371,2556, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 103 GLY H 107 LEU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1379,1449, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 103 GLY N 107 LEU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1378,1449, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 103 GLY O 106 GLY H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1384,1425, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 103 GLY O 106 GLY N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1384,1424, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 104 GLN O 107 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1401,1432, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 104 GLN O 107 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1401,1431, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 106 GLY O 150 SER H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1430,2126, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 106 GLY O 150 SER N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1430,2125, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 108 VAL H 148 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1451,2105, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 108 VAL N 148 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1450,2105, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 108 VAL O 148 VAL H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1465,2091, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 108 VAL O 148 VAL N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1465,2090, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 109 ILE H 173 GLN O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1467,2499, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 109 ILE N 173 GLN O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1466,2499, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 109 ILE O 173 GLN H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1484,2484, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 109 ILE O 173 GLN N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1484,2483, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 110 LEU H 146 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1486,2068, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 110 LEU N 146 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1485,2068, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 110 LEU O 146 ILE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1503,2051, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 110 LEU O 146 ILE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1503,2050, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 111 ASP H 171 ASP O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1505,2463, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 111 ASP N 171 ASP O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1504,2463, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 111 ASP O 171 ASP H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1515,2453, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 111 ASP O 171 ASP N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1515,2452, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 111 ASP OD1 420 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1512,5852, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 111 ASP OD2 440 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1513,5854, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 112 PHE H 144 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1517,2032, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 112 PHE N 144 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1516,2032, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 112 PHE O 144 ILE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1535,2015, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 112 PHE O 144 ILE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1535,2014, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 113 GLU H 169 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1537,2432, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 113 GLU N 169 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1536,2432, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 113 GLU OE1 420 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1547,5852, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 113 GLU OE2 440 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1548,5854, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 114 SER O 118 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1561,1622, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 114 SER O 118 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1561,1621, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 115 LYS O 119 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1583,1641, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 115 LYS O 119 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1583,1640, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 116 GLU O 120 ALA H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1598,1663, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 116 GLU O 120 ALA N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1598,1662, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 117 LYS O 121 TRP H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1620,1673, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 117 LYS O 121 TRP N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1620,1672, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 118 LEU O 122 ILE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1639,1697, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 118 LEU O 122 ILE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1639,1696, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 119 LYS O 123 GLY H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1661,1716, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 119 LYS O 123 GLY N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1661,1715, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 123 GLY O 127 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1721,1759, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 123 GLY O 127 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1721,1758, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 124 GLU O 128 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1736,1778, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 124 GLU O 128 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1736,1777, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 125 SER O 129 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1747,1793, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 125 SER O 129 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1747,1792, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 126 ALA O 130 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1757,1808, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 126 ALA O 130 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1757,1807, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 127 LEU O 102 CYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1776,1827, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 127 LEU O 102 CYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1776,1826, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 128 GLU O 132 ARG H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1791,1837, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 128 GLU O 132 ARG N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1791,1836, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 129 GLU O 133 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1806,1861, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 129 GLU O 133 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1806,1860, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 130 LEU O 134 THR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1825,1883, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 130 LEU O 134 THR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1825,1882, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 135 LEU O 147 TYR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1914,2070, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 135 LEU O 147 TYR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1914,2069, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 107 CYS O 210 TYR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1924,3052, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 107 CYS O 210 TYR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1924,3051, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 137 THR H 116 HIST O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1926,2049, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 137 THR N 116 HIST O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1925,2049, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 137 THR O 116 HIST H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1938,2034, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 137 THR O 116 HIST N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1938,2033, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 138 ASN H 208 THR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1940,3031, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 138 ASN N 208 THR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1939,3031, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 138 ASN O 208 THR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1952,3019, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 138 ASN O 208 THR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1952,3018, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 139 THR HG1 410 DGT O2G 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1964,5811, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 139 THR OG1 410 DGT O2G 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1963,5811, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 112 HIS HD1 410 DGT O3B 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1992,5813, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 112 HIS ND1 410 DGT O3B 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=1991,5813, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 112 HIS NE2 450 ZN ZN 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=1995,5855, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 116 HIST HE2 410 DGT O2B 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2045,5816, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 116 HIST NE2 410 DGT O2B 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2044,5816, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 149 LEU H 217 SER O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2107,3186, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 149 LEU H 217 SER O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2107,3186, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 149 LEU N 217 SER O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2106,3186, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 149 LEU N 217 SER O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2106,3186, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 149 LEU O 219 VAL H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2124,3210, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 149 LEU O 219 VAL H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2124,3210, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 149 LEU O 219 VAL N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2124,3209, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 149 LEU O 219 VAL N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2124,3209, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 127 HIST HE2 4 DT OP2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2221, 128, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 127 HIST NE2 4 DT OP2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2220, 128, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 157 LYS H 175 TYR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2227,2531, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 157 LYS HZ2 4 DT OP1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2244, 127, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 157 LYS HZ3 3 DG O3' 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2245, 125, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 157 LYS N 175 TYR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2226,2531, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 157 LYS NZ 3 DG O3' 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1=2243,2244,2245, / # # 157 LYS NZ 4 DT OP1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 127, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1=2243,2244,2245, / # # 158 ILE H 172 LEU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2249,2482, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 158 ILE N 172 LEU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2248,2482, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 158 ILE O 172 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2266,2465, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 158 ILE O 172 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2266,2464, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 161 LEU H 170 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2296,2451, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 161 LEU N 170 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2295,2451, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 161 LEU O 240 SER H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2313,3569, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 161 LEU O 240 SER N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2313,3568, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 162 PHE O 169 ILE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2333,2415, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 162 PHE O 169 ILE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2333,2414, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 163 GLU H 238 THR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2335,3548, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 163 GLU N 238 THR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2334,3548, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 163 GLU O 238 THR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2348,3536, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 163 GLU O 238 THR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2348,3535, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 164 GLU H 167 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2350,2406, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 164 GLU N 167 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2349,2406, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 164 GLU O 167 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2363,2386, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 164 GLU O 167 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2363,2385, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 171 ASP OD1 400 ATP HO2' 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2460,5808, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 171 ASP OD2 440 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2461,5854, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 173 GLN HE22 178 TYR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2497,2577, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 173 GLN NE2 178 TYR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1,2577, r1= 1.90, r2= 2.40, r3= 3.82, r4= 4.32, igr1=2496,2497, / # # 173 GLN HE21 410 DGT O4' 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2496,5827, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 173 GLN NE2 410 DGT O4' 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1,5827, r1= 1.90, r2= 2.40, r3= 3.82, r4= 4.32, igr1=2496,2497, / # # 174 SER O 177 SER H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2510,2547, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 174 SER O 177 SER N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2510,2546, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 176 ASN HD21 3 DG OP1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2542, 94, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 176 ASN ND2 3 DG OP1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.90, r2= 2.40, r3= 3.82, r4= 4.32, igr1=2542,2543, / # # 178 TYR HH 2 DT O4' 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2571, 70, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 178 TYR OH 2 DT O4' 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2570, 70, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 180 LEU H 410 DGT O3' 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2595,5846, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 180 LEU N 410 DGT O3' 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2594,5846, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 181 GLY O 184 SER H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2619,2647, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 181 GLY O 184 SER N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2619,2646, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 183 GLY H 207 TYR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2640,3017, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 183 GLY N 207 TYR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2639,3017, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 184 SER O 207 TYR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2656,2998, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 184 SER O 207 TYR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2656,2997, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 186 VAL H 205 THR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2668,2986, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 186 VAL N 205 THR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2667,2986, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 186 VAL O 205 THR H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2682,2974, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 186 VAL O 205 THR N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2682,2973, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 187 ASN O 161 HIS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2696,2734, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 187 ASN O 161 HIS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2696,2733, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 159 HIST H 203 TYR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2698,2958, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 159 HIST N 203 TYR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2697,2958, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 159 HIST ND1 450 ZN ZN 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2705,5855, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 159 HIST O 162 CYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2713,2751, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 159 HIST O 162 CYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2713,2750, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 162 CYS SG 450 ZN ZN 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2757,5855, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 193 THR O 167 CYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2787,2823, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 193 THR O 167 CYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2787,2822, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 167 CYS SG 450 ZN ZN 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2829,5855, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 198 TRP O 201 GLN H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=2869,2908, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 198 TRP O 201 GLN N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=2869,2907, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 220 ASP O 224 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3236,3290, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 220 ASP O 224 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3236,3289, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 221 LEU O 225 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3255,3309, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 221 LEU O 225 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3255,3308, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 222 LYS O 226 ARG H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3277,3328, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 222 LYS O 226 ARG N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3277,3327, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 223 SER O 227 PHE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3288,3352, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 223 SER O 227 PHE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3288,3351, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 224 LEU O 228 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3307,3372, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 224 LEU O 228 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3307,3371, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 225 LEU O 229 ALA H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3326,3391, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 225 LEU O 229 ALA N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3326,3390, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 226 ARG O 230 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3350,3401, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 226 ARG O 230 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3350,3400, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 227 PHE O 231 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3370,3416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 227 PHE O 231 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3370,3415, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 228 LEU O 232 GLY H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3389,3438, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 228 LEU O 232 GLY N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3389,3437, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 229 ALA O 233 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3399,3445, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 229 ALA O 233 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3399,3444, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 232 GLY O 237 ILE H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3443,3517, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 232 GLY O 237 ILE N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3443,3516, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 233 LYS O 236 GLY H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3465,3510, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 233 LYS O 236 GLY N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3465,3509, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 240 SER O 244 LYS H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3578,3626, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 240 SER O 244 LYS N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3578,3625, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 241 LYS H 6 DC OP2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3580, 193, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 241 LYS HZ1 7 DT OP2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3596, 223, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 241 LYS HZ3 7 DT OP1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3598, 222, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 241 LYS N 6 DC OP2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3579, 193, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 241 LYS NZ 7 DT OP1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1=3596,3597,3598, / # # 241 LYS NZ 7 DT OP2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1=3596,3597,3598, / # # 241 LYS O 245 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3600,3648, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 241 LYS O 245 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3600,3647, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 242 THR HG1 5 DG OP1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3612, 159, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 242 THR O 246 TRP H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3614,3663, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 242 THR O 246 TRP N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3614,3662, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 242 THR OG1 5 DG OP1 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3611, 159, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 243 ALA O 247 LEU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3624,3687, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 243 ALA O 247 LEU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3624,3686, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 244 LYS O 248 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3646,3706, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 244 LYS O 248 GLU H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3646,3706, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 244 LYS O 248 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3646,3705, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 244 LYS O 248 GLU N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3646,3705, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 260 PHE H 256 THR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3890,3841, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 260 PHE N 256 THR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3889,3841, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 261 GLU H 257 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3910,3857, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 261 GLU N 257 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3909,3857, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 262 GLU H 258 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3925,3873, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 262 GLU N 258 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3924,3873, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 263 LEU H 259 GLU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3940,3888, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 263 LEU N 259 GLU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3939,3888, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 264 ARG H 260 PHE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3959,3908, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 264 ARG N 260 PHE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3958,3908, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 265 LYS H 261 GLU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=3983,3923, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 265 LYS N 261 GLU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=3982,3923, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 266 GLU H 262 GLU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4005,3938, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 266 GLU N 262 GLU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4004,3938, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 267 LEU H 263 LEU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4020,3957, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 267 LEU N 263 LEU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4019,3957, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 268 VAL H 264 ARG O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4039,3981, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 268 VAL N 264 ARG O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4038,3981, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 269 LYS H 265 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4055,4003, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 269 LYS N 265 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4054,4003, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 270 ARG H 266 GLU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4077,4018, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 270 ARG N 266 GLU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4076,4018, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 280 LYS H 276 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4239,4181, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 280 LYS N 276 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4238,4181, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 282 GLU H 278 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4276,4218, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 282 GLU N 278 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4275,4218, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 283 ILE H 279 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4291,4237, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 283 ILE N 279 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4290,4237, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 255 CYS H 280 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4310,4259, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 255 CYS N 280 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4309,4259, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 285 THR H 281 GLU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4320,4274, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 285 THR N 281 GLU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4319,4274, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 294 GLU H 290 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4477,4415, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 294 GLU N 290 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4476,4415, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 295 ILE H 291 LEU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4492,4434, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 295 ILE N 291 LEU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4491,4434, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 296 ILE H 292 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4511,4453, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 296 ILE N 292 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4510,4453, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 268 CYS H 293 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4530,4475, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 268 CYS N 293 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4529,4475, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 313 ASP H 309 ARG O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4775,4731, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 313 ASP N 309 ARG O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4774,4731, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 314 TRP H 310 SER O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4787,4742, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 314 TRP N 310 SER O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4786,4742, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 286 HIST H 311 ARG O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4811,4766, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 286 HIST N 311 ARG O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4810,4766, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 316 VAL H 312 GLY O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4828,4773, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 316 VAL N 312 GLY O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4827,4773, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 317 ILE H 313 ASP O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4844,4785, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 317 ILE N 313 ASP O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4843,4785, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 318 LEU H 314 TRP O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4863,4809, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 318 LEU N 314 TRP O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4862,4809, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 319 TYR H 286 HIST O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4882,4826, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 319 TYR N 286 HIST O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4881,4826, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 320 LEU H 316 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4903,4842, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 320 LEU N 316 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4902,4842, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 321 MET H 317 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4922,4861, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 321 MET N 317 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4921,4861, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 322 LYS H 318 LEU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4939,4880, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 322 LYS N 318 LEU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4938,4880, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 294 HIS H 319 TYR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=4961,4901, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 294 HIS N 319 TYR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=4960,4901, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 332 LEU H 328 PRO O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5094,5039, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 332 LEU N 328 PRO O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5093,5039, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 333 GLU H 329 ASP O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5113,5051, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 333 GLU N 329 ASP O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5112,5051, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 334 LEU H 330 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5128,5073, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 334 LEU N 330 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5127,5073, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 347 TRP HE1 2 DT OP2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5357, 63, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 347 TRP NE1 2 DT OP2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5356, 63, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 352 TYR H 348 ASN O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5438,5383, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 352 TYR N 348 ASN O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5437,5383, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 353 PHE H 349 THR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5459,5397, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 353 PHE N 349 THR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5458,5397, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 354 VAL H 350 GLN O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5479,5414, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 354 VAL N 350 GLN O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5478,5414, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 355 ILE H 351 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5495,5436, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 355 ILE N 351 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5494,5436, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 356 THR H 352 TYR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5514,5457, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 356 THR N 352 TYR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5513,5457, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 357 LEU H 353 PHE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5528,5477, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 357 LEU N 353 PHE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5527,5477, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 358 SER H 354 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5547,5493, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 358 SER N 354 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5546,5493, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 359 LYS H 355 ILE O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5558,5512, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 359 LYS HZ2 5 DG O6 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5575, 176, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 359 LYS HZ3 5 DG OP2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5576, 160, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 359 LYS N 355 ILE O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5557,5512, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 359 LYS NZ 5 DG O6 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1=5574,5575,5576, / # # 359 LYS NZ 5 DG OP2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr1=5574,5575,5576, / # # 360 ALA H 356 THR O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5580,5526, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 360 ALA N 356 THR O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5579,5526, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 361 TRP H 357 LEU O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5590,5545, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 361 TRP N 357 LEU O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5589,5545, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 362 SER H 358 SER O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5614,5556, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 362 SER N 358 SER O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5613,5556, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 363 VAL H 359 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5625,5578, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 363 VAL N 359 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5624,5578, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 364 VAL H 360 ALA O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5641,5588, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 364 VAL N 360 ALA O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5640,5588, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 365 LYS H 361 TRP O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5657,5612, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 365 LYS N 361 TRP O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5656,5612, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 366 LYS H 362 SER O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5679,5623, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 366 LYS N 362 SER O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5678,5623, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 367 TYR H 363 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5701,5639, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 367 TYR N 363 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5700,5639, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 368 LEU H 364 VAL O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5722,5655, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 368 LEU N 364 VAL O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5721,5655, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 369 GLU H 365 LYS O 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5741,5677, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 369 GLU N 365 LYS O 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5740,5677, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 400 ATP O1A 340 LYS HZ3 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5776,5245, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O1A 340 LYS NZ 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5776, -1, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr2=5243,5244,5245, / # # 400 ATP O1A 3 DG H21 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5776, 116, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O1A 3 DG N2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5776, 115, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 400 ATP O1G 309 ARG HE 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5766,4722, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O1G 309 ARG HH21 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5766,4728, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O1G 309 ARG NE 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5766,4722, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 400 ATP O1G 309 ARG NH2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5766, -1, r1= 1.90, r2= 2.40, r3= 3.82, r4= 4.32, igr2=4728,4729, / # # 400 ATP O1G 340 LYS HZ1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5766,5243, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O1G 340 LYS NZ 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5766, -1, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr2=5243,5244,5245, / # # 400 ATP O2A 4 DT H3 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5777, 149, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O2A 4 DT N3 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5777, 148, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 400 ATP O2B 168 GLY H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5773,2408, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O2B 168 GLY N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5773,2407, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 400 ATP O2G 310 SER H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5768,4733, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O2G 310 SER N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5768,4732, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 400 ATP O3' 440 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5803,5854, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O3B 167 LYS HZ3 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5770,2404, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O3B 167 LYS NZ 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5770, -1, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr2=2402,2403,2404, / # # 400 ATP O3G 167 LYS HZ1 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5769,2402, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O3G 167 LYS NZ 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5769, -1, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr2=2402,2403,2404, / # # 400 ATP O3G 309 ARG H 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5769,4709, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O3G 309 ARG N 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5769,4708, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, / # # 400 ATP O4' 159 ASN HD21 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5784,2277, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 400 ATP O4' 159 ASN ND2 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5784, -1, r1= 1.90, r2= 2.40, r3= 3.82, r4= 4.32, igr2=2277,2278, / # # 400 ATP PG 400 ATP O2A 4.000 4.500 &rst ixpk= 0, nxpk= 0, iat=5767,5777, r1= 3.50, r2= 4.00, r3= 4.50, r4= 5.00, / # # 400 ATP PG 400 ATP O3A 2.900 3.500 &rst ixpk= 0, nxpk= 0, iat=5767,5774, r1= 2.40, r2= 2.90, r3= 3.50, r4= 4.00, / # # 400 ATP PG 400 ATP PA 4.300 4.700 &rst ixpk= 0, nxpk= 0, iat=5767,5775, r1= 3.80, r2= 4.30, r3= 4.70, r4= 5.20, / # # 410 DGT H1 1 DC N3 1.800 1.890 &rst ixpk= 0, nxpk= 0, iat=5838, 52, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, / # # 410 DGT H21 1 DC O2 1.800 1.890 &rst ixpk= 0, nxpk= 0, iat=5841, 54, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, / # # 410 DGT N1 1 DC N3 2.900 3.000 &rst ixpk= 0, nxpk= 0, iat=5837, 52, r1= 2.40, r2= 2.90, r3= 3.00, r4= 3.50, / # # 410 DGT N2 1 DC O2 2.900 3.000 &rst ixpk= 0, nxpk= 0, iat=5840, 54, r1= 2.40, r2= 2.90, r3= 3.00, r4= 3.50, / # # 410 DGT O1A 420 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5819,5852, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 410 DGT O1G 195 LYS HZ3 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5809,2819, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 410 DGT O1G 195 LYS NZ 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5809, -1, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr2=2817,2818,2819, / # # 410 DGT O3G 420 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5812,5852, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 410 DGT O2A 195 LYS HZ2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5820,2818, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 410 DGT O2A 195 LYS NZ 2.400 3.400 &rst ixpk= 0, nxpk= 0, iat=5820, -1, r1= 1.90, r2= 2.40, r3= 4.08, r4= 4.58, igr2=2817,2818,2819, / # # 410 DGT O2B 420 MG MG 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5816,5852, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 410 DGT O6 1 DC H41 1.800 1.890 &rst ixpk= 0, nxpk= 0, iat=5836, 50, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, / # # 410 DGT O6 1 DC N4 2.900 3.000 &rst ixpk= 0, nxpk= 0, iat=5836, 49, r1= 2.40, r2= 2.90, r3= 3.00, r4= 3.50, / # # 430 MG MG 308 ASP OD2 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5853,4705, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 430 MG MG 400 ATP O2A 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5853,5777, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 430 MG MG 400 ATP O2B 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5853,5773, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # 430 MG MG 400 ATP O2G 1.800 2.400 &rst ixpk= 0, nxpk= 0, iat=5853,5768, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, / # # ---------------------------------------------------------- # Converting angle.aco to Amber torsion bounds # ---------------------------------------------------------- # 5855 atoms read from pdb file amber_structure001.pdb. # 1 DC DELTA: (1 DC C5')-(1 DC C4')-(1 DC C3')-(1 DC O3') 110.0 190.0 &rst iat = 35, 38, 55, 60, r1 = 109.0, r2 = 110.0, r3 = 190.0, r4 = 191.0, rk2 = 500, rk3 = 500, / # 2 DT DELTA: (2 DT C5')-(2 DT C4')-(2 DT C3')-(2 DT O3') 130.0 190.0 &rst iat = 65, 68, 87, 92, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, / # 3 DG DELTA: (3 DG C5')-(3 DG C4')-(3 DG C3')-(3 DG O3') 130.0 190.0 &rst iat = 97, 100, 120, 125, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, / # 4 DT DELTA: (4 DT C5')-(4 DT C4')-(4 DT C3')-(4 DT O3') 130.0 190.0 &rst iat = 130, 133, 152, 157, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, / # 5 DG DELTA: (5 DG C5')-(5 DG C4')-(5 DG C3')-(5 DG O3') 130.0 190.0 &rst iat = 162, 165, 185, 190, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, / # 7 DT DELTA: (7 DT C5')-(7 DT C4')-(7 DT C3')-(7 DT O3') 130.0 190.0 &rst iat = 225, 228, 247, 252, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, / # 8 DC DELTA: (8 DC C5')-(8 DC C4')-(8 DC C3')-(8 DC O3') 130.0 220.0 &rst iat = 257, 260, 277, 282, r1 = 129.0, r2 = 130.0, r3 = 220.0, r4 = 221.0, / # 9 DA DELTA: (9 DA3 C5')-(9 DA3 C4')-(9 DA3 C3')-(9 DA3 O3') 130.0 220.0 &rst iat = 287, 290, 309, 314, r1 = 129.0, r2 = 130.0, r3 = 220.0, r4 = 221.0, / # 40 SER PSI: (40 SER N)-(40 SER CA)-(40 SER C)-(41 SER N) -99.5 -79.5 &rst iat = 316, 320, 327, 329, r1 = -100.5, r2 = -99.5, r3 = -79.5, r4 = -78.5, / # 41 SER PSI: (41 SER N)-(41 SER CA)-(41 SER C)-(42 GLU N) -50.5 -16.5 &rst iat = 329, 331, 338, 340, r1 = -51.5, r2 = -50.5, r3 = -16.5, r4 = -15.5, / # 42 GLU PSI: (42 GLU N)-(42 GLU CA)-(42 GLU C)-(43 ARG N) -46.1 -26.1 &rst iat = 340, 342, 353, 355, r1 = -47.1, r2 = -46.1, r3 = -26.1, r4 = -25.1, / # 43 ARG PSI: (43 ARG N)-(43 ARG CA)-(43 ARG C)-(44 ILE N) -57.5 -37.5 &rst iat = 355, 357, 377, 379, r1 = -58.5, r2 = -57.5, r3 = -37.5, r4 = -36.5, / # 44 ILE PSI: (44 ILE N)-(44 ILE CA)-(44 ILE C)-(45 ARG N) -54.4 -34.4 &rst iat = 379, 381, 396, 398, r1 = -55.4, r2 = -54.4, r3 = -34.4, r4 = -33.4, / # 45 ARG PSI: (45 ARG N)-(45 ARG CA)-(45 ARG C)-(46 TYR N) -57.4 -37.4 &rst iat = 398, 400, 420, 422, r1 = -58.4, r2 = -57.4, r3 = -37.4, r4 = -36.4, / # 46 TYR PSI: (46 TYR N)-(46 TYR CA)-(46 TYR C)-(47 ALA N) -42.4 -22.4 &rst iat = 422, 424, 441, 443, r1 = -43.4, r2 = -42.4, r3 = -22.4, r4 = -21.4, / # 47 ALA PSI: (47 ALA N)-(47 ALA CA)-(47 ALA C)-(48 LYS N) -50.3 -30.3 &rst iat = 443, 445, 451, 453, r1 = -51.3, r2 = -50.3, r3 = -30.3, r4 = -29.3, / # 48 LYS PSI: (48 LYS N)-(48 LYS CA)-(48 LYS C)-(49 TRP N) -48.6 -28.6 &rst iat = 453, 455, 473, 475, r1 = -49.6, r2 = -48.6, r3 = -28.6, r4 = -27.6, / # 49 TRP PSI: (49 TRP N)-(49 TRP CA)-(49 TRP C)-(50 PHE N) -55.8 -35.8 &rst iat = 475, 477, 497, 499, r1 = -56.8, r2 = -55.8, r3 = -35.8, r4 = -34.8, / # 50 PHE PSI: (50 PHE N)-(50 PHE CA)-(50 PHE C)-(51 LEU N) -61.0 -41.0 &rst iat = 499, 501, 517, 519, r1 = -62.0, r2 = -61.0, r3 = -41.0, r4 = -40.0, / # 51 LEU PSI: (51 LEU N)-(51 LEU CA)-(51 LEU C)-(52 GLU N) -51.5 -31.5 &rst iat = 519, 521, 536, 538, r1 = -52.5, r2 = -51.5, r3 = -31.5, r4 = -30.5, / # 52 GLU PSI: (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 HID N) -33.9 -13.9 &rst iat = 538, 540, 551, 553, r1 = -34.9, r2 = -33.9, r3 = -13.9, r4 = -12.9, / # 24 HIS PSI: (53 HID N)-(53 HID CA)-(53 HID C)-(54 GLY N) 6.4 26.4 &rst iat = 553, 555, 568, 570, r1 = 5.4, r2 = 6.4, r3 = 26.4, r4 = 27.4, / # 54 GLY PSI: (54 GLY N)-(54 GLY CA)-(54 GLY C)-(55 PHE N) -10.4 21.6 &rst iat = 570, 572, 575, 577, r1 = -11.4, r2 = -10.4, r3 = 21.6, r4 = 22.6, / # 55 PHE PSI: (55 PHE N)-(55 PHE CA)-(55 PHE C)-(56 ASN N) 126.1 146.1 &rst iat = 577, 579, 595, 597, r1 = 125.1, r2 = 126.1, r3 = 146.1, r4 = 147.1, / # 56 ASN PSI: (56 ASN N)-(56 ASN CA)-(56 ASN C)-(57 ILE N) 132.5 152.5 &rst iat = 597, 599, 609, 611, r1 = 131.5, r2 = 132.5, r3 = 152.5, r4 = 153.5, / # 57 ILE PSI: (57 ILE N)-(57 ILE CA)-(57 ILE C)-(58 ILE N) 151.0 171.0 &rst iat = 611, 613, 628, 630, r1 = 150.0, r2 = 151.0, r3 = 171.0, r4 = 172.0, / # 58 ILE PSI: (58 ILE N)-(58 ILE CA)-(58 ILE C)-(59 PRO N) 119.0 139.0 &rst iat = 630, 632, 647, 649, r1 = 118.0, r2 = 119.0, r3 = 139.0, r4 = 140.0, / # 59 PRO PSI: (59 PRO N)-(59 PRO CA)-(59 PRO C)-(60 ILE N) 120.7 152.7 &rst iat = 649, 659, 661, 663, r1 = 119.7, r2 = 120.7, r3 = 152.7, r4 = 153.7, / # 60 ILE PSI: (60 ILE N)-(60 ILE CA)-(60 ILE C)-(61 ASP N) 116.2 136.2 &rst iat = 663, 665, 680, 682, r1 = 115.2, r2 = 116.2, r3 = 136.2, r4 = 137.2, / # 61 ASP PSI: (61 ASP N)-(61 ASP CA)-(61 ASP C)-(62 PRO N) 107.3 132.3 &rst iat = 682, 684, 692, 694, r1 = 106.3, r2 = 107.3, r3 = 132.3, r4 = 133.3, / # 62 PRO PSI: (62 PRO N)-(62 PRO CA)-(62 PRO C)-(63 GLU N) -36.2 -0.2 &rst iat = 694, 704, 706, 708, r1 = -37.2, r2 = -36.2, r3 = -0.2, r4 = 0.8, / # 63 GLU PSI: (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 SER N) -60.7 -25.7 &rst iat = 708, 710, 721, 723, r1 = -61.7, r2 = -60.7, r3 = -25.7, r4 = -24.7, / # 64 SER PSI: (64 SER N)-(64 SER CA)-(64 SER C)-(65 LYS N) -58.5 19.0 &rst iat = 723, 725, 732, 734, r1 = -59.5, r2 = -58.5, r3 = 19.0, r4 = 20.0, / # 65 LYS PSI: (65 LYS N)-(65 LYS CA)-(65 LYS C)-(66 LYS N) -6.8 35.8 &rst iat = 734, 736, 754, 756, r1 = -7.8, r2 = -6.8, r3 = 35.8, r4 = 36.8, / # 66 LYS PSI: (66 LYS N)-(66 LYS CA)-(66 LYS C)-(67 PRO N) 147.9 185.9 &rst iat = 756, 758, 776, 778, r1 = 146.9, r2 = 147.9, r3 = 185.9, r4 = 186.9, / # 67 PRO PSI: (67 PRO N)-(67 PRO CA)-(67 PRO C)-(68 VAL N) 131.9 163.9 &rst iat = 778, 788, 790, 792, r1 = 130.9, r2 = 131.9, r3 = 163.9, r4 = 164.9, / # 68 VAL PSI: (68 VAL N)-(68 VAL CA)-(68 VAL C)-(69 LEU N) -36.5 -16.5 &rst iat = 792, 794, 806, 808, r1 = -37.5, r2 = -36.5, r3 = -16.5, r4 = -15.5, / # 69 LEU PSI: (69 LEU N)-(69 LEU CA)-(69 LEU C)-(70 LYS N) 129.9 149.9 &rst iat = 808, 810, 825, 827, r1 = 128.9, r2 = 129.9, r3 = 149.9, r4 = 150.9, / # 70 LYS PSI: (70 LYS N)-(70 LYS CA)-(70 LYS C)-(71 GLU N) -59.6 -30.6 &rst iat = 827, 829, 847, 849, r1 = -60.6, r2 = -59.6, r3 = -30.6, r4 = -29.6, / # 71 GLU PSI: (71 GLU N)-(71 GLU CA)-(71 GLU C)-(72 TRP N) 44.5 74.5 &rst iat = 849, 851, 862, 864, r1 = 43.5, r2 = 44.5, r3 = 74.5, r4 = 75.5, / # 72 TRP PSI: (72 TRP N)-(72 TRP CA)-(72 TRP C)-(73 GLN N) -36.4 -16.4 &rst iat = 864, 866, 886, 888, r1 = -37.4, r2 = -36.4, r3 = -16.4, r4 = -15.4, / # 73 GLN PSI: (73 GLN N)-(73 GLN CA)-(73 GLN C)-(74 LYS N) -36.7 -6.7 &rst iat = 888, 890, 903, 905, r1 = -37.7, r2 = -36.7, r3 = -6.7, r4 = -5.7, / # 74 LYS PSI: (74 LYS N)-(74 LYS CA)-(74 LYS C)-(75 TYR N) -37.6 -17.6 &rst iat = 905, 907, 925, 927, r1 = -38.6, r2 = -37.6, r3 = -17.6, r4 = -16.6, / # 75 TYR PSI: (75 TYR N)-(75 TYR CA)-(75 TYR C)-(76 SER N) -15.4 4.6 &rst iat = 927, 929, 946, 948, r1 = -16.4, r2 = -15.4, r3 = 4.6, r4 = 5.6, / # 76 SER PSI: (76 SER N)-(76 SER CA)-(76 SER C)-(77 HID N) -21.5 -1.5 &rst iat = 948, 950, 957, 959, r1 = -22.5, r2 = -21.5, r3 = -1.5, r4 = -0.5, / # 48 HIS PSI: (77 HID N)-(77 HID CA)-(77 HID C)-(78 GLU N) -33.8 -2.8 &rst iat = 959, 961, 974, 976, r1 = -34.8, r2 = -33.8, r3 = -2.8, r4 = -1.8, / # 78 GLU PSI: (78 GLU N)-(78 GLU CA)-(78 GLU C)-(79 MET N) 156.5 176.5 &rst iat = 976, 978, 989, 991, r1 = 155.5, r2 = 156.5, r3 = 176.5, r4 = 177.5, / # 79 MET PSI: (79 MET N)-(79 MET CA)-(79 MET C)-(80 PRO N) 131.6 151.6 &rst iat = 991, 993, 1006, 1008, r1 = 130.6, r2 = 131.6, r3 = 151.6, r4 = 152.6, / # 80 PRO PSI: (80 PRO N)-(80 PRO CA)-(80 PRO C)-(81 SER N) 123.4 143.4 &rst iat = 1008, 1018, 1020, 1022, r1 = 122.4, r2 = 123.4, r3 = 143.4, r4 = 144.4, / # 81 SER PSI: (81 SER N)-(81 SER CA)-(81 SER C)-(82 ASP N) 124.7 146.7 &rst iat = 1022, 1024, 1031, 1033, r1 = 123.7, r2 = 124.7, r3 = 146.7, r4 = 147.7, / # 82 ASP PSI: (82 ASP N)-(82 ASP CA)-(82 ASP C)-(83 GLU N) -46.9 -26.9 &rst iat = 1033, 1035, 1043, 1045, r1 = -47.9, r2 = -46.9, r3 = -26.9, r4 = -25.9, / # 83 GLU PSI: (83 GLU N)-(83 GLU CA)-(83 GLU C)-(84 GLU N) -51.1 -31.1 &rst iat = 1045, 1047, 1058, 1060, r1 = -52.1, r2 = -51.1, r3 = -31.1, r4 = -30.1, / # 84 GLU PSI: (84 GLU N)-(84 GLU CA)-(84 GLU C)-(85 LYS N) -54.4 -34.4 &rst iat = 1060, 1062, 1073, 1075, r1 = -55.4, r2 = -54.4, r3 = -34.4, r4 = -33.4, / # 85 LYS PSI: (85 LYS N)-(85 LYS CA)-(85 LYS C)-(86 GLN N) -62.1 -42.1 &rst iat = 1075, 1077, 1095, 1097, r1 = -63.1, r2 = -62.1, r3 = -42.1, r4 = -41.1, / # 86 GLN PSI: (86 GLN N)-(86 GLN CA)-(86 GLN C)-(87 ARG N) -50.9 -30.9 &rst iat = 1097, 1099, 1112, 1114, r1 = -51.9, r2 = -50.9, r3 = -30.9, r4 = -29.9, / # 87 ARG PSI: (87 ARG N)-(87 ARG CA)-(87 ARG C)-(88 PHE N) -52.2 -32.2 &rst iat = 1114, 1116, 1136, 1138, r1 = -53.2, r2 = -52.2, r3 = -32.2, r4 = -31.2, / # 88 PHE PSI: (88 PHE N)-(88 PHE CA)-(88 PHE C)-(89 LEU N) -52.9 -32.9 &rst iat = 1138, 1140, 1156, 1158, r1 = -53.9, r2 = -52.9, r3 = -32.9, r4 = -31.9, / # 89 LEU PSI: (89 LEU N)-(89 LEU CA)-(89 LEU C)-(90 LYS N) -54.6 -34.6 &rst iat = 1158, 1160, 1175, 1177, r1 = -55.6, r2 = -54.6, r3 = -34.6, r4 = -33.6, / # 90 LYS PSI: (90 LYS N)-(90 LYS CA)-(90 LYS C)-(91 MET N) -48.6 -28.6 &rst iat = 1177, 1179, 1197, 1199, r1 = -49.6, r2 = -48.6, r3 = -28.6, r4 = -27.6, / # 91 MET PSI: (91 MET N)-(91 MET CA)-(91 MET C)-(92 ILE N) -54.3 -34.3 &rst iat = 1199, 1201, 1214, 1216, r1 = -55.3, r2 = -54.3, r3 = -34.3, r4 = -33.3, / # 92 ILE PSI: (92 ILE N)-(92 ILE CA)-(92 ILE C)-(93 GLU N) -49.8 -29.8 &rst iat = 1216, 1218, 1233, 1235, r1 = -50.8, r2 = -49.8, r3 = -29.8, r4 = -28.8, / # 93 GLU PSI: (93 GLU N)-(93 GLU CA)-(93 GLU C)-(94 GLU N) -44.4 -24.4 &rst iat = 1235, 1237, 1248, 1250, r1 = -45.4, r2 = -44.4, r3 = -24.4, r4 = -23.4, / # 94 GLU PSI: (94 GLU N)-(94 GLU CA)-(94 GLU C)-(95 GLY N) -22.2 7.8 &rst iat = 1250, 1252, 1263, 1265, r1 = -23.2, r2 = -22.2, r3 = 7.8, r4 = 8.8, / # 95 GLY PSI: (95 GLY N)-(95 GLY CA)-(95 GLY C)-(96 TYR N) -23.2 6.8 &rst iat = 1265, 1267, 1270, 1272, r1 = -24.2, r2 = -23.2, r3 = 6.8, r4 = 7.8, / # 96 TYR PSI: (96 TYR N)-(96 TYR CA)-(96 TYR C)-(97 ASN N) 137.5 157.5 &rst iat = 1272, 1274, 1291, 1293, r1 = 136.5, r2 = 137.5, r3 = 157.5, r4 = 158.5, / # 97 ASN PSI: (97 ASN N)-(97 ASN CA)-(97 ASN C)-(98 TYR N) -188.1 -168.1 &rst iat = 1293, 1295, 1305, 1307, r1 = -189.1, r2 = -188.1, r3 = -168.1, r4 = -167.1, / # 98 TYR PSI: (98 TYR N)-(98 TYR CA)-(98 TYR C)-(99 ALA N) 150.0 170.0 &rst iat = 1307, 1309, 1326, 1328, r1 = 149.0, r2 = 150.0, r3 = 170.0, r4 = 171.0, / # 99 ALA PSI: (99 ALA N)-(99 ALA CA)-(99 ALA C)-(100 ILE N) 143.9 163.9 &rst iat = 1328, 1330, 1336, 1338, r1 = 142.9, r2 = 143.9, r3 = 163.9, r4 = 164.9, / # 100 ILE PSI: (100 ILE N)-(100 ILE CA)-(100 ILE C)-(101 PRO N) 104.9 124.9 &rst iat = 1338, 1340, 1355, 1357, r1 = 103.9, r2 = 104.9, r3 = 124.9, r4 = 125.9, / # 101 PRO PSI: (101 PRO N)-(101 PRO CA)-(101 PRO C)-(102 GLY N) 134.2 154.2 &rst iat = 1357, 1367, 1369, 1371, r1 = 133.2, r2 = 134.2, r3 = 154.2, r4 = 155.2, / # 102 GLY PSI: (102 GLY N)-(102 GLY CA)-(102 GLY C)-(103 GLY N) 162.1 182.1 &rst iat = 1371, 1373, 1376, 1378, r1 = 161.1, r2 = 162.1, r3 = 182.1, r4 = 183.1, / # 103 GLY PSI: (103 GLY N)-(103 GLY CA)-(103 GLY C)-(104 GLN N) -59.6 -39.6 &rst iat = 1378, 1380, 1383, 1385, r1 = -60.6, r2 = -59.6, r3 = -39.6, r4 = -38.6, / # 104 GLN PSI: (104 GLN N)-(104 GLN CA)-(104 GLN C)-(105 LYS N) 127.6 147.6 &rst iat = 1385, 1387, 1400, 1402, r1 = 126.6, r2 = 127.6, r3 = 147.6, r4 = 148.6, / # 105 LYS PSI: (105 LYS N)-(105 LYS CA)-(105 LYS C)-(106 GLY N) 6.8 26.8 &rst iat = 1402, 1404, 1422, 1424, r1 = 5.8, r2 = 6.8, r3 = 26.8, r4 = 27.8, / # 106 GLY PSI: (106 GLY N)-(106 GLY CA)-(106 GLY C)-(107 LEU N) -15.6 34.4 &rst iat = 1424, 1426, 1429, 1431, r1 = -16.6, r2 = -15.6, r3 = 34.4, r4 = 35.4, / # 107 LEU PSI: (107 LEU N)-(107 LEU CA)-(107 LEU C)-(108 VAL N) 120.1 140.1 &rst iat = 1431, 1433, 1448, 1450, r1 = 119.1, r2 = 120.1, r3 = 140.1, r4 = 141.1, / # 108 VAL PSI: (108 VAL N)-(108 VAL CA)-(108 VAL C)-(109 ILE N) 133.6 173.6 &rst iat = 1450, 1452, 1464, 1466, r1 = 132.6, r2 = 133.6, r3 = 173.6, r4 = 174.6, / # 109 ILE PSI: (109 ILE N)-(109 ILE CA)-(109 ILE C)-(110 LEU N) 111.1 131.1 &rst iat = 1466, 1468, 1483, 1485, r1 = 110.1, r2 = 111.1, r3 = 131.1, r4 = 132.1, / # 110 LEU PSI: (110 LEU N)-(110 LEU CA)-(110 LEU C)-(111 ASP N) 101.2 121.2 &rst iat = 1485, 1487, 1502, 1504, r1 = 100.2, r2 = 101.2, r3 = 121.2, r4 = 122.2, / # 111 ASP PSI: (111 ASP N)-(111 ASP CA)-(111 ASP C)-(112 PHE N) 73.8 113.8 &rst iat = 1504, 1506, 1514, 1516, r1 = 72.8, r2 = 73.8, r3 = 113.8, r4 = 114.8, / # 112 PHE PSI: (112 PHE N)-(112 PHE CA)-(112 PHE C)-(113 GLU N) 104.6 155.6 &rst iat = 1516, 1518, 1534, 1536, r1 = 103.6, r2 = 104.6, r3 = 155.6, r4 = 156.6, / # 113 GLU PSI: (113 GLU N)-(113 GLU CA)-(113 GLU C)-(114 SER N) -48.8 -10.6 &rst iat = 1536, 1538, 1549, 1551, r1 = -49.8, r2 = -48.8, r3 = -10.6, r4 = -9.6, / # 114 SER PSI: (114 SER N)-(114 SER CA)-(114 SER C)-(115 LYS N) 107.9 129.9 &rst iat = 1551, 1553, 1560, 1562, r1 = 106.9, r2 = 107.9, r3 = 129.9, r4 = 130.9, / # 115 LYS PSI: (115 LYS N)-(115 LYS CA)-(115 LYS C)-(116 GLU N) -45.0 -25.0 &rst iat = 1562, 1564, 1582, 1584, r1 = -46.0, r2 = -45.0, r3 = -25.0, r4 = -24.0, / # 116 GLU PSI: (116 GLU N)-(116 GLU CA)-(116 GLU C)-(117 LYS N) -51.5 -31.5 &rst iat = 1584, 1586, 1597, 1599, r1 = -52.5, r2 = -51.5, r3 = -31.5, r4 = -30.5, / # 117 LYS PSI: (117 LYS N)-(117 LYS CA)-(117 LYS C)-(118 LEU N) -56.5 -34.5 &rst iat = 1599, 1601, 1619, 1621, r1 = -57.5, r2 = -56.5, r3 = -34.5, r4 = -33.5, / # 118 LEU PSI: (118 LEU N)-(118 LEU CA)-(118 LEU C)-(119 LYS N) -51.2 -31.2 &rst iat = 1621, 1623, 1638, 1640, r1 = -52.2, r2 = -51.2, r3 = -31.2, r4 = -30.2, / # 119 LYS PSI: (119 LYS N)-(119 LYS CA)-(119 LYS C)-(120 ALA N) -53.6 -33.6 &rst iat = 1640, 1642, 1660, 1662, r1 = -54.6, r2 = -53.6, r3 = -33.6, r4 = -32.6, / # 120 ALA PSI: (120 ALA N)-(120 ALA CA)-(120 ALA C)-(121 TRP N) -44.8 -24.8 &rst iat = 1662, 1664, 1670, 1672, r1 = -45.8, r2 = -44.8, r3 = -24.8, r4 = -23.8, / # 121 TRP PSI: (121 TRP N)-(121 TRP CA)-(121 TRP C)-(122 ILE N) -63.5 -35.5 &rst iat = 1672, 1674, 1694, 1696, r1 = -64.5, r2 = -63.5, r3 = -35.5, r4 = -34.5, / # 122 ILE PSI: (122 ILE N)-(122 ILE CA)-(122 ILE C)-(123 GLY N) -35.2 -0.2 &rst iat = 1696, 1698, 1713, 1715, r1 = -36.2, r2 = -35.2, r3 = -0.2, r4 = 0.8, / # 123 GLY PSI: (123 GLY N)-(123 GLY CA)-(123 GLY C)-(124 GLU N) 142.6 162.6 &rst iat = 1715, 1717, 1720, 1722, r1 = 141.6, r2 = 142.6, r3 = 162.6, r4 = 163.6, / # 124 GLU PSI: (124 GLU N)-(124 GLU CA)-(124 GLU C)-(125 SER N) -42.8 -22.8 &rst iat = 1722, 1724, 1735, 1737, r1 = -43.8, r2 = -42.8, r3 = -22.8, r4 = -21.8, / # 125 SER PSI: (125 SER N)-(125 SER CA)-(125 SER C)-(126 ALA N) -54.4 -34.4 &rst iat = 1737, 1739, 1746, 1748, r1 = -55.4, r2 = -54.4, r3 = -34.4, r4 = -33.4, / # 126 ALA PSI: (126 ALA N)-(126 ALA CA)-(126 ALA C)-(127 LEU N) -45.3 -25.3 &rst iat = 1748, 1750, 1756, 1758, r1 = -46.3, r2 = -45.3, r3 = -25.3, r4 = -24.3, / # 127 LEU PSI: (127 LEU N)-(127 LEU CA)-(127 LEU C)-(128 GLU N) -50.3 -30.3 &rst iat = 1758, 1760, 1775, 1777, r1 = -51.3, r2 = -50.3, r3 = -30.3, r4 = -29.3, / # 128 GLU PSI: (128 GLU N)-(128 GLU CA)-(128 GLU C)-(129 GLU N) -46.8 -26.8 &rst iat = 1777, 1779, 1790, 1792, r1 = -47.8, r2 = -46.8, r3 = -26.8, r4 = -25.8, / # 129 GLU PSI: (129 GLU N)-(129 GLU CA)-(129 GLU C)-(130 LEU N) -53.2 -30.2 &rst iat = 1792, 1794, 1805, 1807, r1 = -54.2, r2 = -53.2, r3 = -30.2, r4 = -29.2, / # 130 LEU PSI: (130 LEU N)-(130 LEU CA)-(130 LEU C)-(102 CYM N) -52.8 -32.8 &rst iat = 1807, 1809, 1824, 1826, r1 = -53.8, r2 = -52.8, r3 = -32.8, r4 = -31.8, / # 102 CYS PSI: (102 CYM N)-(102 CYM CA)-(102 CYM C)-(132 ARG N) -32.7 -9.7 &rst iat = 1826, 1828, 1834, 1836, r1 = -33.7, r2 = -32.7, r3 = -9.7, r4 = -8.7, / # 132 ARG PSI: (132 ARG N)-(132 ARG CA)-(132 ARG C)-(133 LYS N) -43.4 -23.4 &rst iat = 1836, 1838, 1858, 1860, r1 = -44.4, r2 = -43.4, r3 = -23.4, r4 = -22.4, / # 133 LYS PSI: (133 LYS N)-(133 LYS CA)-(133 LYS C)-(134 THR N) -42.9 -22.9 &rst iat = 1860, 1862, 1880, 1882, r1 = -43.9, r2 = -42.9, r3 = -22.9, r4 = -21.9, / # 134 THR PSI: (134 THR N)-(134 THR CA)-(134 THR C)-(135 LEU N) 168.2 188.2 &rst iat = 1882, 1884, 1894, 1896, r1 = 167.2, r2 = 168.2, r3 = 188.2, r4 = 189.2, / # 135 LEU PSI: (135 LEU N)-(135 LEU CA)-(135 LEU C)-(107 CYM N) 114.2 134.2 &rst iat = 1896, 1898, 1913, 1915, r1 = 113.2, r2 = 114.2, r3 = 134.2, r4 = 135.2, / # 107 CYS PSI: (107 CYM N)-(107 CYM CA)-(107 CYM C)-(137 THR N) 128.5 148.5 &rst iat = 1915, 1917, 1923, 1925, r1 = 127.5, r2 = 128.5, r3 = 148.5, r4 = 149.5, / # 137 THR PSI: (137 THR N)-(137 THR CA)-(137 THR C)-(138 ASN N) 142.5 162.5 &rst iat = 1925, 1927, 1937, 1939, r1 = 141.5, r2 = 142.5, r3 = 162.5, r4 = 163.5, / # 138 ASN PSI: (138 ASN N)-(138 ASN CA)-(138 ASN C)-(139 THR N) 129.0 149.0 &rst iat = 1939, 1941, 1951, 1953, r1 = 128.0, r2 = 129.0, r3 = 149.0, r4 = 150.0, / # 139 THR PSI: (139 THR N)-(139 THR CA)-(139 THR C)-(140 VAL N) 153.8 182.8 &rst iat = 1953, 1955, 1965, 1967, r1 = 152.8, r2 = 153.8, r3 = 182.8, r4 = 183.8, / # 140 VAL PSI: (140 VAL N)-(140 VAL CA)-(140 VAL C)-(141 HID N) -39.0 -19.0 &rst iat = 1967, 1969, 1981, 1983, r1 = -40.0, r2 = -39.0, r3 = -19.0, r4 = -18.0, / # 112 HIS PSI: (141 HID N)-(141 HID CA)-(141 HID C)-(142 GLY N) -2.1 36.1 &rst iat = 1983, 1985, 1998, 2000, r1 = -3.1, r2 = -2.1, r3 = 36.1, r4 = 37.1, / # 142 GLY PSI: (142 GLY N)-(142 GLY CA)-(142 GLY C)-(143 GLY N) -5.9 27.9 &rst iat = 2000, 2002, 2005, 2007, r1 = -6.9, r2 = -5.9, r3 = 27.9, r4 = 28.9, / # 143 GLY PSI: (143 GLY N)-(143 GLY CA)-(143 GLY C)-(144 ILE N) -175.4 -155.4 &rst iat = 2007, 2009, 2012, 2014, r1 = -176.4, r2 = -175.4, r3 = -155.4, r4 = -154.4, / # 144 ILE PSI: (144 ILE N)-(144 ILE CA)-(144 ILE C)-(116 HIE N) 124.6 144.6 &rst iat = 2014, 2016, 2031, 2033, r1 = 123.6, r2 = 124.6, r3 = 144.6, r4 = 145.6, / # 116 HIS PSI: (116 HIE N)-(116 HIE CA)-(116 HIE C)-(146 ILE N) 122.1 142.1 &rst iat = 2033, 2035, 2048, 2050, r1 = 121.1, r2 = 122.1, r3 = 142.1, r4 = 143.1, / # 146 ILE PSI: (146 ILE N)-(146 ILE CA)-(146 ILE C)-(147 TYR N) 103.9 123.9 &rst iat = 2050, 2052, 2067, 2069, r1 = 102.9, r2 = 103.9, r3 = 123.9, r4 = 124.9, / # 147 TYR PSI: (147 TYR N)-(147 TYR CA)-(147 TYR C)-(148 VAL N) 117.4 137.4 &rst iat = 2069, 2071, 2088, 2090, r1 = 116.4, r2 = 117.4, r3 = 137.4, r4 = 138.4, / # 148 VAL PSI: (148 VAL N)-(148 VAL CA)-(148 VAL C)-(149 LEU N) 148.9 168.9 &rst iat = 2090, 2092, 2104, 2106, r1 = 147.9, r2 = 148.9, r3 = 168.9, r4 = 169.9, / # 149 LEU PSI: (149 LEU N)-(149 LEU CA)-(149 LEU C)-(150 SER N) 138.9 158.9 &rst iat = 2106, 2108, 2123, 2125, r1 = 137.9, r2 = 138.9, r3 = 158.9, r4 = 159.9, / # 150 SER PSI: (150 SER N)-(150 SER CA)-(150 SER C)-(151 ASN N) 136.1 156.1 &rst iat = 2125, 2127, 2134, 2136, r1 = 135.1, r2 = 136.1, r3 = 156.1, r4 = 157.1, / # 151 ASN PSI: (151 ASN N)-(151 ASN CA)-(151 ASN C)-(152 ASP N) -35.0 -15.0 &rst iat = 2136, 2138, 2148, 2150, r1 = -36.0, r2 = -35.0, r3 = -15.0, r4 = -14.0, / # 152 ASP PSI: (152 ASP N)-(152 ASP CA)-(152 ASP C)-(153 ILE N) 100.3 120.3 &rst iat = 2150, 2152, 2160, 2162, r1 = 99.3, r2 = 100.3, r3 = 120.3, r4 = 121.3, / # 153 ILE PSI: (153 ILE N)-(153 ILE CA)-(153 ILE C)-(154 PRO N) 148.0 168.0 &rst iat = 2162, 2164, 2179, 2181, r1 = 147.0, r2 = 148.0, r3 = 168.0, r4 = 169.0, / # 154 PRO PSI: (154 PRO N)-(154 PRO CA)-(154 PRO C)-(155 PRO N) 143.9 173.9 &rst iat = 2181, 2191, 2193, 2195, r1 = 142.9, r2 = 143.9, r3 = 173.9, r4 = 174.9, / # 155 PRO PSI: (155 PRO N)-(155 PRO CA)-(155 PRO C)-(127 HIE N) -16.5 15.5 &rst iat = 2195, 2205, 2207, 2209, r1 = -17.5, r2 = -16.5, r3 = 15.5, r4 = 16.5, / # 127 HIS PSI: (127 HIE N)-(127 HIE CA)-(127 HIE C)-(157 LYS N) 143.8 168.8 &rst iat = 2209, 2211, 2224, 2226, r1 = 142.8, r2 = 143.8, r3 = 168.8, r4 = 169.8, / # 157 LYS PSI: (157 LYS N)-(157 LYS CA)-(157 LYS C)-(158 ILE N) 141.6 161.6 &rst iat = 2226, 2228, 2246, 2248, r1 = 140.6, r2 = 141.6, r3 = 161.6, r4 = 162.6, / # 158 ILE PSI: (158 ILE N)-(158 ILE CA)-(158 ILE C)-(159 ASN N) 98.4 118.4 &rst iat = 2248, 2250, 2265, 2267, r1 = 97.4, r2 = 98.4, r3 = 118.4, r4 = 119.4, / # 161 LEU PSI: (161 LEU N)-(161 LEU CA)-(161 LEU C)-(162 PHE N) -55.5 -35.5 &rst iat = 2295, 2297, 2312, 2314, r1 = -56.5, r2 = -55.5, r3 = -35.5, r4 = -34.5, / # 162 PHE PSI: (162 PHE N)-(162 PHE CA)-(162 PHE C)-(163 GLU N) 125.7 165.7 &rst iat = 2314, 2316, 2332, 2334, r1 = 124.7, r2 = 125.7, r3 = 165.7, r4 = 166.7, / # 163 GLU PSI: (163 GLU N)-(163 GLU CA)-(163 GLU C)-(164 GLU N) 142.2 174.2 &rst iat = 2334, 2336, 2347, 2349, r1 = 141.2, r2 = 142.2, r3 = 174.2, r4 = 175.2, / # 164 GLU PSI: (164 GLU N)-(164 GLU CA)-(164 GLU C)-(165 ASN N) 109.5 139.5 &rst iat = 2349, 2351, 2362, 2364, r1 = 108.5, r2 = 109.5, r3 = 139.5, r4 = 140.5, / # 165 ASN PSI: (165 ASN N)-(165 ASN CA)-(165 ASN C)-(166 GLY N) 26.1 46.1 &rst iat = 2364, 2366, 2376, 2378, r1 = 25.1, r2 = 26.1, r3 = 46.1, r4 = 47.1, / # 166 GLY PSI: (166 GLY N)-(166 GLY CA)-(166 GLY C)-(167 LYS N) 0.9 20.9 &rst iat = 2378, 2380, 2383, 2385, r1 = -0.1, r2 = 0.9, r3 = 20.9, r4 = 21.9, / # 167 LYS PSI: (167 LYS N)-(167 LYS CA)-(167 LYS C)-(168 GLY N) 128.7 151.7 &rst iat = 2385, 2387, 2405, 2407, r1 = 127.7, r2 = 128.7, r3 = 151.7, r4 = 152.7, / # 168 GLY PSI: (168 GLY N)-(168 GLY CA)-(168 GLY C)-(169 ILE N) 124.5 144.5 &rst iat = 2407, 2409, 2412, 2414, r1 = 123.5, r2 = 124.5, r3 = 144.5, r4 = 145.5, / # 169 ILE PSI: (169 ILE N)-(169 ILE CA)-(169 ILE C)-(170 ILE N) -27.3 32.7 &rst iat = 2414, 2416, 2431, 2433, r1 = -28.3, r2 = -27.3, r3 = 32.7, r4 = 33.7, / # 170 ILE PSI: (170 ILE N)-(170 ILE CA)-(170 ILE C)-(171 ASP N) 127.1 149.1 &rst iat = 2433, 2435, 2450, 2452, r1 = 126.1, r2 = 127.1, r3 = 149.1, r4 = 150.1, / # 171 ASP PSI: (171 ASP N)-(171 ASP CA)-(171 ASP C)-(172 LEU N) 131.8 151.8 &rst iat = 2452, 2454, 2462, 2464, r1 = 130.8, r2 = 131.8, r3 = 151.8, r4 = 152.8, / # 172 LEU PSI: (172 LEU N)-(172 LEU CA)-(172 LEU C)-(173 GLN N) 103.8 123.8 &rst iat = 2464, 2466, 2481, 2483, r1 = 102.8, r2 = 103.8, r3 = 123.8, r4 = 124.8, / # 173 GLN PSI: (173 GLN N)-(173 GLN CA)-(173 GLN C)-(174 SER N) 99.3 119.3 &rst iat = 2483, 2485, 2498, 2500, r1 = 98.3, r2 = 99.3, r3 = 119.3, r4 = 120.3, / # 174 SER PSI: (174 SER N)-(174 SER CA)-(174 SER C)-(175 TYR N) -149.9 -129.9 &rst iat = 2500, 2502, 2509, 2511, r1 = -150.9, r2 = -149.9, r3 = -129.9, r4 = -128.9, / # 175 TYR PSI: (175 TYR N)-(175 TYR CA)-(175 TYR C)-(176 ASN N) 138.9 158.9 &rst iat = 2511, 2513, 2530, 2532, r1 = 137.9, r2 = 138.9, r3 = 158.9, r4 = 159.9, / # 176 ASN PSI: (176 ASN N)-(176 ASN CA)-(176 ASN C)-(177 SER N) 19.1 39.1 &rst iat = 2532, 2534, 2544, 2546, r1 = 18.1, r2 = 19.1, r3 = 39.1, r4 = 40.1, / # 177 SER PSI: (177 SER N)-(177 SER CA)-(177 SER C)-(178 TYR N) 145.6 185.6 &rst iat = 2546, 2548, 2555, 2557, r1 = 144.6, r2 = 145.6, r3 = 185.6, r4 = 186.6, / # 178 TYR PSI: (178 TYR N)-(178 TYR CA)-(178 TYR C)-(179 VAL N) 161.7 181.7 &rst iat = 2557, 2559, 2576, 2578, r1 = 160.7, r2 = 161.7, r3 = 181.7, r4 = 182.7, / # 179 VAL PSI: (179 VAL N)-(179 VAL CA)-(179 VAL C)-(180 LEU N) 135.3 158.3 &rst iat = 2578, 2580, 2592, 2594, r1 = 134.3, r2 = 135.3, r3 = 158.3, r4 = 159.3, / # 180 LEU PSI: (180 LEU N)-(180 LEU CA)-(180 LEU C)-(181 GLY N) 124.0 167.0 &rst iat = 2594, 2596, 2611, 2613, r1 = 123.0, r2 = 124.0, r3 = 167.0, r4 = 168.0, / # 181 GLY PSI: (181 GLY N)-(181 GLY CA)-(181 GLY C)-(182 LEU N) 142.2 162.2 &rst iat = 2613, 2615, 2618, 2620, r1 = 141.2, r2 = 142.2, r3 = 162.2, r4 = 163.2, / # 182 LEU PSI: (182 LEU N)-(182 LEU CA)-(182 LEU C)-(183 GLY N) 108.2 140.2 &rst iat = 2620, 2622, 2637, 2639, r1 = 107.2, r2 = 108.2, r3 = 140.2, r4 = 141.2, / # 183 GLY PSI: (183 GLY N)-(183 GLY CA)-(183 GLY C)-(184 SER N) -29.7 -9.7 &rst iat = 2639, 2641, 2644, 2646, r1 = -30.7, r2 = -29.7, r3 = -9.7, r4 = -8.7, / # 184 SER PSI: (184 SER N)-(184 SER CA)-(184 SER C)-(185 CYX N) 138.0 161.0 &rst iat = 2646, 2648, 2655, 2657, r1 = 137.0, r2 = 138.0, r3 = 161.0, r4 = 162.0, / # 156 CYS PSI: (185 CYX N)-(185 CYX CA)-(185 CYX C)-(186 VAL N) 153.6 173.6 &rst iat = 2657, 2659, 2665, 2667, r1 = 152.6, r2 = 153.6, r3 = 173.6, r4 = 174.6, / # 186 VAL PSI: (186 VAL N)-(186 VAL CA)-(186 VAL C)-(187 ASN N) 122.2 142.2 &rst iat = 2667, 2669, 2681, 2683, r1 = 121.2, r2 = 122.2, r3 = 142.2, r4 = 143.2, / # 187 ASN PSI: (187 ASN N)-(187 ASN CA)-(187 ASN C)-(159 HIE N) 107.3 127.3 &rst iat = 2683, 2685, 2695, 2697, r1 = 106.3, r2 = 107.3, r3 = 127.3, r4 = 128.3, / # 159 HIS PSI: (159 HIE N)-(159 HIE CA)-(159 HIE C)-(189 LEU N) -22.8 -2.8 &rst iat = 2697, 2699, 2712, 2714, r1 = -23.8, r2 = -22.8, r3 = -2.8, r4 = -1.8, / # 189 LEU PSI: (189 LEU N)-(189 LEU CA)-(189 LEU C)-(190 HID N) -44.1 -24.1 &rst iat = 2714, 2716, 2731, 2733, r1 = -45.1, r2 = -44.1, r3 = -24.1, r4 = -23.1, / # 161 HIS PSI: (190 HID N)-(190 HID CA)-(190 HID C)-(162 CYM N) -12.2 27.8 &rst iat = 2733, 2735, 2748, 2750, r1 = -13.2, r2 = -12.2, r3 = 27.8, r4 = 28.8, / # 162 CYS PSI: (162 CYM N)-(162 CYM CA)-(162 CYM C)-(192 THR N) 132.8 152.8 &rst iat = 2750, 2752, 2758, 2760, r1 = 131.8, r2 = 132.8, r3 = 152.8, r4 = 153.8, / # 192 THR PSI: (192 THR N)-(192 THR CA)-(192 THR C)-(193 THR N) -47.4 -20.4 &rst iat = 2760, 2762, 2772, 2774, r1 = -48.4, r2 = -47.4, r3 = -20.4, r4 = -19.4, / # 193 THR PSI: (193 THR N)-(193 THR CA)-(193 THR C)-(194 ASP N) 135.8 155.8 &rst iat = 2774, 2776, 2786, 2788, r1 = 134.8, r2 = 135.8, r3 = 155.8, r4 = 156.8, / # 194 ASP PSI: (194 ASP N)-(194 ASP CA)-(194 ASP C)-(195 LYS N) -19.1 29.9 &rst iat = 2788, 2790, 2798, 2800, r1 = -20.1, r2 = -19.1, r3 = 29.9, r4 = 30.9, / # 195 LYS PSI: (195 LYS N)-(195 LYS CA)-(195 LYS C)-(167 CYM N) -18.6 6.4 &rst iat = 2800, 2802, 2820, 2822, r1 = -19.6, r2 = -18.6, r3 = 6.4, r4 = 7.4, / # 167 CYS PSI: (167 CYM N)-(167 CYM CA)-(167 CYM C)-(197 PRO N) 106.2 126.2 &rst iat = 2822, 2824, 2830, 2832, r1 = 105.2, r2 = 106.2, r3 = 126.2, r4 = 127.2, / # 197 PRO PSI: (197 PRO N)-(197 PRO CA)-(197 PRO C)-(198 TRP N) -26.9 -6.9 &rst iat = 2832, 2842, 2844, 2846, r1 = -27.9, r2 = -26.9, r3 = -6.9, r4 = -5.9, / # 198 TRP PSI: (198 TRP N)-(198 TRP CA)-(198 TRP C)-(199 LYS N) 10.3 42.3 &rst iat = 2846, 2848, 2868, 2870, r1 = 9.3, r2 = 10.3, r3 = 42.3, r4 = 43.3, / # 199 LYS PSI: (199 LYS N)-(199 LYS CA)-(199 LYS C)-(200 GLU N) 116.2 136.2 &rst iat = 2870, 2872, 2890, 2892, r1 = 115.2, r2 = 116.2, r3 = 136.2, r4 = 137.2, / # 200 GLU PSI: (200 GLU N)-(200 GLU CA)-(200 GLU C)-(201 GLN N) 7.0 27.0 &rst iat = 2892, 2894, 2905, 2907, r1 = 6.0, r2 = 7.0, r3 = 27.0, r4 = 28.0, / # 201 GLN PSI: (201 GLN N)-(201 GLN CA)-(201 GLN C)-(202 ASN N) 132.9 152.9 &rst iat = 2907, 2909, 2922, 2924, r1 = 131.9, r2 = 132.9, r3 = 152.9, r4 = 153.9, / # 202 ASN PSI: (202 ASN N)-(202 ASN CA)-(202 ASN C)-(203 TYR N) 63.3 105.3 &rst iat = 2924, 2926, 2936, 2938, r1 = 62.3, r2 = 63.3, r3 = 105.3, r4 = 106.3, / # 203 TYR PSI: (203 TYR N)-(203 TYR CA)-(203 TYR C)-(204 THR N) 116.7 146.7 &rst iat = 2938, 2940, 2957, 2959, r1 = 115.7, r2 = 116.7, r3 = 146.7, r4 = 147.7, / # 204 THR PSI: (204 THR N)-(204 THR CA)-(204 THR C)-(205 THR N) 120.1 142.1 &rst iat = 2959, 2961, 2971, 2973, r1 = 119.1, r2 = 120.1, r3 = 142.1, r4 = 143.1, / # 205 THR PSI: (205 THR N)-(205 THR CA)-(205 THR C)-(206 CYX N) 160.2 199.2 &rst iat = 2973, 2975, 2985, 2987, r1 = 159.2, r2 = 160.2, r3 = 199.2, r4 = 200.2, / # 177 CYS PSI: (206 CYX N)-(206 CYX CA)-(206 CYX C)-(207 TYR N) 153.6 173.6 &rst iat = 2987, 2989, 2995, 2997, r1 = 152.6, r2 = 153.6, r3 = 173.6, r4 = 174.6, / # 207 TYR PSI: (207 TYR N)-(207 TYR CA)-(207 TYR C)-(208 THR N) 117.4 137.4 &rst iat = 2997, 2999, 3016, 3018, r1 = 116.4, r2 = 117.4, r3 = 137.4, r4 = 138.4, / # 208 THR PSI: (208 THR N)-(208 THR CA)-(208 THR C)-(209 LEU N) 150.6 170.6 &rst iat = 3018, 3020, 3030, 3032, r1 = 149.6, r2 = 150.6, r3 = 170.6, r4 = 171.6, / # 209 LEU PSI: (209 LEU N)-(209 LEU CA)-(209 LEU C)-(210 TYR N) 123.2 143.2 &rst iat = 3032, 3034, 3049, 3051, r1 = 122.2, r2 = 123.2, r3 = 143.2, r4 = 144.2, / # 210 TYR PSI: (210 TYR N)-(210 TYR CA)-(210 TYR C)-(211 ASN N) -49.7 -27.7 &rst iat = 3051, 3053, 3070, 3072, r1 = -50.7, r2 = -49.7, r3 = -27.7, r4 = -26.7, / # 211 ASN PSI: (211 ASN N)-(211 ASN CA)-(211 ASN C)-(212 GLU N) -100.6 -57.6 &rst iat = 3072, 3074, 3084, 3086, r1 = -101.6, r2 = -100.6, r3 = -57.6, r4 = -56.6, / # 212 GLU PSI: (212 GLU N)-(212 GLU CA)-(212 GLU C)-(213 LEU N) 156.5 176.5 &rst iat = 3086, 3088, 3099, 3101, r1 = 155.5, r2 = 156.5, r3 = 176.5, r4 = 177.5, / # 213 LEU PSI: (213 LEU N)-(213 LEU CA)-(213 LEU C)-(214 LYS N) 110.6 130.6 &rst iat = 3101, 3103, 3118, 3120, r1 = 109.6, r2 = 110.6, r3 = 130.6, r4 = 131.6, / # 214 LYS PSI: (214 LYS N)-(214 LYS CA)-(214 LYS C)-(215 GLU N) 152.9 172.9 &rst iat = 3120, 3122, 3140, 3142, r1 = 151.9, r2 = 152.9, r3 = 172.9, r4 = 173.9, / # 215 GLU PSI: (215 GLU N)-(215 GLU CA)-(215 GLU C)-(216 ILE N) 136.2 156.2 &rst iat = 3142, 3144, 3155, 3157, r1 = 135.2, r2 = 136.2, r3 = 156.2, r4 = 157.2, / # 216 ILE PSI: (216 ILE N)-(216 ILE CA)-(216 ILE C)-(217 SER N) 113.7 136.7 &rst iat = 3157, 3159, 3174, 3176, r1 = 112.7, r2 = 113.7, r3 = 136.7, r4 = 137.7, / # 217 SER PSI: (217 SER N)-(217 SER CA)-(217 SER C)-(218 LYS N) 146.0 166.0 &rst iat = 3176, 3178, 3185, 3187, r1 = 145.0, r2 = 146.0, r3 = 166.0, r4 = 167.0, / # 218 LYS PSI: (218 LYS N)-(218 LYS CA)-(218 LYS C)-(219 VAL N) 125.7 145.7 &rst iat = 3187, 3189, 3207, 3209, r1 = 124.7, r2 = 125.7, r3 = 145.7, r4 = 146.7, / # 219 VAL PSI: (219 VAL N)-(219 VAL CA)-(219 VAL C)-(220 ASP N) 154.1 174.1 &rst iat = 3209, 3211, 3223, 3225, r1 = 153.1, r2 = 154.1, r3 = 174.1, r4 = 175.1, / # 220 ASP PSI: (220 ASP N)-(220 ASP CA)-(220 ASP C)-(221 LEU N) 96.4 116.4 &rst iat = 3225, 3227, 3235, 3237, r1 = 95.4, r2 = 96.4, r3 = 116.4, r4 = 117.4, / # 221 LEU PSI: (221 LEU N)-(221 LEU CA)-(221 LEU C)-(222 LYS N) -51.2 -31.2 &rst iat = 3237, 3239, 3254, 3256, r1 = -52.2, r2 = -51.2, r3 = -31.2, r4 = -30.2, / # 222 LYS PSI: (222 LYS N)-(222 LYS CA)-(222 LYS C)-(223 SER N) -45.0 -25.0 &rst iat = 3256, 3258, 3276, 3278, r1 = -46.0, r2 = -45.0, r3 = -25.0, r4 = -24.0, / # 223 SER PSI: (223 SER N)-(223 SER CA)-(223 SER C)-(224 LEU N) -49.0 -29.0 &rst iat = 3278, 3280, 3287, 3289, r1 = -50.0, r2 = -49.0, r3 = -29.0, r4 = -28.0, / # 224 LEU PSI: (224 LEU N)-(224 LEU CA)-(224 LEU C)-(225 LEU N) -54.3 -34.3 &rst iat = 3289, 3291, 3306, 3308, r1 = -55.3, r2 = -54.3, r3 = -34.3, r4 = -33.3, / # 225 LEU PSI: (225 LEU N)-(225 LEU CA)-(225 LEU C)-(226 ARG N) -48.3 -28.3 &rst iat = 3308, 3310, 3325, 3327, r1 = -49.3, r2 = -48.3, r3 = -28.3, r4 = -27.3, / # 226 ARG PSI: (226 ARG N)-(226 ARG CA)-(226 ARG C)-(227 PHE N) -45.3 -25.3 &rst iat = 3327, 3329, 3349, 3351, r1 = -46.3, r2 = -45.3, r3 = -25.3, r4 = -24.3, / # 227 PHE PSI: (227 PHE N)-(227 PHE CA)-(227 PHE C)-(228 LEU N) -58.8 -38.8 &rst iat = 3351, 3353, 3369, 3371, r1 = -59.8, r2 = -58.8, r3 = -38.8, r4 = -37.8, / # 228 LEU PSI: (228 LEU N)-(228 LEU CA)-(228 LEU C)-(229 ALA N) -52.2 -32.2 &rst iat = 3371, 3373, 3388, 3390, r1 = -53.2, r2 = -52.2, r3 = -32.2, r4 = -31.2, / # 229 ALA PSI: (229 ALA N)-(229 ALA CA)-(229 ALA C)-(230 GLU N) -50.4 -30.4 &rst iat = 3390, 3392, 3398, 3400, r1 = -51.4, r2 = -50.4, r3 = -30.4, r4 = -29.4, / # 230 GLU PSI: (230 GLU N)-(230 GLU CA)-(230 GLU C)-(231 LYS N) -58.1 -38.1 &rst iat = 3400, 3402, 3413, 3415, r1 = -59.1, r2 = -58.1, r3 = -38.1, r4 = -37.1, / # 231 LYS PSI: (231 LYS N)-(231 LYS CA)-(231 LYS C)-(232 GLY N) -43.5 -16.5 &rst iat = 3415, 3417, 3435, 3437, r1 = -44.5, r2 = -43.5, r3 = -16.5, r4 = -15.5, / # 232 GLY PSI: (232 GLY N)-(232 GLY CA)-(232 GLY C)-(233 LYS N) -29.1 -9.1 &rst iat = 3437, 3439, 3442, 3444, r1 = -30.1, r2 = -29.1, r3 = -9.1, r4 = -8.1, / # 233 LYS PSI: (233 LYS N)-(233 LYS CA)-(233 LYS C)-(234 ARG N) -58.9 -38.9 &rst iat = 3444, 3446, 3464, 3466, r1 = -59.9, r2 = -58.9, r3 = -38.9, r4 = -37.9, / # 234 ARG PSI: (234 ARG N)-(234 ARG CA)-(234 ARG C)-(235 LEU N) -28.8 -8.8 &rst iat = 3466, 3468, 3488, 3490, r1 = -29.8, r2 = -28.8, r3 = -8.8, r4 = -7.8, / # 235 LEU PSI: (235 LEU N)-(235 LEU CA)-(235 LEU C)-(236 GLY N) -1.1 18.9 &rst iat = 3490, 3492, 3507, 3509, r1 = -2.1, r2 = -1.1, r3 = 18.9, r4 = 19.9, / # 236 GLY PSI: (236 GLY N)-(236 GLY CA)-(236 GLY C)-(237 ILE N) 15.8 35.8 &rst iat = 3509, 3511, 3514, 3516, r1 = 14.8, r2 = 15.8, r3 = 35.8, r4 = 36.8, / # 237 ILE PSI: (237 ILE N)-(237 ILE CA)-(237 ILE C)-(238 THR N) 103.7 139.7 &rst iat = 3516, 3518, 3533, 3535, r1 = 102.7, r2 = 103.7, r3 = 139.7, r4 = 140.7, / # 238 THR PSI: (238 THR N)-(238 THR CA)-(238 THR C)-(239 LEU N) 143.6 163.6 &rst iat = 3535, 3537, 3547, 3549, r1 = 142.6, r2 = 143.6, r3 = 163.6, r4 = 164.6, / # 239 LEU PSI: (239 LEU N)-(239 LEU CA)-(239 LEU C)-(240 SER N) 129.1 149.1 &rst iat = 3549, 3551, 3566, 3568, r1 = 128.1, r2 = 129.1, r3 = 149.1, r4 = 150.1, / # 240 SER PSI: (240 SER N)-(240 SER CA)-(240 SER C)-(241 LYS N) 147.4 187.4 &rst iat = 3568, 3570, 3577, 3579, r1 = 146.4, r2 = 147.4, r3 = 187.4, r4 = 188.4, / # 241 LYS PSI: (241 LYS N)-(241 LYS CA)-(241 LYS C)-(242 THR N) -56.9 -34.9 &rst iat = 3579, 3581, 3599, 3601, r1 = -57.9, r2 = -56.9, r3 = -34.9, r4 = -33.9, / # 242 THR PSI: (242 THR N)-(242 THR CA)-(242 THR C)-(243 ALA N) -48.9 -28.9 &rst iat = 3601, 3603, 3613, 3615, r1 = -49.9, r2 = -48.9, r3 = -28.9, r4 = -27.9, / # 243 ALA PSI: (243 ALA N)-(243 ALA CA)-(243 ALA C)-(244 LYS N) -59.4 -39.4 &rst iat = 3615, 3617, 3623, 3625, r1 = -60.4, r2 = -59.4, r3 = -39.4, r4 = -38.4, / # 244 LYS PSI: (244 LYS N)-(244 LYS CA)-(244 LYS C)-(245 GLU N) -49.5 -29.5 &rst iat = 3625, 3627, 3645, 3647, r1 = -50.5, r2 = -49.5, r3 = -29.5, r4 = -28.5, / # 245 GLU PSI: (245 GLU N)-(245 GLU CA)-(245 GLU C)-(246 TRP N) -48.1 -28.1 &rst iat = 3647, 3649, 3660, 3662, r1 = -49.1, r2 = -48.1, r3 = -28.1, r4 = -27.1, / # 246 TRP PSI: (246 TRP N)-(246 TRP CA)-(246 TRP C)-(247 LEU N) -59.6 -32.6 &rst iat = 3662, 3664, 3684, 3686, r1 = -60.6, r2 = -59.6, r3 = -32.6, r4 = -31.6, / # 247 LEU PSI: (247 LEU N)-(247 LEU CA)-(247 LEU C)-(248 GLU N) -69.7 -21.7 &rst iat = 3686, 3688, 3703, 3705, r1 = -70.7, r2 = -69.7, r3 = -21.7, r4 = -20.7, / # 248 GLU PSI: (248 GLU N)-(248 GLU CA)-(248 GLU C)-(249 GLY N) 10.0 82.1 &rst iat = 3705, 3707, 3718, 3720, r1 = 9.0, r2 = 10.0, r3 = 82.1, r4 = 83.1, / # 41 SER PHI: (40 SER C)-(41 SER N)-(41 SER CA)-(41 SER C) -66.3 -46.3 &rst iat = 327, 329, 331, 338, r1 = -67.3, r2 = -66.3, r3 = -46.3, r4 = -45.3, / # 42 GLU PHI: (41 SER C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -79.1 -59.1 &rst iat = 338, 340, 342, 353, r1 = -80.1, r2 = -79.1, r3 = -59.1, r4 = -58.1, / # 43 ARG PHI: (42 GLU C)-(43 ARG N)-(43 ARG CA)-(43 ARG C) -66.9 -46.9 &rst iat = 353, 355, 357, 377, r1 = -67.9, r2 = -66.9, r3 = -46.9, r4 = -45.9, / # 44 ILE PHI: (43 ARG C)-(44 ILE N)-(44 ILE CA)-(44 ILE C) -82.4 -62.4 &rst iat = 377, 379, 381, 396, r1 = -83.4, r2 = -82.4, r3 = -62.4, r4 = -61.4, / # 45 ARG PHI: (44 ILE C)-(45 ARG N)-(45 ARG CA)-(45 ARG C) -67.1 -43.1 &rst iat = 396, 398, 400, 420, r1 = -68.1, r2 = -67.1, r3 = -43.1, r4 = -42.1, / # 46 TYR PHI: (45 ARG C)-(46 TYR N)-(46 TYR CA)-(46 TYR C) -90.7 -70.7 &rst iat = 420, 422, 424, 441, r1 = -91.7, r2 = -90.7, r3 = -70.7, r4 = -69.7, / # 47 ALA PHI: (46 TYR C)-(47 ALA N)-(47 ALA CA)-(47 ALA C) -72.0 -52.0 &rst iat = 441, 443, 445, 451, r1 = -73.0, r2 = -72.0, r3 = -52.0, r4 = -51.0, / # 48 LYS PHI: (47 ALA C)-(48 LYS N)-(48 LYS CA)-(48 LYS C) -72.7 -52.7 &rst iat = 451, 453, 455, 473, r1 = -73.7, r2 = -72.7, r3 = -52.7, r4 = -51.7, / # 49 TRP PHI: (48 LYS C)-(49 TRP N)-(49 TRP CA)-(49 TRP C) -72.4 -52.4 &rst iat = 473, 475, 477, 497, r1 = -73.4, r2 = -72.4, r3 = -52.4, r4 = -51.4, / # 50 PHE PHI: (49 TRP C)-(50 PHE N)-(50 PHE CA)-(50 PHE C) -72.8 -49.8 &rst iat = 497, 499, 501, 517, r1 = -73.8, r2 = -72.8, r3 = -49.8, r4 = -48.8, / # 51 LEU PHI: (50 PHE C)-(51 LEU N)-(51 LEU CA)-(51 LEU C) -67.7 -47.7 &rst iat = 517, 519, 521, 536, r1 = -68.7, r2 = -67.7, r3 = -47.7, r4 = -46.7, / # 52 GLU PHI: (51 LEU C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -80.8 -60.8 &rst iat = 536, 538, 540, 551, r1 = -81.8, r2 = -80.8, r3 = -60.8, r4 = -59.8, / # 24 HIS PHI: (52 GLU C)-(53 HID N)-(53 HID CA)-(53 HID C) -99.8 -79.8 &rst iat = 551, 553, 555, 568, r1 = -100.8, r2 = -99.8, r3 = -79.8, r4 = -78.8, / # 54 GLY PHI: (53 HID C)-(54 GLY N)-(54 GLY CA)-(54 GLY C) 65.5 105.5 &rst iat = 568, 570, 572, 575, r1 = 64.5, r2 = 65.5, r3 = 105.5, r4 = 106.5, / # 55 PHE PHI: (54 GLY C)-(55 PHE N)-(55 PHE CA)-(55 PHE C) -95.5 -75.5 &rst iat = 575, 577, 579, 595, r1 = -96.5, r2 = -95.5, r3 = -75.5, r4 = -74.5, / # 56 ASN PHI: (55 PHE C)-(56 ASN N)-(56 ASN CA)-(56 ASN C) -81.1 -61.1 &rst iat = 595, 597, 599, 609, r1 = -82.1, r2 = -81.1, r3 = -61.1, r4 = -60.1, / # 57 ILE PHI: (56 ASN C)-(57 ILE N)-(57 ILE CA)-(57 ILE C) -131.4 -111.4 &rst iat = 609, 611, 613, 628, r1 = -132.4, r2 = -131.4, r3 = -111.4, r4 = -110.4, / # 58 ILE PHI: (57 ILE C)-(58 ILE N)-(58 ILE CA)-(58 ILE C) -136.7 -116.7 &rst iat = 628, 630, 632, 647, r1 = -137.7, r2 = -136.7, r3 = -116.7, r4 = -115.7, / # 60 ILE PHI: (59 PRO C)-(60 ILE N)-(60 ILE CA)-(60 ILE C) -125.5 -105.5 &rst iat = 661, 663, 665, 680, r1 = -126.5, r2 = -125.5, r3 = -105.5, r4 = -104.5, / # 61 ASP PHI: (60 ILE C)-(61 ASP N)-(61 ASP CA)-(61 ASP C) -83.1 -63.1 &rst iat = 680, 682, 684, 692, r1 = -84.1, r2 = -83.1, r3 = -63.1, r4 = -62.1, / # 63 GLU PHI: (62 PRO C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -89.7 -59.7 &rst iat = 706, 708, 710, 721, r1 = -90.7, r2 = -89.7, r3 = -59.7, r4 = -58.7, / # 64 SER PHI: (63 GLU C)-(64 SER N)-(64 SER CA)-(64 SER C) -149.6 -50.6 &rst iat = 721, 723, 725, 732, r1 = -150.6, r2 = -149.6, r3 = -50.6, r4 = -49.6, / # 65 LYS PHI: (64 SER C)-(65 LYS N)-(65 LYS CA)-(65 LYS C) 48.0 79.0 &rst iat = 732, 734, 736, 754, r1 = 47.0, r2 = 48.0, r3 = 79.0, r4 = 80.0, / # 66 LYS PHI: (65 LYS C)-(66 LYS N)-(66 LYS CA)-(66 LYS C) -134.4 -98.0 &rst iat = 754, 756, 758, 776, r1 = -135.4, r2 = -134.4, r3 = -98.0, r4 = -97.0, / # 68 VAL PHI: (67 PRO C)-(68 VAL N)-(68 VAL CA)-(68 VAL C) -90.4 -58.4 &rst iat = 790, 792, 794, 806, r1 = -91.4, r2 = -90.4, r3 = -58.4, r4 = -57.4, / # 69 LEU PHI: (68 VAL C)-(69 LEU N)-(69 LEU CA)-(69 LEU C) -103.2 -83.2 &rst iat = 806, 808, 810, 825, r1 = -104.2, r2 = -103.2, r3 = -83.2, r4 = -82.2, / # 70 LYS PHI: (69 LEU C)-(70 LYS N)-(70 LYS CA)-(70 LYS C) -77.9 -47.9 &rst iat = 825, 827, 829, 847, r1 = -78.9, r2 = -77.9, r3 = -47.9, r4 = -46.9, / # 71 GLU PHI: (70 LYS C)-(71 GLU N)-(71 GLU CA)-(71 GLU C) -125.0 -95.0 &rst iat = 847, 849, 851, 862, r1 = -126.0, r2 = -125.0, r3 = -95.0, r4 = -94.0, / # 72 TRP PHI: (71 GLU C)-(72 TRP N)-(72 TRP CA)-(72 TRP C) -79.1 -59.1 &rst iat = 862, 864, 866, 886, r1 = -80.1, r2 = -79.1, r3 = -59.1, r4 = -58.1, / # 73 GLN PHI: (72 TRP C)-(73 GLN N)-(73 GLN CA)-(73 GLN C) -66.6 -44.6 &rst iat = 886, 888, 890, 903, r1 = -67.6, r2 = -66.6, r3 = -44.6, r4 = -43.6, / # 74 LYS PHI: (73 GLN C)-(74 LYS N)-(74 LYS CA)-(74 LYS C) -76.6 -56.6 &rst iat = 903, 905, 907, 925, r1 = -77.6, r2 = -76.6, r3 = -56.6, r4 = -55.6, / # 75 TYR PHI: (74 LYS C)-(75 TYR N)-(75 TYR CA)-(75 TYR C) -78.3 -58.3 &rst iat = 925, 927, 929, 946, r1 = -79.3, r2 = -78.3, r3 = -58.3, r4 = -57.3, / # 76 SER PHI: (75 TYR C)-(76 SER N)-(76 SER CA)-(76 SER C) -86.4 -66.4 &rst iat = 946, 948, 950, 957, r1 = -87.4, r2 = -86.4, r3 = -66.4, r4 = -65.4, / # 48 HIS PHI: (76 SER C)-(77 HID N)-(77 HID CA)-(77 HID C) -163.4 -131.4 &rst iat = 957, 959, 961, 974, r1 = -164.4, r2 = -163.4, r3 = -131.4, r4 = -130.4, / # 78 GLU PHI: (77 HID C)-(78 GLU N)-(78 GLU CA)-(78 GLU C) -84.6 -54.6 &rst iat = 974, 976, 978, 989, r1 = -85.6, r2 = -84.6, r3 = -54.6, r4 = -53.6, / # 79 MET PHI: (78 GLU C)-(79 MET N)-(79 MET CA)-(79 MET C) -92.2 -72.2 &rst iat = 989, 991, 993, 1006, r1 = -93.2, r2 = -92.2, r3 = -72.2, r4 = -71.2, / # 81 SER PHI: (80 PRO C)-(81 SER N)-(81 SER CA)-(81 SER C) -139.5 -89.5 &rst iat = 1020, 1022, 1024, 1031, r1 = -140.5, r2 = -139.5, r3 = -89.5, r4 = -88.5, / # 82 ASP PHI: (81 SER C)-(82 ASP N)-(82 ASP CA)-(82 ASP C) -72.4 -52.4 &rst iat = 1031, 1033, 1035, 1043, r1 = -73.4, r2 = -72.4, r3 = -52.4, r4 = -51.4, / # 83 GLU PHI: (82 ASP C)-(83 GLU N)-(83 GLU CA)-(83 GLU C) -76.7 -56.7 &rst iat = 1043, 1045, 1047, 1058, r1 = -77.7, r2 = -76.7, r3 = -56.7, r4 = -55.7, / # 84 GLU PHI: (83 GLU C)-(84 GLU N)-(84 GLU CA)-(84 GLU C) -75.3 -53.3 &rst iat = 1058, 1060, 1062, 1073, r1 = -76.3, r2 = -75.3, r3 = -53.3, r4 = -52.3, / # 85 LYS PHI: (84 GLU C)-(85 LYS N)-(85 LYS CA)-(85 LYS C) -64.5 -41.5 &rst iat = 1073, 1075, 1077, 1095, r1 = -65.5, r2 = -64.5, r3 = -41.5, r4 = -40.5, / # 86 GLN PHI: (85 LYS C)-(86 GLN N)-(86 GLN CA)-(86 GLN C) -70.9 -50.9 &rst iat = 1095, 1097, 1099, 1112, r1 = -71.9, r2 = -70.9, r3 = -50.9, r4 = -49.9, / # 87 ARG PHI: (86 GLN C)-(87 ARG N)-(87 ARG CA)-(87 ARG C) -76.9 -56.9 &rst iat = 1112, 1114, 1116, 1136, r1 = -77.9, r2 = -76.9, r3 = -56.9, r4 = -55.9, / # 88 PHE PHI: (87 ARG C)-(88 PHE N)-(88 PHE CA)-(88 PHE C) -78.8 -58.8 &rst iat = 1136, 1138, 1140, 1156, r1 = -79.8, r2 = -78.8, r3 = -58.8, r4 = -57.8, / # 89 LEU PHI: (88 PHE C)-(89 LEU N)-(89 LEU CA)-(89 LEU C) -64.7 -44.7 &rst iat = 1156, 1158, 1160, 1175, r1 = -65.7, r2 = -64.7, r3 = -44.7, r4 = -43.7, / # 90 LYS PHI: (89 LEU C)-(90 LYS N)-(90 LYS CA)-(90 LYS C) -75.3 -55.3 &rst iat = 1175, 1177, 1179, 1197, r1 = -76.3, r2 = -75.3, r3 = -55.3, r4 = -54.3, / # 91 MET PHI: (90 LYS C)-(91 MET N)-(91 MET CA)-(91 MET C) -67.9 -47.9 &rst iat = 1197, 1199, 1201, 1214, r1 = -68.9, r2 = -67.9, r3 = -47.9, r4 = -46.9, / # 92 ILE PHI: (91 MET C)-(92 ILE N)-(92 ILE CA)-(92 ILE C) -76.0 -56.0 &rst iat = 1214, 1216, 1218, 1233, r1 = -77.0, r2 = -76.0, r3 = -56.0, r4 = -55.0, / # 93 GLU PHI: (92 ILE C)-(93 GLU N)-(93 GLU CA)-(93 GLU C) -69.4 -49.4 &rst iat = 1233, 1235, 1237, 1248, r1 = -70.4, r2 = -69.4, r3 = -49.4, r4 = -48.4, / # 94 GLU PHI: (93 GLU C)-(94 GLU N)-(94 GLU CA)-(94 GLU C) -85.5 -65.5 &rst iat = 1248, 1250, 1252, 1263, r1 = -86.5, r2 = -85.5, r3 = -65.5, r4 = -64.5, / # 95 GLY PHI: (94 GLU C)-(95 GLY N)-(95 GLY CA)-(95 GLY C) 108.0 138.0 &rst iat = 1263, 1265, 1267, 1270, r1 = 107.0, r2 = 108.0, r3 = 138.0, r4 = 139.0, / # 96 TYR PHI: (95 GLY C)-(96 TYR N)-(96 TYR CA)-(96 TYR C) -71.2 -51.2 &rst iat = 1270, 1272, 1274, 1291, r1 = -72.2, r2 = -71.2, r3 = -51.2, r4 = -50.2, / # 97 ASN PHI: (96 TYR C)-(97 ASN N)-(97 ASN CA)-(97 ASN C) -89.3 -69.3 &rst iat = 1291, 1293, 1295, 1305, r1 = -90.3, r2 = -89.3, r3 = -69.3, r4 = -68.3, / # 98 TYR PHI: (97 ASN C)-(98 TYR N)-(98 TYR CA)-(98 TYR C) -160.1 -140.1 &rst iat = 1305, 1307, 1309, 1326, r1 = -161.1, r2 = -160.1, r3 = -140.1, r4 = -139.1, / # 99 ALA PHI: (98 TYR C)-(99 ALA N)-(99 ALA CA)-(99 ALA C) -145.7 -125.7 &rst iat = 1326, 1328, 1330, 1336, r1 = -146.7, r2 = -145.7, r3 = -125.7, r4 = -124.7, / # 100 ILE PHI: (99 ALA C)-(100 ILE N)-(100 ILE CA)-(100 ILE C) -119.6 -99.6 &rst iat = 1336, 1338, 1340, 1355, r1 = -120.6, r2 = -119.6, r3 = -99.6, r4 = -98.6, / # 102 GLY PHI: (101 PRO C)-(102 GLY N)-(102 GLY CA)-(102 GLY C) -87.7 -67.7 &rst iat = 1369, 1371, 1373, 1376, r1 = -88.7, r2 = -87.7, r3 = -67.7, r4 = -66.7, / # 103 GLY PHI: (102 GLY C)-(103 GLY N)-(103 GLY CA)-(103 GLY C) 80.1 100.1 &rst iat = 1376, 1378, 1380, 1383, r1 = 79.1, r2 = 80.1, r3 = 100.1, r4 = 101.1, / # 104 GLN PHI: (103 GLY C)-(104 GLN N)-(104 GLN CA)-(104 GLN C) -67.1 -47.1 &rst iat = 1383, 1385, 1387, 1400, r1 = -68.1, r2 = -67.1, r3 = -47.1, r4 = -46.1, / # 105 LYS PHI: (104 GLN C)-(105 LYS N)-(105 LYS CA)-(105 LYS C) 47.8 67.8 &rst iat = 1400, 1402, 1404, 1422, r1 = 46.8, r2 = 47.8, r3 = 67.8, r4 = 68.8, / # 106 GLY PHI: (105 LYS C)-(106 GLY N)-(106 GLY CA)-(106 GLY C) 58.5 118.5 &rst iat = 1422, 1424, 1426, 1429, r1 = 57.5, r2 = 58.5, r3 = 118.5, r4 = 119.5, / # 107 LEU PHI: (106 GLY C)-(107 LEU N)-(107 LEU CA)-(107 LEU C) -88.6 -58.6 &rst iat = 1429, 1431, 1433, 1448, r1 = -89.6, r2 = -88.6, r3 = -58.6, r4 = -57.6, / # 108 VAL PHI: (107 LEU C)-(108 VAL N)-(108 VAL CA)-(108 VAL C) -137.7 -117.7 &rst iat = 1448, 1450, 1452, 1464, r1 = -138.7, r2 = -137.7, r3 = -117.7, r4 = -116.7, / # 109 ILE PHI: (108 VAL C)-(109 ILE N)-(109 ILE CA)-(109 ILE C) -131.2 -111.2 &rst iat = 1464, 1466, 1468, 1483, r1 = -132.2, r2 = -131.2, r3 = -111.2, r4 = -110.2, / # 110 LEU PHI: (109 ILE C)-(110 LEU N)-(110 LEU CA)-(110 LEU C) -97.3 -77.3 &rst iat = 1483, 1485, 1487, 1502, r1 = -98.3, r2 = -97.3, r3 = -77.3, r4 = -76.3, / # 111 ASP PHI: (110 LEU C)-(111 ASP N)-(111 ASP CA)-(111 ASP C) -105.3 -85.3 &rst iat = 1502, 1504, 1506, 1514, r1 = -106.3, r2 = -105.3, r3 = -85.3, r4 = -84.3, / # 112 PHE PHI: (111 ASP C)-(112 PHE N)-(112 PHE CA)-(112 PHE C) -98.4 -78.4 &rst iat = 1514, 1516, 1518, 1534, r1 = -99.4, r2 = -98.4, r3 = -78.4, r4 = -77.4, / # 113 GLU PHI: (112 PHE C)-(113 GLU N)-(113 GLU CA)-(113 GLU C) -71.4 -49.4 &rst iat = 1534, 1536, 1538, 1549, r1 = -72.4, r2 = -71.4, r3 = -49.4, r4 = -48.4, / # 114 SER PHI: (113 GLU C)-(114 SER N)-(114 SER CA)-(114 SER C) -147.6 -122.6 &rst iat = 1549, 1551, 1553, 1560, r1 = -148.6, r2 = -147.6, r3 = -122.6, r4 = -121.6, / # 115 LYS PHI: (114 SER C)-(115 LYS N)-(115 LYS CA)-(115 LYS C) -71.5 -51.5 &rst iat = 1560, 1562, 1564, 1582, r1 = -72.5, r2 = -71.5, r3 = -51.5, r4 = -50.5, / # 116 GLU PHI: (115 LYS C)-(116 GLU N)-(116 GLU CA)-(116 GLU C) -77.0 -57.0 &rst iat = 1582, 1584, 1586, 1597, r1 = -78.0, r2 = -77.0, r3 = -57.0, r4 = -56.0, / # 117 LYS PHI: (116 GLU C)-(117 LYS N)-(117 LYS CA)-(117 LYS C) -70.4 -50.4 &rst iat = 1597, 1599, 1601, 1619, r1 = -71.4, r2 = -70.4, r3 = -50.4, r4 = -49.4, / # 118 LEU PHI: (117 LYS C)-(118 LEU N)-(118 LEU CA)-(118 LEU C) -71.4 -51.4 &rst iat = 1619, 1621, 1623, 1638, r1 = -72.4, r2 = -71.4, r3 = -51.4, r4 = -50.4, / # 119 LYS PHI: (118 LEU C)-(119 LYS N)-(119 LYS CA)-(119 LYS C) -69.6 -49.6 &rst iat = 1638, 1640, 1642, 1660, r1 = -70.6, r2 = -69.6, r3 = -49.6, r4 = -48.6, / # 120 ALA PHI: (119 LYS C)-(120 ALA N)-(120 ALA CA)-(120 ALA C) -80.2 -60.2 &rst iat = 1660, 1662, 1664, 1670, r1 = -81.2, r2 = -80.2, r3 = -60.2, r4 = -59.2, / # 121 TRP PHI: (120 ALA C)-(121 TRP N)-(121 TRP CA)-(121 TRP C) -81.1 -61.1 &rst iat = 1670, 1672, 1674, 1694, r1 = -82.1, r2 = -81.1, r3 = -61.1, r4 = -60.1, / # 122 ILE PHI: (121 TRP C)-(122 ILE N)-(122 ILE CA)-(122 ILE C) -112.3 -92.3 &rst iat = 1694, 1696, 1698, 1713, r1 = -113.3, r2 = -112.3, r3 = -92.3, r4 = -91.3, / # 123 GLY PHI: (122 ILE C)-(123 GLY N)-(123 GLY CA)-(123 GLY C) 62.1 112.1 &rst iat = 1713, 1715, 1717, 1720, r1 = 61.1, r2 = 62.1, r3 = 112.1, r4 = 113.1, / # 124 GLU PHI: (123 GLY C)-(124 GLU N)-(124 GLU CA)-(124 GLU C) -73.1 -53.1 &rst iat = 1720, 1722, 1724, 1735, r1 = -74.1, r2 = -73.1, r3 = -53.1, r4 = -52.1, / # 125 SER PHI: (124 GLU C)-(125 SER N)-(125 SER CA)-(125 SER C) -81.8 -61.8 &rst iat = 1735, 1737, 1739, 1746, r1 = -82.8, r2 = -81.8, r3 = -61.8, r4 = -60.8, / # 126 ALA PHI: (125 SER C)-(126 ALA N)-(126 ALA CA)-(126 ALA C) -74.2 -54.2 &rst iat = 1746, 1748, 1750, 1756, r1 = -75.2, r2 = -74.2, r3 = -54.2, r4 = -53.2, / # 127 LEU PHI: (126 ALA C)-(127 LEU N)-(127 LEU CA)-(127 LEU C) -79.0 -59.0 &rst iat = 1756, 1758, 1760, 1775, r1 = -80.0, r2 = -79.0, r3 = -59.0, r4 = -58.0, / # 128 GLU PHI: (127 LEU C)-(128 GLU N)-(128 GLU CA)-(128 GLU C) -76.6 -56.6 &rst iat = 1775, 1777, 1779, 1790, r1 = -77.6, r2 = -76.6, r3 = -56.6, r4 = -55.6, / # 129 GLU PHI: (128 GLU C)-(129 GLU N)-(129 GLU CA)-(129 GLU C) -71.6 -51.6 &rst iat = 1790, 1792, 1794, 1805, r1 = -72.6, r2 = -71.6, r3 = -51.6, r4 = -50.6, / # 130 LEU PHI: (129 GLU C)-(130 LEU N)-(130 LEU CA)-(130 LEU C) -76.4 -56.4 &rst iat = 1805, 1807, 1809, 1824, r1 = -77.4, r2 = -76.4, r3 = -56.4, r4 = -55.4, / # 102 CYS PHI: (130 LEU C)-(102 CYM N)-(102 CYM CA)-(102 CYM C) -81.0 -61.0 &rst iat = 1824, 1826, 1828, 1834, r1 = -82.0, r2 = -81.0, r3 = -61.0, r4 = -60.0, / # 132 ARG PHI: (102 CYM C)-(132 ARG N)-(132 ARG CA)-(132 ARG C) -92.1 -72.1 &rst iat = 1834, 1836, 1838, 1858, r1 = -93.1, r2 = -92.1, r3 = -72.1, r4 = -71.1, / # 133 LYS PHI: (132 ARG C)-(133 LYS N)-(133 LYS CA)-(133 LYS C) -89.7 -69.7 &rst iat = 1858, 1860, 1862, 1880, r1 = -90.7, r2 = -89.7, r3 = -69.7, r4 = -68.7, / # 134 THR PHI: (133 LYS C)-(134 THR N)-(134 THR CA)-(134 THR C) -166.4 -134.4 &rst iat = 1880, 1882, 1884, 1894, r1 = -167.4, r2 = -166.4, r3 = -134.4, r4 = -133.4, / # 135 LEU PHI: (134 THR C)-(135 LEU N)-(135 LEU CA)-(135 LEU C) -82.9 -62.9 &rst iat = 1894, 1896, 1898, 1913, r1 = -83.9, r2 = -82.9, r3 = -62.9, r4 = -61.9, / # 107 CYS PHI: (135 LEU C)-(107 CYM N)-(107 CYM CA)-(107 CYM C) -143.2 -113.2 &rst iat = 1913, 1915, 1917, 1923, r1 = -144.2, r2 = -143.2, r3 = -113.2, r4 = -112.2, / # 137 THR PHI: (107 CYM C)-(137 THR N)-(137 THR CA)-(137 THR C) -142.4 -118.4 &rst iat = 1923, 1925, 1927, 1937, r1 = -143.4, r2 = -142.4, r3 = -118.4, r4 = -117.4, / # 138 ASN PHI: (137 THR C)-(138 ASN N)-(138 ASN CA)-(138 ASN C) -89.2 -69.2 &rst iat = 1937, 1939, 1941, 1951, r1 = -90.2, r2 = -89.2, r3 = -69.2, r4 = -68.2, / # 139 THR PHI: (138 ASN C)-(139 THR N)-(139 THR CA)-(139 THR C) -111.1 -91.1 &rst iat = 1951, 1953, 1955, 1965, r1 = -112.1, r2 = -111.1, r3 = -91.1, r4 = -90.1, / # 140 VAL PHI: (139 THR C)-(140 VAL N)-(140 VAL CA)-(140 VAL C) -81.8 -51.8 &rst iat = 1965, 1967, 1969, 1981, r1 = -82.8, r2 = -81.8, r3 = -51.8, r4 = -50.8, / # 112 HIS PHI: (140 VAL C)-(141 HID N)-(141 HID CA)-(141 HID C) -111.4 -91.4 &rst iat = 1981, 1983, 1985, 1998, r1 = -112.4, r2 = -111.4, r3 = -91.4, r4 = -90.4, / # 142 GLY PHI: (141 HID C)-(142 GLY N)-(142 GLY CA)-(142 GLY C) 63.4 131.4 &rst iat = 1998, 2000, 2002, 2005, r1 = 62.4, r2 = 63.4, r3 = 131.4, r4 = 132.4, / # 143 GLY PHI: (142 GLY C)-(143 GLY N)-(143 GLY CA)-(143 GLY C) -109.3 -79.3 &rst iat = 2005, 2007, 2009, 2012, r1 = -110.3, r2 = -109.3, r3 = -79.3, r4 = -78.3, / # 144 ILE PHI: (143 GLY C)-(144 ILE N)-(144 ILE CA)-(144 ILE C) -155.4 -135.4 &rst iat = 2012, 2014, 2016, 2031, r1 = -156.4, r2 = -155.4, r3 = -135.4, r4 = -134.4, / # 116 HIS PHI: (144 ILE C)-(116 HIE N)-(116 HIE CA)-(116 HIE C) -111.7 -91.7 &rst iat = 2031, 2033, 2035, 2048, r1 = -112.7, r2 = -111.7, r3 = -91.7, r4 = -90.7, / # 146 ILE PHI: (116 HIE C)-(146 ILE N)-(146 ILE CA)-(146 ILE C) -127.3 -107.3 &rst iat = 2048, 2050, 2052, 2067, r1 = -128.3, r2 = -127.3, r3 = -107.3, r4 = -106.3, / # 147 TYR PHI: (146 ILE C)-(147 TYR N)-(147 TYR CA)-(147 TYR C) -103.7 -83.7 &rst iat = 2067, 2069, 2071, 2088, r1 = -104.7, r2 = -103.7, r3 = -83.7, r4 = -82.7, / # 148 VAL PHI: (147 TYR C)-(148 VAL N)-(148 VAL CA)-(148 VAL C) -149.7 -129.7 &rst iat = 2088, 2090, 2092, 2104, r1 = -150.7, r2 = -149.7, r3 = -129.7, r4 = -128.7, / # 149 LEU PHI: (148 VAL C)-(149 LEU N)-(149 LEU CA)-(149 LEU C) -113.7 -93.7 &rst iat = 2104, 2106, 2108, 2123, r1 = -114.7, r2 = -113.7, r3 = -93.7, r4 = -92.7, / # 150 SER PHI: (149 LEU C)-(150 SER N)-(150 SER CA)-(150 SER C) -164.8 -134.8 &rst iat = 2123, 2125, 2127, 2134, r1 = -165.8, r2 = -164.8, r3 = -134.8, r4 = -133.8, / # 151 ASN PHI: (150 SER C)-(151 ASN N)-(151 ASN CA)-(151 ASN C) -75.0 -55.0 &rst iat = 2134, 2136, 2138, 2148, r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0, / # 152 ASP PHI: (151 ASN C)-(152 ASP N)-(152 ASP CA)-(152 ASP C) -142.9 -112.9 &rst iat = 2148, 2150, 2152, 2160, r1 = -143.9, r2 = -142.9, r3 = -112.9, r4 = -111.9, / # 153 ILE PHI: (152 ASP C)-(153 ILE N)-(153 ILE CA)-(153 ILE C) -146.9 -126.9 &rst iat = 2160, 2162, 2164, 2179, r1 = -147.9, r2 = -146.9, r3 = -126.9, r4 = -125.9, / # 127 HIS PHI: (155 PRO C)-(127 HIE N)-(127 HIE CA)-(127 HIE C) -185.1 -143.1 &rst iat = 2207, 2209, 2211, 2224, r1 = -186.1, r2 = -185.1, r3 = -143.1, r4 = -142.1, / # 157 LYS PHI: (127 HIE C)-(157 LYS N)-(157 LYS CA)-(157 LYS C) -62.3 -42.3 &rst iat = 2224, 2226, 2228, 2246, r1 = -63.3, r2 = -62.3, r3 = -42.3, r4 = -41.3, / # 158 ILE PHI: (157 LYS C)-(158 ILE N)-(158 ILE CA)-(158 ILE C) -131.4 -111.4 &rst iat = 2246, 2248, 2250, 2265, r1 = -132.4, r2 = -131.4, r3 = -111.4, r4 = -110.4, / # 161 LEU PHI: (160 PRO C)-(161 LEU N)-(161 LEU CA)-(161 LEU C) -95.0 -68.0 &rst iat = 2293, 2295, 2297, 2312, r1 = -96.0, r2 = -95.0, r3 = -68.0, r4 = -67.0, / # 162 PHE PHI: (161 LEU C)-(162 PHE N)-(162 PHE CA)-(162 PHE C) -137.2 -117.2 &rst iat = 2312, 2314, 2316, 2332, r1 = -138.2, r2 = -137.2, r3 = -117.2, r4 = -116.2, / # 163 GLU PHI: (162 PHE C)-(163 GLU N)-(163 GLU CA)-(163 GLU C) -145.9 -95.0 &rst iat = 2332, 2334, 2336, 2347, r1 = -146.9, r2 = -145.9, r3 = -95.0, r4 = -94.0, / # 164 GLU PHI: (163 GLU C)-(164 GLU N)-(164 GLU CA)-(164 GLU C) -157.0 -137.0 &rst iat = 2347, 2349, 2351, 2362, r1 = -158.0, r2 = -157.0, r3 = -137.0, r4 = -136.0, / # 165 ASN PHI: (164 GLU C)-(165 ASN N)-(165 ASN CA)-(165 ASN C) 38.2 68.2 &rst iat = 2362, 2364, 2366, 2376, r1 = 37.2, r2 = 38.2, r3 = 68.2, r4 = 69.2, / # 166 GLY PHI: (165 ASN C)-(166 GLY N)-(166 GLY CA)-(166 GLY C) 71.6 91.6 &rst iat = 2376, 2378, 2380, 2383, r1 = 70.6, r2 = 71.6, r3 = 91.6, r4 = 92.6, / # 167 LYS PHI: (166 GLY C)-(167 LYS N)-(167 LYS CA)-(167 LYS C) -143.6 -111.6 &rst iat = 2383, 2385, 2387, 2405, r1 = -144.6, r2 = -143.6, r3 = -111.6, r4 = -110.6, / # 168 GLY PHI: (167 LYS C)-(168 GLY N)-(168 GLY CA)-(168 GLY C) -75.0 -55.0 &rst iat = 2405, 2407, 2409, 2412, r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0, / # 169 ILE PHI: (168 GLY C)-(169 ILE N)-(169 ILE CA)-(169 ILE C) -136.0 -116.0 &rst iat = 2412, 2414, 2416, 2431, r1 = -137.0, r2 = -136.0, r3 = -116.0, r4 = -115.0, / # 170 ILE PHI: (169 ILE C)-(170 ILE N)-(170 ILE CA)-(170 ILE C) -179.7 -139.7 &rst iat = 2431, 2433, 2435, 2450, r1 = -180.7, r2 = -179.7, r3 = -139.7, r4 = -138.7, / # 171 ASP PHI: (170 ILE C)-(171 ASP N)-(171 ASP CA)-(171 ASP C) -136.1 -93.1 &rst iat = 2450, 2452, 2454, 2462, r1 = -137.1, r2 = -136.1, r3 = -93.1, r4 = -92.1, / # 172 LEU PHI: (171 ASP C)-(172 LEU N)-(172 LEU CA)-(172 LEU C) -107.4 -87.4 &rst iat = 2462, 2464, 2466, 2481, r1 = -108.4, r2 = -107.4, r3 = -87.4, r4 = -86.4, / # 173 GLN PHI: (172 LEU C)-(173 GLN N)-(173 GLN CA)-(173 GLN C) -103.0 -83.0 &rst iat = 2481, 2483, 2485, 2498, r1 = -104.0, r2 = -103.0, r3 = -83.0, r4 = -82.0, / # 174 SER PHI: (173 GLN C)-(174 SER N)-(174 SER CA)-(174 SER C) -137.9 -105.9 &rst iat = 2498, 2500, 2502, 2509, r1 = -138.9, r2 = -137.9, r3 = -105.9, r4 = -104.9, / # 175 TYR PHI: (174 SER C)-(175 TYR N)-(175 TYR CA)-(175 TYR C) -76.0 -46.0 &rst iat = 2509, 2511, 2513, 2530, r1 = -77.0, r2 = -76.0, r3 = -46.0, r4 = -45.0, / # 176 ASN PHI: (175 TYR C)-(176 ASN N)-(176 ASN CA)-(176 ASN C) 56.1 76.1 &rst iat = 2530, 2532, 2534, 2544, r1 = 55.1, r2 = 56.1, r3 = 76.1, r4 = 77.1, / # 177 SER PHI: (176 ASN C)-(177 SER N)-(177 SER CA)-(177 SER C) -166.2 -146.2 &rst iat = 2544, 2546, 2548, 2555, r1 = -167.2, r2 = -166.2, r3 = -146.2, r4 = -145.2, / # 178 TYR PHI: (177 SER C)-(178 TYR N)-(178 TYR CA)-(178 TYR C) -159.2 -139.2 &rst iat = 2555, 2557, 2559, 2576, r1 = -160.2, r2 = -159.2, r3 = -139.2, r4 = -138.2, / # 179 VAL PHI: (178 TYR C)-(179 VAL N)-(179 VAL CA)-(179 VAL C) -140.8 -110.8 &rst iat = 2576, 2578, 2580, 2592, r1 = -141.8, r2 = -140.8, r3 = -110.8, r4 = -109.8, / # 180 LEU PHI: (179 VAL C)-(180 LEU N)-(180 LEU CA)-(180 LEU C) -79.9 -47.9 &rst iat = 2592, 2594, 2596, 2611, r1 = -80.9, r2 = -79.9, r3 = -47.9, r4 = -46.9, / # 181 GLY PHI: (180 LEU C)-(181 GLY N)-(181 GLY CA)-(181 GLY C) -94.6 -74.6 &rst iat = 2611, 2613, 2615, 2618, r1 = -95.6, r2 = -94.6, r3 = -74.6, r4 = -73.6, / # 182 LEU PHI: (181 GLY C)-(182 LEU N)-(182 LEU CA)-(182 LEU C) -64.8 -28.8 &rst iat = 2618, 2620, 2622, 2637, r1 = -65.8, r2 = -64.8, r3 = -28.8, r4 = -27.8, / # 183 GLY PHI: (182 LEU C)-(183 GLY N)-(183 GLY CA)-(183 GLY C) 82.9 113.9 &rst iat = 2637, 2639, 2641, 2644, r1 = 81.9, r2 = 82.9, r3 = 113.9, r4 = 114.9, / # 184 SER PHI: (183 GLY C)-(184 SER N)-(184 SER CA)-(184 SER C) -82.1 -60.1 &rst iat = 2644, 2646, 2648, 2655, r1 = -83.1, r2 = -82.1, r3 = -60.1, r4 = -59.1, / # 156 CYS PHI: (184 SER C)-(185 CYX N)-(185 CYX CA)-(185 CYX C) -146.1 -116.1 &rst iat = 2655, 2657, 2659, 2665, r1 = -147.1, r2 = -146.1, r3 = -116.1, r4 = -115.1, / # 186 VAL PHI: (185 CYX C)-(186 VAL N)-(186 VAL CA)-(186 VAL C) -146.8 -126.8 &rst iat = 2665, 2667, 2669, 2681, r1 = -147.8, r2 = -146.8, r3 = -126.8, r4 = -125.8, / # 187 ASN PHI: (186 VAL C)-(187 ASN N)-(187 ASN CA)-(187 ASN C) -99.3 -79.3 &rst iat = 2681, 2683, 2685, 2695, r1 = -100.3, r2 = -99.3, r3 = -79.3, r4 = -78.3, / # 159 HIS PHI: (187 ASN C)-(159 HIE N)-(159 HIE CA)-(159 HIE C) -77.2 -57.2 &rst iat = 2695, 2697, 2699, 2712, r1 = -78.2, r2 = -77.2, r3 = -57.2, r4 = -56.2, / # 189 LEU PHI: (159 HIE C)-(189 LEU N)-(189 LEU CA)-(189 LEU C) -64.8 -44.8 &rst iat = 2712, 2714, 2716, 2731, r1 = -65.8, r2 = -64.8, r3 = -44.8, r4 = -43.8, / # 161 HIS PHI: (189 LEU C)-(190 HID N)-(190 HID CA)-(190 HID C) -110.2 -80.2 &rst iat = 2731, 2733, 2735, 2748, r1 = -111.2, r2 = -110.2, r3 = -80.2, r4 = -79.2, / # 162 CYS PHI: (190 HID C)-(162 CYM N)-(162 CYM CA)-(162 CYM C) -97.6 -57.6 &rst iat = 2748, 2750, 2752, 2758, r1 = -98.6, r2 = -97.6, r3 = -57.6, r4 = -56.6, / # 192 THR PHI: (162 CYM C)-(192 THR N)-(192 THR CA)-(192 THR C) -125.2 -100.2 &rst iat = 2758, 2760, 2762, 2772, r1 = -126.2, r2 = -125.2, r3 = -100.2, r4 = -99.2, / # 193 THR PHI: (192 THR C)-(193 THR N)-(193 THR CA)-(193 THR C) -76.2 -46.2 &rst iat = 2772, 2774, 2776, 2786, r1 = -77.2, r2 = -76.2, r3 = -46.2, r4 = -45.2, / # 194 ASP PHI: (193 THR C)-(194 ASP N)-(194 ASP CA)-(194 ASP C) -100.5 -70.5 &rst iat = 2786, 2788, 2790, 2798, r1 = -101.5, r2 = -100.5, r3 = -70.5, r4 = -69.5, / # 195 LYS PHI: (194 ASP C)-(195 LYS N)-(195 LYS CA)-(195 LYS C) -80.8 -60.8 &rst iat = 2798, 2800, 2802, 2820, r1 = -81.8, r2 = -80.8, r3 = -60.8, r4 = -59.8, / # 167 CYS PHI: (195 LYS C)-(167 CYM N)-(167 CYM CA)-(167 CYM C) -99.8 -70.8 &rst iat = 2820, 2822, 2824, 2830, r1 = -100.8, r2 = -99.8, r3 = -70.8, r4 = -69.8, / # 198 TRP PHI: (197 PRO C)-(198 TRP N)-(198 TRP CA)-(198 TRP C) -131.8 -111.8 &rst iat = 2844, 2846, 2848, 2868, r1 = -132.8, r2 = -131.8, r3 = -111.8, r4 = -110.8, / # 199 LYS PHI: (198 TRP C)-(199 LYS N)-(199 LYS CA)-(199 LYS C) -62.0 -42.0 &rst iat = 2868, 2870, 2872, 2890, r1 = -63.0, r2 = -62.0, r3 = -42.0, r4 = -41.0, / # 200 GLU PHI: (199 LYS C)-(200 GLU N)-(200 GLU CA)-(200 GLU C) 60.2 80.2 &rst iat = 2890, 2892, 2894, 2905, r1 = 59.2, r2 = 60.2, r3 = 80.2, r4 = 81.2, / # 201 GLN PHI: (200 GLU C)-(201 GLN N)-(201 GLN CA)-(201 GLN C) -117.3 -82.3 &rst iat = 2905, 2907, 2909, 2922, r1 = -118.3, r2 = -117.3, r3 = -82.3, r4 = -81.3, / # 202 ASN PHI: (201 GLN C)-(202 ASN N)-(202 ASN CA)-(202 ASN C) -86.1 -66.1 &rst iat = 2922, 2924, 2926, 2936, r1 = -87.1, r2 = -86.1, r3 = -66.1, r4 = -65.1, / # 203 TYR PHI: (202 ASN C)-(203 TYR N)-(203 TYR CA)-(203 TYR C) -161.8 -130.0 &rst iat = 2936, 2938, 2940, 2957, r1 = -162.8, r2 = -161.8, r3 = -130.0, r4 = -129.0, / # 204 THR PHI: (203 TYR C)-(204 THR N)-(204 THR CA)-(204 THR C) -129.1 -105.1 &rst iat = 2957, 2959, 2961, 2971, r1 = -130.1, r2 = -129.1, r3 = -105.1, r4 = -104.1, / # 205 THR PHI: (204 THR C)-(205 THR N)-(205 THR CA)-(205 THR C) -137.5 -117.5 &rst iat = 2971, 2973, 2975, 2985, r1 = -138.5, r2 = -137.5, r3 = -117.5, r4 = -116.5, / # 177 CYS PHI: (205 THR C)-(206 CYX N)-(206 CYX CA)-(206 CYX C) -143.7 -123.7 &rst iat = 2985, 2987, 2989, 2995, r1 = -144.7, r2 = -143.7, r3 = -123.7, r4 = -122.7, / # 207 TYR PHI: (206 CYX C)-(207 TYR N)-(207 TYR CA)-(207 TYR C) -88.9 -68.9 &rst iat = 2995, 2997, 2999, 3016, r1 = -89.9, r2 = -88.9, r3 = -68.9, r4 = -67.9, / # 208 THR PHI: (207 TYR C)-(208 THR N)-(208 THR CA)-(208 THR C) -159.3 -127.3 &rst iat = 3016, 3018, 3020, 3030, r1 = -160.3, r2 = -159.3, r3 = -127.3, r4 = -126.3, / # 209 LEU PHI: (208 THR C)-(209 LEU N)-(209 LEU CA)-(209 LEU C) -73.0 -53.0 &rst iat = 3030, 3032, 3034, 3049, r1 = -74.0, r2 = -73.0, r3 = -53.0, r4 = -52.0, / # 210 TYR PHI: (209 LEU C)-(210 TYR N)-(210 TYR CA)-(210 TYR C) -83.8 -63.8 &rst iat = 3049, 3051, 3053, 3070, r1 = -84.8, r2 = -83.8, r3 = -63.8, r4 = -62.8, / # 211 ASN PHI: (210 TYR C)-(211 ASN N)-(211 ASN CA)-(211 ASN C) -150.5 -126.5 &rst iat = 3070, 3072, 3074, 3084, r1 = -151.5, r2 = -150.5, r3 = -126.5, r4 = -125.5, / # 212 GLU PHI: (211 ASN C)-(212 GLU N)-(212 GLU CA)-(212 GLU C) -148.7 -105.7 &rst iat = 3084, 3086, 3088, 3099, r1 = -149.7, r2 = -148.7, r3 = -105.7, r4 = -104.7, / # 213 LEU PHI: (212 GLU C)-(213 LEU N)-(213 LEU CA)-(213 LEU C) -79.4 -59.4 &rst iat = 3099, 3101, 3103, 3118, r1 = -80.4, r2 = -79.4, r3 = -59.4, r4 = -58.4, / # 214 LYS PHI: (213 LEU C)-(214 LYS N)-(214 LYS CA)-(214 LYS C) -148.4 -128.4 &rst iat = 3118, 3120, 3122, 3140, r1 = -149.4, r2 = -148.4, r3 = -128.4, r4 = -127.4, / # 215 GLU PHI: (214 LYS C)-(215 GLU N)-(215 GLU CA)-(215 GLU C) -85.4 -52.4 &rst iat = 3140, 3142, 3144, 3155, r1 = -86.4, r2 = -85.4, r3 = -52.4, r4 = -51.4, / # 216 ILE PHI: (215 GLU C)-(216 ILE N)-(216 ILE CA)-(216 ILE C) -81.5 -61.5 &rst iat = 3155, 3157, 3159, 3174, r1 = -82.5, r2 = -81.5, r3 = -61.5, r4 = -60.5, / # 217 SER PHI: (216 ILE C)-(217 SER N)-(217 SER CA)-(217 SER C) -116.2 -85.2 &rst iat = 3174, 3176, 3178, 3185, r1 = -117.2, r2 = -116.2, r3 = -85.2, r4 = -84.2, / # 218 LYS PHI: (217 SER C)-(218 LYS N)-(218 LYS CA)-(218 LYS C) -90.9 -70.9 &rst iat = 3185, 3187, 3189, 3207, r1 = -91.9, r2 = -90.9, r3 = -70.9, r4 = -69.9, / # 219 VAL PHI: (218 LYS C)-(219 VAL N)-(219 VAL CA)-(219 VAL C) -144.5 -124.5 &rst iat = 3207, 3209, 3211, 3223, r1 = -145.5, r2 = -144.5, r3 = -124.5, r4 = -123.5, / # 220 ASP PHI: (219 VAL C)-(220 ASP N)-(220 ASP CA)-(220 ASP C) -92.4 -72.4 &rst iat = 3223, 3225, 3227, 3235, r1 = -93.4, r2 = -92.4, r3 = -72.4, r4 = -71.4, / # 221 LEU PHI: (220 ASP C)-(221 LEU N)-(221 LEU CA)-(221 LEU C) -89.4 -50.4 &rst iat = 3235, 3237, 3239, 3254, r1 = -90.4, r2 = -89.4, r3 = -50.4, r4 = -49.4, / # 222 LYS PHI: (221 LEU C)-(222 LYS N)-(222 LYS CA)-(222 LYS C) -71.1 -51.1 &rst iat = 3254, 3256, 3258, 3276, r1 = -72.1, r2 = -71.1, r3 = -51.1, r4 = -50.1, / # 223 SER PHI: (222 LYS C)-(223 SER N)-(223 SER CA)-(223 SER C) -80.4 -60.4 &rst iat = 3276, 3278, 3280, 3287, r1 = -81.4, r2 = -80.4, r3 = -60.4, r4 = -59.4, / # 224 LEU PHI: (223 SER C)-(224 LEU N)-(224 LEU CA)-(224 LEU C) -73.1 -53.1 &rst iat = 3287, 3289, 3291, 3306, r1 = -74.1, r2 = -73.1, r3 = -53.1, r4 = -52.1, / # 225 LEU PHI: (224 LEU C)-(225 LEU N)-(225 LEU CA)-(225 LEU C) -72.9 -52.9 &rst iat = 3306, 3308, 3310, 3325, r1 = -73.9, r2 = -72.9, r3 = -52.9, r4 = -51.9, / # 226 ARG PHI: (225 LEU C)-(226 ARG N)-(226 ARG CA)-(226 ARG C) -76.8 -56.8 &rst iat = 3325, 3327, 3329, 3349, r1 = -77.8, r2 = -76.8, r3 = -56.8, r4 = -55.8, / # 227 PHE PHI: (226 ARG C)-(227 PHE N)-(227 PHE CA)-(227 PHE C) -75.8 -55.8 &rst iat = 3349, 3351, 3353, 3369, r1 = -76.8, r2 = -75.8, r3 = -55.8, r4 = -54.8, / # 228 LEU PHI: (227 PHE C)-(228 LEU N)-(228 LEU CA)-(228 LEU C) -67.0 -45.0 &rst iat = 3369, 3371, 3373, 3388, r1 = -68.0, r2 = -67.0, r3 = -45.0, r4 = -44.0, / # 229 ALA PHI: (228 LEU C)-(229 ALA N)-(229 ALA CA)-(229 ALA C) -75.4 -55.4 &rst iat = 3388, 3390, 3392, 3398, r1 = -76.4, r2 = -75.4, r3 = -55.4, r4 = -54.4, / # 230 GLU PHI: (229 ALA C)-(230 GLU N)-(230 GLU CA)-(230 GLU C) -72.8 -52.8 &rst iat = 3398, 3400, 3402, 3413, r1 = -73.8, r2 = -72.8, r3 = -52.8, r4 = -51.8, / # 231 LYS PHI: (230 GLU C)-(231 LYS N)-(231 LYS CA)-(231 LYS C) -74.7 -54.7 &rst iat = 3413, 3415, 3417, 3435, r1 = -75.7, r2 = -74.7, r3 = -54.7, r4 = -53.7, / # 232 GLY PHI: (231 LYS C)-(232 GLY N)-(232 GLY CA)-(232 GLY C) -84.3 -64.3 &rst iat = 3435, 3437, 3439, 3442, r1 = -85.3, r2 = -84.3, r3 = -64.3, r4 = -63.3, / # 233 LYS PHI: (232 GLY C)-(233 LYS N)-(233 LYS CA)-(233 LYS C) -63.9 -43.9 &rst iat = 3442, 3444, 3446, 3464, r1 = -64.9, r2 = -63.9, r3 = -43.9, r4 = -42.9, / # 234 ARG PHI: (233 LYS C)-(234 ARG N)-(234 ARG CA)-(234 ARG C) -77.1 -57.1 &rst iat = 3464, 3466, 3468, 3488, r1 = -78.1, r2 = -77.1, r3 = -57.1, r4 = -56.1, / # 235 LEU PHI: (234 ARG C)-(235 LEU N)-(235 LEU CA)-(235 LEU C) -113.4 -93.4 &rst iat = 3488, 3490, 3492, 3507, r1 = -114.4, r2 = -113.4, r3 = -93.4, r4 = -92.4, / # 236 GLY PHI: (235 LEU C)-(236 GLY N)-(236 GLY CA)-(236 GLY C) 52.3 72.3 &rst iat = 3507, 3509, 3511, 3514, r1 = 51.3, r2 = 52.3, r3 = 72.3, r4 = 73.3, / # 237 ILE PHI: (236 GLY C)-(237 ILE N)-(237 ILE CA)-(237 ILE C) -104.1 -84.1 &rst iat = 3514, 3516, 3518, 3533, r1 = -105.1, r2 = -104.1, r3 = -84.1, r4 = -83.1, / # 238 THR PHI: (237 ILE C)-(238 THR N)-(238 THR CA)-(238 THR C) -139.4 -119.4 &rst iat = 3533, 3535, 3537, 3547, r1 = -140.4, r2 = -139.4, r3 = -119.4, r4 = -118.4, / # 239 LEU PHI: (238 THR C)-(239 LEU N)-(239 LEU CA)-(239 LEU C) -79.2 -47.2 &rst iat = 3547, 3549, 3551, 3566, r1 = -80.2, r2 = -79.2, r3 = -47.2, r4 = -46.2, / # 240 SER PHI: (239 LEU C)-(240 SER N)-(240 SER CA)-(240 SER C) -80.7 -60.7 &rst iat = 3566, 3568, 3570, 3577, r1 = -81.7, r2 = -80.7, r3 = -60.7, r4 = -59.7, / # 241 LYS PHI: (240 SER C)-(241 LYS N)-(241 LYS CA)-(241 LYS C) -70.2 -40.2 &rst iat = 3577, 3579, 3581, 3599, r1 = -71.2, r2 = -70.2, r3 = -40.2, r4 = -39.2, / # 242 THR PHI: (241 LYS C)-(242 THR N)-(242 THR CA)-(242 THR C) -73.4 -53.4 &rst iat = 3599, 3601, 3603, 3613, r1 = -74.4, r2 = -73.4, r3 = -53.4, r4 = -52.4, / # 243 ALA PHI: (242 THR C)-(243 ALA N)-(243 ALA CA)-(243 ALA C) -73.5 -53.5 &rst iat = 3613, 3615, 3617, 3623, r1 = -74.5, r2 = -73.5, r3 = -53.5, r4 = -52.5, / # 244 LYS PHI: (243 ALA C)-(244 LYS N)-(244 LYS CA)-(244 LYS C) -69.3 -49.3 &rst iat = 3623, 3625, 3627, 3645, r1 = -70.3, r2 = -69.3, r3 = -49.3, r4 = -48.3, / # 245 GLU PHI: (244 LYS C)-(245 GLU N)-(245 GLU CA)-(245 GLU C) -83.6 -63.6 &rst iat = 3645, 3647, 3649, 3660, r1 = -84.6, r2 = -83.6, r3 = -63.6, r4 = -62.6, / # 246 TRP PHI: (245 GLU C)-(246 TRP N)-(246 TRP CA)-(246 TRP C) -76.2 -49.2 &rst iat = 3660, 3662, 3664, 3684, r1 = -77.2, r2 = -76.2, r3 = -49.2, r4 = -48.2, / # 247 LEU PHI: (246 TRP C)-(247 LEU N)-(247 LEU CA)-(247 LEU C) -77.8 -54.8 &rst iat = 3684, 3686, 3688, 3703, r1 = -78.8, r2 = -77.8, r3 = -54.8, r4 = -53.8, / # 248 GLU PHI: (247 LEU C)-(248 GLU N)-(248 GLU CA)-(248 GLU C) -128.4 -87.4 &rst iat = 3703, 3705, 3707, 3718, r1 = -129.4, r2 = -128.4, r3 = -87.4, r4 = -86.4, / # 261 GLU PSI: (261 GLU N)-(261 GLU CA)-(261 GLU C)-(262 GLU N) -57.6 -17.6 &rst iat = 3909, 3911, 3922, 3924, r1 = -58.6, r2 = -57.6, r3 = -17.6, r4 = -16.6, / # 262 GLU PSI: (262 GLU N)-(262 GLU CA)-(262 GLU C)-(263 LEU N) -63.2 -23.2 &rst iat = 3924, 3926, 3937, 3939, r1 = -64.2, r2 = -63.2, r3 = -23.2, r4 = -22.2, / # 263 LEU PSI: (263 LEU N)-(263 LEU CA)-(263 LEU C)-(264 ARG N) -56.0 -16.0 &rst iat = 3939, 3941, 3956, 3958, r1 = -57.0, r2 = -56.0, r3 = -16.0, r4 = -15.0, / # 264 ARG PSI: (264 ARG N)-(264 ARG CA)-(264 ARG C)-(265 LYS N) -62.5 -19.5 &rst iat = 3958, 3960, 3980, 3982, r1 = -63.5, r2 = -62.5, r3 = -19.5, r4 = -18.5, / # 265 LYS PSI: (265 LYS N)-(265 LYS CA)-(265 LYS C)-(266 GLU N) -59.4 -19.4 &rst iat = 3982, 3984, 4002, 4004, r1 = -60.4, r2 = -59.4, r3 = -19.4, r4 = -18.4, / # 266 GLU PSI: (266 GLU N)-(266 GLU CA)-(266 GLU C)-(267 LEU N) -62.6 -22.6 &rst iat = 4004, 4006, 4017, 4019, r1 = -63.6, r2 = -62.6, r3 = -22.6, r4 = -21.6, / # 267 LEU PSI: (267 LEU N)-(267 LEU CA)-(267 LEU C)-(268 VAL N) -60.8 -20.8 &rst iat = 4019, 4021, 4036, 4038, r1 = -61.8, r2 = -60.8, r3 = -20.8, r4 = -19.8, / # 268 VAL PSI: (268 VAL N)-(268 VAL CA)-(268 VAL C)-(269 LYS N) -66.5 -21.5 &rst iat = 4038, 4040, 4052, 4054, r1 = -67.5, r2 = -66.5, r3 = -21.5, r4 = -20.5, / # 269 LYS PSI: (269 LYS N)-(269 LYS CA)-(269 LYS C)-(270 ARG N) -52.9 -12.9 &rst iat = 4054, 4056, 4074, 4076, r1 = -53.9, r2 = -52.9, r3 = -12.9, r4 = -11.9, / # 270 ARG PSI: (270 ARG N)-(270 ARG CA)-(270 ARG C)-(271 ASP N) -27.0 13.0 &rst iat = 4076, 4078, 4098, 4100, r1 = -28.0, r2 = -27.0, r3 = 13.0, r4 = 14.0, / # 271 ASP PSI: (271 ASP N)-(271 ASP CA)-(271 ASP C)-(272 SER N) 116.2 156.2 &rst iat = 4100, 4102, 4110, 4112, r1 = 115.2, r2 = 116.2, r3 = 156.2, r4 = 157.2, / # 272 SER PSI: (272 SER N)-(272 SER CA)-(272 SER C)-(273 GLY N) -47.9 -7.9 &rst iat = 4112, 4114, 4121, 4123, r1 = -48.9, r2 = -47.9, r3 = -7.9, r4 = -6.9, / # 273 GLY PSI: (273 GLY N)-(273 GLY CA)-(273 GLY C)-(274 LYS N) -34.7 11.3 &rst iat = 4123, 4125, 4128, 4130, r1 = -35.7, r2 = -34.7, r3 = 11.3, r4 = 12.3, / # 274 LYS PSI: (274 LYS N)-(274 LYS CA)-(274 LYS C)-(275 PRO N) 93.8 143.8 &rst iat = 4130, 4132, 4150, 4152, r1 = 92.8, r2 = 93.8, r3 = 143.8, r4 = 144.8, / # 275 PRO PSI: (275 PRO N)-(275 PRO CA)-(275 PRO C)-(276 VAL N) 126.6 166.6 &rst iat = 4152, 4162, 4164, 4166, r1 = 125.6, r2 = 126.6, r3 = 166.6, r4 = 167.6, / # 276 VAL PSI: (276 VAL N)-(276 VAL CA)-(276 VAL C)-(277 GLU N) -64.0 -24.0 &rst iat = 4166, 4168, 4180, 4182, r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0, / # 277 GLU PSI: (277 GLU N)-(277 GLU CA)-(277 GLU C)-(278 LYS N) -56.9 -16.9 &rst iat = 4182, 4184, 4195, 4197, r1 = -57.9, r2 = -56.9, r3 = -16.9, r4 = -15.9, / # 278 LYS PSI: (278 LYS N)-(278 LYS CA)-(278 LYS C)-(279 ILE N) -54.7 -14.7 &rst iat = 4197, 4199, 4217, 4219, r1 = -55.7, r2 = -54.7, r3 = -14.7, r4 = -13.7, / # 279 ILE PSI: (279 ILE N)-(279 ILE CA)-(279 ILE C)-(280 LYS N) -61.7 -21.7 &rst iat = 4219, 4221, 4236, 4238, r1 = -62.7, r2 = -61.7, r3 = -21.7, r4 = -20.7, / # 280 LYS PSI: (280 LYS N)-(280 LYS CA)-(280 LYS C)-(281 GLU N) -60.3 -20.3 &rst iat = 4238, 4240, 4258, 4260, r1 = -61.3, r2 = -60.3, r3 = -20.3, r4 = -19.3, / # 281 GLU PSI: (281 GLU N)-(281 GLU CA)-(281 GLU C)-(282 GLU N) -62.0 -22.0 &rst iat = 4260, 4262, 4273, 4275, r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0, / # 282 GLU PSI: (282 GLU N)-(282 GLU CA)-(282 GLU C)-(283 ILE N) -61.8 -18.8 &rst iat = 4275, 4277, 4288, 4290, r1 = -62.8, r2 = -61.8, r3 = -18.8, r4 = -17.8, / # 283 ILE PSI: (283 ILE N)-(283 ILE CA)-(283 ILE C)-(284 CYX N) -61.4 -21.4 &rst iat = 4290, 4292, 4307, 4309, r1 = -62.4, r2 = -61.4, r3 = -21.4, r4 = -20.4, / # 255 CYS PSI: (284 CYX N)-(284 CYX CA)-(284 CYX C)-(285 THR N) -35.6 4.4 &rst iat = 4309, 4311, 4317, 4319, r1 = -36.6, r2 = -35.6, r3 = 4.4, r4 = 5.4, / # 285 THR PSI: (285 THR N)-(285 THR CA)-(285 THR C)-(286 LYS N) -40.5 -0.0 &rst iat = 4319, 4321, 4331, 4333, r1 = -41.5, r2 = -40.5, r3 = -0.0, r4 = 1.0, / # 287 SER PSI: (287 SER N)-(287 SER CA)-(287 SER C)-(288 PRO N) 69.0 155.0 &rst iat = 4355, 4357, 4364, 4366, r1 = 68.0, r2 = 69.0, r3 = 155.0, r4 = 156.0, / # 288 PRO PSI: (288 PRO N)-(288 PRO CA)-(288 PRO C)-(289 PRO N) 128.1 168.1 &rst iat = 4366, 4376, 4378, 4380, r1 = 127.1, r2 = 128.1, r3 = 168.1, r4 = 169.1, / # 292 ILE PSI: (292 ILE N)-(292 ILE CA)-(292 ILE C)-(293 LYS N) -57.1 -17.1 &rst iat = 4435, 4437, 4452, 4454, r1 = -58.1, r2 = -57.1, r3 = -17.1, r4 = -16.1, / # 293 LYS PSI: (293 LYS N)-(293 LYS CA)-(293 LYS C)-(294 GLU N) -64.3 -24.3 &rst iat = 4454, 4456, 4474, 4476, r1 = -65.3, r2 = -64.3, r3 = -24.3, r4 = -23.3, / # 294 GLU PSI: (294 GLU N)-(294 GLU CA)-(294 GLU C)-(295 ILE N) -69.2 -10.2 &rst iat = 4476, 4478, 4489, 4491, r1 = -70.2, r2 = -69.2, r3 = -10.2, r4 = -9.2, / # 295 ILE PSI: (295 ILE N)-(295 ILE CA)-(295 ILE C)-(296 ILE N) -51.7 -8.7 &rst iat = 4491, 4493, 4508, 4510, r1 = -52.7, r2 = -51.7, r3 = -8.7, r4 = -7.7, / # 296 ILE PSI: (296 ILE N)-(296 ILE CA)-(296 ILE C)-(297 CYX N) -46.3 -3.3 &rst iat = 4510, 4512, 4527, 4529, r1 = -47.3, r2 = -46.3, r3 = -3.3, r4 = -2.3, / # 268 CYS PSI: (297 CYX N)-(297 CYX CA)-(297 CYX C)-(298 GLU N) -39.3 6.7 &rst iat = 4529, 4531, 4537, 4539, r1 = -40.3, r2 = -39.3, r3 = 6.7, r4 = 7.7, / # 298 GLU PSI: (298 GLU N)-(298 GLU CA)-(298 GLU C)-(299 ASN N) -11.1 28.9 &rst iat = 4539, 4541, 4552, 4554, r1 = -12.1, r2 = -11.1, r3 = 28.9, r4 = 29.9, / # 300 LYS PSI: (300 LYS N)-(300 LYS CA)-(300 LYS C)-(301 THR N) 122.3 169.3 &rst iat = 4568, 4570, 4588, 4590, r1 = 121.3, r2 = 122.3, r3 = 169.3, r4 = 170.3, / # 301 THR PSI: (301 THR N)-(301 THR CA)-(301 THR C)-(302 TYR N) 141.8 181.8 &rst iat = 4590, 4592, 4602, 4604, r1 = 140.8, r2 = 141.8, r3 = 181.8, r4 = 182.8, / # 302 TYR PSI: (302 TYR N)-(302 TYR CA)-(302 TYR C)-(303 ALA N) -52.0 -12.0 &rst iat = 4604, 4606, 4623, 4625, r1 = -53.0, r2 = -52.0, r3 = -12.0, r4 = -11.0, / # 303 ALA PSI: (303 ALA N)-(303 ALA CA)-(303 ALA C)-(304 ASP N) -63.3 -23.3 &rst iat = 4625, 4627, 4633, 4635, r1 = -64.3, r2 = -63.3, r3 = -23.3, r4 = -22.3, / # 304 ASP PSI: (304 ASP N)-(304 ASP CA)-(304 ASP C)-(305 VAL N) -48.3 -8.3 &rst iat = 4635, 4637, 4645, 4647, r1 = -49.3, r2 = -48.3, r3 = -8.3, r4 = -7.3, / # 305 VAL PSI: (305 VAL N)-(305 VAL CA)-(305 VAL C)-(306 ASN N) -10.5 29.5 &rst iat = 4647, 4649, 4661, 4663, r1 = -11.5, r2 = -10.5, r3 = 29.5, r4 = 30.5, / # 307 ILE PSI: (307 ILE N)-(307 ILE CA)-(307 ILE C)-(308 ASP N) 130.1 170.1 &rst iat = 4677, 4679, 4694, 4696, r1 = 129.1, r2 = 130.1, r3 = 170.1, r4 = 171.1, / # 308 ASP PSI: (308 ASP N)-(308 ASP CA)-(308 ASP C)-(309 ARG N) 90.7 155.7 &rst iat = 4696, 4698, 4706, 4708, r1 = 89.7, r2 = 90.7, r3 = 155.7, r4 = 156.7, / # 309 ARG PSI: (309 ARG N)-(309 ARG CA)-(309 ARG C)-(310 SER N) -45.2 -5.2 &rst iat = 4708, 4710, 4730, 4732, r1 = -46.2, r2 = -45.2, r3 = -5.2, r4 = -4.2, / # 310 SER PSI: (310 SER N)-(310 SER CA)-(310 SER C)-(311 ARG N) -58.8 -18.8 &rst iat = 4732, 4734, 4741, 4743, r1 = -59.8, r2 = -58.8, r3 = -18.8, r4 = -17.8, / # 311 ARG PSI: (311 ARG N)-(311 ARG CA)-(311 ARG C)-(312 GLY N) -63.9 -23.9 &rst iat = 4743, 4745, 4765, 4767, r1 = -64.9, r2 = -63.9, r3 = -23.9, r4 = -22.9, / # 312 GLY PSI: (312 GLY N)-(312 GLY CA)-(312 GLY C)-(313 ASP N) -61.1 -20.1 &rst iat = 4767, 4769, 4772, 4774, r1 = -62.1, r2 = -61.1, r3 = -20.1, r4 = -19.1, / # 313 ASP PSI: (313 ASP N)-(313 ASP CA)-(313 ASP C)-(314 TRP N) -60.6 -20.6 &rst iat = 4774, 4776, 4784, 4786, r1 = -61.6, r2 = -60.6, r3 = -20.6, r4 = -19.6, / # 314 TRP PSI: (314 TRP N)-(314 TRP CA)-(314 TRP C)-(286 HIE N) -63.0 -23.0 &rst iat = 4786, 4788, 4808, 4810, r1 = -64.0, r2 = -63.0, r3 = -23.0, r4 = -22.0, / # 286 HIS PSI: (286 HIE N)-(286 HIE CA)-(286 HIE C)-(316 VAL N) -69.0 -25.0 &rst iat = 4810, 4812, 4825, 4827, r1 = -70.0, r2 = -69.0, r3 = -25.0, r4 = -24.0, / # 316 VAL PSI: (316 VAL N)-(316 VAL CA)-(316 VAL C)-(317 ILE N) -64.4 -24.4 &rst iat = 4827, 4829, 4841, 4843, r1 = -65.4, r2 = -64.4, r3 = -24.4, r4 = -23.4, / # 317 ILE PSI: (317 ILE N)-(317 ILE CA)-(317 ILE C)-(318 LEU N) -62.2 -22.2 &rst iat = 4843, 4845, 4860, 4862, r1 = -63.2, r2 = -62.2, r3 = -22.2, r4 = -21.2, / # 318 LEU PSI: (318 LEU N)-(318 LEU CA)-(318 LEU C)-(319 TYR N) -62.7 -22.7 &rst iat = 4862, 4864, 4879, 4881, r1 = -63.7, r2 = -62.7, r3 = -22.7, r4 = -21.7, / # 319 TYR PSI: (319 TYR N)-(319 TYR CA)-(319 TYR C)-(320 LEU N) -65.8 -25.8 &rst iat = 4881, 4883, 4900, 4902, r1 = -66.8, r2 = -65.8, r3 = -25.8, r4 = -24.8, / # 320 LEU PSI: (320 LEU N)-(320 LEU CA)-(320 LEU C)-(321 MET N) -57.8 -17.8 &rst iat = 4902, 4904, 4919, 4921, r1 = -58.8, r2 = -57.8, r3 = -17.8, r4 = -16.8, / # 321 MET PSI: (321 MET N)-(321 MET CA)-(321 MET C)-(322 LYS N) -64.9 -21.9 &rst iat = 4921, 4923, 4936, 4938, r1 = -65.9, r2 = -64.9, r3 = -21.9, r4 = -20.9, / # 322 LYS PSI: (322 LYS N)-(322 LYS CA)-(322 LYS C)-(323 HID N) -61.7 -21.7 &rst iat = 4938, 4940, 4958, 4960, r1 = -62.7, r2 = -61.7, r3 = -21.7, r4 = -20.7, / # 294 HIS PSI: (323 HID N)-(323 HID CA)-(323 HID C)-(324 GLY N) -43.1 3.1 &rst iat = 4960, 4962, 4975, 4977, r1 = -44.1, r2 = -43.1, r3 = 3.1, r4 = 4.1, / # 325 VAL PSI: (325 VAL N)-(325 VAL CA)-(325 VAL C)-(326 THR N) 61.5 133.5 &rst iat = 4984, 4986, 4998, 5000, r1 = 60.5, r2 = 61.5, r3 = 133.5, r4 = 134.5, / # 328 PRO PSI: (328 PRO N)-(328 PRO CA)-(328 PRO C)-(329 ASP N) -47.5 -7.5 &rst iat = 5026, 5036, 5038, 5040, r1 = -48.5, r2 = -47.5, r3 = -7.5, r4 = -6.5, / # 329 ASP PSI: (329 ASP N)-(329 ASP CA)-(329 ASP C)-(330 LYS N) -54.9 -13.9 &rst iat = 5040, 5042, 5050, 5052, r1 = -55.9, r2 = -54.9, r3 = -13.9, r4 = -12.9, / # 330 LYS PSI: (330 LYS N)-(330 LYS CA)-(330 LYS C)-(331 ILE N) -61.0 -21.0 &rst iat = 5052, 5054, 5072, 5074, r1 = -62.0, r2 = -61.0, r3 = -21.0, r4 = -20.0, / # 331 ILE PSI: (331 ILE N)-(331 ILE CA)-(331 ILE C)-(332 LEU N) -66.4 -26.4 &rst iat = 5074, 5076, 5091, 5093, r1 = -67.4, r2 = -66.4, r3 = -26.4, r4 = -25.4, / # 332 LEU PSI: (332 LEU N)-(332 LEU CA)-(332 LEU C)-(333 GLU N) -60.2 -20.2 &rst iat = 5093, 5095, 5110, 5112, r1 = -61.2, r2 = -60.2, r3 = -20.2, r4 = -19.2, / # 333 GLU PSI: (333 GLU N)-(333 GLU CA)-(333 GLU C)-(334 LEU N) -56.0 -16.0 &rst iat = 5112, 5114, 5125, 5127, r1 = -57.0, r2 = -56.0, r3 = -16.0, r4 = -15.0, / # 334 LEU PSI: (334 LEU N)-(334 LEU CA)-(334 LEU C)-(335 LEU N) -47.4 -7.4 &rst iat = 5127, 5129, 5144, 5146, r1 = -48.4, r2 = -47.4, r3 = -7.4, r4 = -6.4, / # 335 LEU PSI: (335 LEU N)-(335 LEU CA)-(335 LEU C)-(336 PRO N) 120.0 160.0 &rst iat = 5146, 5148, 5163, 5165, r1 = 119.0, r2 = 120.0, r3 = 160.0, r4 = 161.0, / # 336 PRO PSI: (336 PRO N)-(336 PRO CA)-(336 PRO C)-(337 ARG N) 129.2 169.2 &rst iat = 5165, 5175, 5177, 5179, r1 = 128.2, r2 = 129.2, r3 = 169.2, r4 = 170.2, / # 337 ARG PSI: (337 ARG N)-(337 ARG CA)-(337 ARG C)-(338 ASP N) -43.7 -3.7 &rst iat = 5179, 5181, 5201, 5203, r1 = -44.7, r2 = -43.7, r3 = -3.7, r4 = -2.7, / # 341 ALA PSI: (341 ALA N)-(341 ALA CA)-(341 ALA C)-(342 LYS N) -40.9 21.1 &rst iat = 5248, 5250, 5256, 5258, r1 = -41.9, r2 = -40.9, r3 = 21.1, r4 = 22.1, / # 342 LYS PSI: (342 LYS N)-(342 LYS CA)-(342 LYS C)-(343 GLU N) -43.8 -0.8 &rst iat = 5258, 5260, 5278, 5280, r1 = -44.8, r2 = -43.8, r3 = -0.8, r4 = 0.2, / # 344 ASN PSI: (344 ASN N)-(344 ASN CA)-(344 ASN C)-(345 GLU N) 101.0 184.0 &rst iat = 5295, 5297, 5307, 5309, r1 = 100.0, r2 = 101.0, r3 = 184.0, r4 = 185.0, / # 345 GLU PSI: (345 GLU N)-(345 GLU CA)-(345 GLU C)-(346 LYS N) -33.7 7.3 &rst iat = 5309, 5311, 5322, 5324, r1 = -34.7, r2 = -33.7, r3 = 7.3, r4 = 8.3, / # 346 LYS PSI: (346 LYS N)-(346 LYS CA)-(346 LYS C)-(347 TRP N) -47.5 -7.5 &rst iat = 5324, 5326, 5344, 5346, r1 = -48.5, r2 = -47.5, r3 = -7.5, r4 = -6.5, / # 347 TRP PSI: (347 TRP N)-(347 TRP CA)-(347 TRP C)-(348 ASN N) 131.7 188.7 &rst iat = 5346, 5348, 5368, 5370, r1 = 130.7, r2 = 131.7, r3 = 188.7, r4 = 189.7, / # 349 THR PSI: (349 THR N)-(349 THR CA)-(349 THR C)-(350 GLN N) -55.2 -15.2 &rst iat = 5384, 5386, 5396, 5398, r1 = -56.2, r2 = -55.2, r3 = -15.2, r4 = -14.2, / # 350 GLN PSI: (350 GLN N)-(350 GLN CA)-(350 GLN C)-(351 LYS N) -58.4 -18.4 &rst iat = 5398, 5400, 5413, 5415, r1 = -59.4, r2 = -58.4, r3 = -18.4, r4 = -17.4, / # 351 LYS PSI: (351 LYS N)-(351 LYS CA)-(351 LYS C)-(352 TYR N) -64.6 -24.6 &rst iat = 5415, 5417, 5435, 5437, r1 = -65.6, r2 = -64.6, r3 = -24.6, r4 = -23.6, / # 352 TYR PSI: (352 TYR N)-(352 TYR CA)-(352 TYR C)-(353 PHE N) -64.9 -24.9 &rst iat = 5437, 5439, 5456, 5458, r1 = -65.9, r2 = -64.9, r3 = -24.9, r4 = -23.9, / # 353 PHE PSI: (353 PHE N)-(353 PHE CA)-(353 PHE C)-(354 VAL N) -60.7 -20.7 &rst iat = 5458, 5460, 5476, 5478, r1 = -61.7, r2 = -60.7, r3 = -20.7, r4 = -19.7, / # 354 VAL PSI: (354 VAL N)-(354 VAL CA)-(354 VAL C)-(355 ILE N) -60.3 -20.3 &rst iat = 5478, 5480, 5492, 5494, r1 = -61.3, r2 = -60.3, r3 = -20.3, r4 = -19.3, / # 355 ILE PSI: (355 ILE N)-(355 ILE CA)-(355 ILE C)-(356 THR N) -64.9 -24.9 &rst iat = 5494, 5496, 5511, 5513, r1 = -65.9, r2 = -64.9, r3 = -24.9, r4 = -23.9, / # 356 THR PSI: (356 THR N)-(356 THR CA)-(356 THR C)-(357 LEU N) -63.5 -23.5 &rst iat = 5513, 5515, 5525, 5527, r1 = -64.5, r2 = -63.5, r3 = -23.5, r4 = -22.5, / # 357 LEU PSI: (357 LEU N)-(357 LEU CA)-(357 LEU C)-(358 SER N) -63.4 -23.4 &rst iat = 5527, 5529, 5544, 5546, r1 = -64.4, r2 = -63.4, r3 = -23.4, r4 = -22.4, / # 358 SER PSI: (358 SER N)-(358 SER CA)-(358 SER C)-(359 LYS N) -62.8 -22.8 &rst iat = 5546, 5548, 5555, 5557, r1 = -63.8, r2 = -62.8, r3 = -22.8, r4 = -21.8, / # 359 LYS PSI: (359 LYS N)-(359 LYS CA)-(359 LYS C)-(360 ALA N) -62.6 -22.6 &rst iat = 5557, 5559, 5577, 5579, r1 = -63.6, r2 = -62.6, r3 = -22.6, r4 = -21.6, / # 360 ALA PSI: (360 ALA N)-(360 ALA CA)-(360 ALA C)-(361 TRP N) -59.0 -19.0 &rst iat = 5579, 5581, 5587, 5589, r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0, / # 361 TRP PSI: (361 TRP N)-(361 TRP CA)-(361 TRP C)-(362 SER N) -66.3 -26.3 &rst iat = 5589, 5591, 5611, 5613, r1 = -67.3, r2 = -66.3, r3 = -26.3, r4 = -25.3, / # 362 SER PSI: (362 SER N)-(362 SER CA)-(362 SER C)-(363 VAL N) -61.2 -21.2 &rst iat = 5613, 5615, 5622, 5624, r1 = -62.2, r2 = -61.2, r3 = -21.2, r4 = -20.2, / # 363 VAL PSI: (363 VAL N)-(363 VAL CA)-(363 VAL C)-(364 VAL N) -66.4 -26.4 &rst iat = 5624, 5626, 5638, 5640, r1 = -67.4, r2 = -66.4, r3 = -26.4, r4 = -25.4, / # 364 VAL PSI: (364 VAL N)-(364 VAL CA)-(364 VAL C)-(365 LYS N) -61.2 -21.2 &rst iat = 5640, 5642, 5654, 5656, r1 = -62.2, r2 = -61.2, r3 = -21.2, r4 = -20.2, / # 365 LYS PSI: (365 LYS N)-(365 LYS CA)-(365 LYS C)-(366 LYS N) -62.4 -16.4 &rst iat = 5656, 5658, 5676, 5678, r1 = -63.4, r2 = -62.4, r3 = -16.4, r4 = -15.4, / # 366 LYS PSI: (366 LYS N)-(366 LYS CA)-(366 LYS C)-(367 TYR N) -55.3 -15.3 &rst iat = 5678, 5680, 5698, 5700, r1 = -56.3, r2 = -55.3, r3 = -15.3, r4 = -14.3, / # 367 TYR PSI: (367 TYR N)-(367 TYR CA)-(367 TYR C)-(368 LEU N) -57.2 -17.2 &rst iat = 5700, 5702, 5719, 5721, r1 = -58.2, r2 = -57.2, r3 = -17.2, r4 = -16.2, / # 368 LEU PSI: (368 LEU N)-(368 LEU CA)-(368 LEU C)-(369 GLU N) -54.6 -8.6 &rst iat = 5721, 5723, 5738, 5740, r1 = -55.6, r2 = -54.6, r3 = -8.6, r4 = -7.6, / # 261 GLU PHI: (260 PHE C)-(261 GLU N)-(261 GLU CA)-(261 GLU C) -81.8 -41.8 &rst iat = 3907, 3909, 3911, 3922, r1 = -82.8, r2 = -81.8, r3 = -41.8, r4 = -40.8, / # 262 GLU PHI: (261 GLU C)-(262 GLU N)-(262 GLU CA)-(262 GLU C) -85.4 -45.4 &rst iat = 3922, 3924, 3926, 3937, r1 = -86.4, r2 = -85.4, r3 = -45.4, r4 = -44.4, / # 263 LEU PHI: (262 GLU C)-(263 LEU N)-(263 LEU CA)-(263 LEU C) -87.1 -47.1 &rst iat = 3937, 3939, 3941, 3956, r1 = -88.1, r2 = -87.1, r3 = -47.1, r4 = -46.1, / # 264 ARG PHI: (263 LEU C)-(264 ARG N)-(264 ARG CA)-(264 ARG C) -82.1 -42.1 &rst iat = 3956, 3958, 3960, 3980, r1 = -83.1, r2 = -82.1, r3 = -42.1, r4 = -41.1, / # 265 LYS PHI: (264 ARG C)-(265 LYS N)-(265 LYS CA)-(265 LYS C) -83.1 -43.1 &rst iat = 3980, 3982, 3984, 4002, r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1, / # 266 GLU PHI: (265 LYS C)-(266 GLU N)-(266 GLU CA)-(266 GLU C) -84.2 -43.2 &rst iat = 4002, 4004, 4006, 4017, r1 = -85.2, r2 = -84.2, r3 = -43.2, r4 = -42.2, / # 267 LEU PHI: (266 GLU C)-(267 LEU N)-(267 LEU CA)-(267 LEU C) -85.3 -45.3 &rst iat = 4017, 4019, 4021, 4036, r1 = -86.3, r2 = -85.3, r3 = -45.3, r4 = -44.3, / # 268 VAL PHI: (267 LEU C)-(268 VAL N)-(268 VAL CA)-(268 VAL C) -96.2 -42.2 &rst iat = 4036, 4038, 4040, 4052, r1 = -97.2, r2 = -96.2, r3 = -42.2, r4 = -41.2, / # 269 LYS PHI: (268 VAL C)-(269 LYS N)-(269 LYS CA)-(269 LYS C) -90.2 -38.2 &rst iat = 4052, 4054, 4056, 4074, r1 = -91.2, r2 = -90.2, r3 = -38.2, r4 = -37.2, / # 270 ARG PHI: (269 LYS C)-(270 ARG N)-(270 ARG CA)-(270 ARG C) -117.2 -77.2 &rst iat = 4074, 4076, 4078, 4098, r1 = -118.2, r2 = -117.2, r3 = -77.2, r4 = -76.2, / # 271 ASP PHI: (270 ARG C)-(271 ASP N)-(271 ASP CA)-(271 ASP C) -108.8 -53.8 &rst iat = 4098, 4100, 4102, 4110, r1 = -109.8, r2 = -108.8, r3 = -53.8, r4 = -52.8, / # 272 SER PHI: (271 ASP C)-(272 SER N)-(272 SER CA)-(272 SER C) -86.2 -46.2 &rst iat = 4110, 4112, 4114, 4121, r1 = -87.2, r2 = -86.2, r3 = -46.2, r4 = -45.2, / # 274 LYS PHI: (273 GLY C)-(274 LYS N)-(274 LYS CA)-(274 LYS C) -134.7 -68.7 &rst iat = 4128, 4130, 4132, 4150, r1 = -135.7, r2 = -134.7, r3 = -68.7, r4 = -67.7, / # 276 VAL PHI: (275 PRO C)-(276 VAL N)-(276 VAL CA)-(276 VAL C) -68.9 -28.9 &rst iat = 4164, 4166, 4168, 4180, r1 = -69.9, r2 = -68.9, r3 = -28.9, r4 = -27.9, / # 277 GLU PHI: (276 VAL C)-(277 GLU N)-(277 GLU CA)-(277 GLU C) -79.8 -39.8 &rst iat = 4180, 4182, 4184, 4195, r1 = -80.8, r2 = -79.8, r3 = -39.8, r4 = -38.8, / # 278 LYS PHI: (277 GLU C)-(278 LYS N)-(278 LYS CA)-(278 LYS C) -88.3 -48.3 &rst iat = 4195, 4197, 4199, 4217, r1 = -89.3, r2 = -88.3, r3 = -48.3, r4 = -47.3, / # 279 ILE PHI: (278 LYS C)-(279 ILE N)-(279 ILE CA)-(279 ILE C) -82.2 -42.2 &rst iat = 4217, 4219, 4221, 4236, r1 = -83.2, r2 = -82.2, r3 = -42.2, r4 = -41.2, / # 280 LYS PHI: (279 ILE C)-(280 LYS N)-(280 LYS CA)-(280 LYS C) -82.4 -42.4 &rst iat = 4236, 4238, 4240, 4258, r1 = -83.4, r2 = -82.4, r3 = -42.4, r4 = -41.4, / # 281 GLU PHI: (280 LYS C)-(281 GLU N)-(281 GLU CA)-(281 GLU C) -84.5 -41.5 &rst iat = 4258, 4260, 4262, 4273, r1 = -85.5, r2 = -84.5, r3 = -41.5, r4 = -40.5, / # 282 GLU PHI: (281 GLU C)-(282 GLU N)-(282 GLU CA)-(282 GLU C) -84.7 -44.7 &rst iat = 4273, 4275, 4277, 4288, r1 = -85.7, r2 = -84.7, r3 = -44.7, r4 = -43.7, / # 283 ILE PHI: (282 GLU C)-(283 ILE N)-(283 ILE CA)-(283 ILE C) -87.3 -40.3 &rst iat = 4288, 4290, 4292, 4307, r1 = -88.3, r2 = -87.3, r3 = -40.3, r4 = -39.3, / # 255 CYS PHI: (283 ILE C)-(284 CYX N)-(284 CYX CA)-(284 CYX C) -92.3 -50.3 &rst iat = 4307, 4309, 4311, 4317, r1 = -93.3, r2 = -92.3, r3 = -50.3, r4 = -49.3, / # 285 THR PHI: (284 CYX C)-(285 THR N)-(285 THR CA)-(285 THR C) -93.4 -53.4 &rst iat = 4317, 4319, 4321, 4331, r1 = -94.4, r2 = -93.4, r3 = -53.4, r4 = -52.4, / # 287 SER PHI: (286 LYS C)-(287 SER N)-(287 SER CA)-(287 SER C) -114.0 -69.6 &rst iat = 4353, 4355, 4357, 4364, r1 = -115.0, r2 = -114.0, r3 = -69.6, r4 = -68.6, / # 292 ILE PHI: (291 LEU C)-(292 ILE N)-(292 ILE CA)-(292 ILE C) -83.2 -43.2 &rst iat = 4433, 4435, 4437, 4452, r1 = -84.2, r2 = -83.2, r3 = -43.2, r4 = -42.2, / # 293 LYS PHI: (292 ILE C)-(293 LYS N)-(293 LYS CA)-(293 LYS C) -81.9 -41.9 &rst iat = 4452, 4454, 4456, 4474, r1 = -82.9, r2 = -81.9, r3 = -41.9, r4 = -40.9, / # 294 GLU PHI: (293 LYS C)-(294 GLU N)-(294 GLU CA)-(294 GLU C) -81.5 -41.5 &rst iat = 4474, 4476, 4478, 4489, r1 = -82.5, r2 = -81.5, r3 = -41.5, r4 = -40.5, / # 295 ILE PHI: (294 GLU C)-(295 ILE N)-(295 ILE CA)-(295 ILE C) -103.3 -50.3 &rst iat = 4489, 4491, 4493, 4508, r1 = -104.3, r2 = -103.3, r3 = -50.3, r4 = -49.3, / # 296 ILE PHI: (295 ILE C)-(296 ILE N)-(296 ILE CA)-(296 ILE C) -89.9 -40.0 &rst iat = 4508, 4510, 4512, 4527, r1 = -90.9, r2 = -89.9, r3 = -40.0, r4 = -39.0, / # 268 CYS PHI: (296 ILE C)-(297 CYX N)-(297 CYX CA)-(297 CYX C) -99.0 -50.0 &rst iat = 4527, 4529, 4531, 4537, r1 = -100.0, r2 = -99.0, r3 = -50.0, r4 = -49.0, / # 298 GLU PHI: (297 CYX C)-(298 GLU N)-(298 GLU CA)-(298 GLU C) -122.8 -80.8 &rst iat = 4537, 4539, 4541, 4552, r1 = -123.8, r2 = -122.8, r3 = -80.8, r4 = -79.8, / # 300 LYS PHI: (299 ASN C)-(300 LYS N)-(300 LYS CA)-(300 LYS C) -132.2 -72.2 &rst iat = 4566, 4568, 4570, 4588, r1 = -133.2, r2 = -132.2, r3 = -72.2, r4 = -71.2, / # 301 THR PHI: (300 LYS C)-(301 THR N)-(301 THR CA)-(301 THR C) -111.9 -71.9 &rst iat = 4588, 4590, 4592, 4602, r1 = -112.9, r2 = -111.9, r3 = -71.9, r4 = -70.9, / # 302 TYR PHI: (301 THR C)-(302 TYR N)-(302 TYR CA)-(302 TYR C) -85.8 -45.8 &rst iat = 4602, 4604, 4606, 4623, r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8, / # 303 ALA PHI: (302 TYR C)-(303 ALA N)-(303 ALA CA)-(303 ALA C) -80.8 -40.8 &rst iat = 4623, 4625, 4627, 4633, r1 = -81.8, r2 = -80.8, r3 = -40.8, r4 = -39.8, / # 304 ASP PHI: (303 ALA C)-(304 ASP N)-(304 ASP CA)-(304 ASP C) -85.6 -45.6 &rst iat = 4633, 4635, 4637, 4645, r1 = -86.6, r2 = -85.6, r3 = -45.6, r4 = -44.6, / # 305 VAL PHI: (304 ASP C)-(305 VAL N)-(305 VAL CA)-(305 VAL C) -113.2 -73.2 &rst iat = 4645, 4647, 4649, 4661, r1 = -114.2, r2 = -113.2, r3 = -73.2, r4 = -72.2, / # 307 ILE PHI: (306 ASN C)-(307 ILE N)-(307 ILE CA)-(307 ILE C) -146.8 -106.8 &rst iat = 4675, 4677, 4679, 4694, r1 = -147.8, r2 = -146.8, r3 = -106.8, r4 = -105.8, / # 308 ASP PHI: (307 ILE C)-(308 ASP N)-(308 ASP CA)-(308 ASP C) -104.0 -62.0 &rst iat = 4694, 4696, 4698, 4706, r1 = -105.0, r2 = -104.0, r3 = -62.0, r4 = -61.0, / # 309 ARG PHI: (308 ASP C)-(309 ARG N)-(309 ARG CA)-(309 ARG C) -81.1 -41.1 &rst iat = 4706, 4708, 4710, 4730, r1 = -82.1, r2 = -81.1, r3 = -41.1, r4 = -40.1, / # 310 SER PHI: (309 ARG C)-(310 SER N)-(310 SER CA)-(310 SER C) -81.4 -41.4 &rst iat = 4730, 4732, 4734, 4741, r1 = -82.4, r2 = -81.4, r3 = -41.4, r4 = -40.4, / # 311 ARG PHI: (310 SER C)-(311 ARG N)-(311 ARG CA)-(311 ARG C) -82.9 -42.9 &rst iat = 4741, 4743, 4745, 4765, r1 = -83.9, r2 = -82.9, r3 = -42.9, r4 = -41.9, / # 312 GLY PHI: (311 ARG C)-(312 GLY N)-(312 GLY CA)-(312 GLY C) -81.0 -41.0 &rst iat = 4765, 4767, 4769, 4772, r1 = -82.0, r2 = -81.0, r3 = -41.0, r4 = -40.0, / # 313 ASP PHI: (312 GLY C)-(313 ASP N)-(313 ASP CA)-(313 ASP C) -88.0 -48.0 &rst iat = 4772, 4774, 4776, 4784, r1 = -89.0, r2 = -88.0, r3 = -48.0, r4 = -47.0, / # 314 TRP PHI: (313 ASP C)-(314 TRP N)-(314 TRP CA)-(314 TRP C) -84.6 -44.6 &rst iat = 4784, 4786, 4788, 4808, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 286 HIS PHI: (314 TRP C)-(286 HIE N)-(286 HIE CA)-(286 HIE C) -81.9 -41.9 &rst iat = 4808, 4810, 4812, 4825, r1 = -82.9, r2 = -81.9, r3 = -41.9, r4 = -40.9, / # 316 VAL PHI: (286 HIE C)-(316 VAL N)-(316 VAL CA)-(316 VAL C) -82.0 -42.0 &rst iat = 4825, 4827, 4829, 4841, r1 = -83.0, r2 = -82.0, r3 = -42.0, r4 = -41.0, / # 317 ILE PHI: (316 VAL C)-(317 ILE N)-(317 ILE CA)-(317 ILE C) -83.0 -43.0 &rst iat = 4841, 4843, 4845, 4860, r1 = -84.0, r2 = -83.0, r3 = -43.0, r4 = -42.0, / # 318 LEU PHI: (317 ILE C)-(318 LEU N)-(318 LEU CA)-(318 LEU C) -79.8 -39.8 &rst iat = 4860, 4862, 4864, 4879, r1 = -80.8, r2 = -79.8, r3 = -39.8, r4 = -38.8, / # 319 TYR PHI: (318 LEU C)-(319 TYR N)-(319 TYR CA)-(319 TYR C) -87.0 -47.0 &rst iat = 4879, 4881, 4883, 4900, r1 = -88.0, r2 = -87.0, r3 = -47.0, r4 = -46.0, / # 320 LEU PHI: (319 TYR C)-(320 LEU N)-(320 LEU CA)-(320 LEU C) -83.1 -43.1 &rst iat = 4900, 4902, 4904, 4919, r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1, / # 321 MET PHI: (320 LEU C)-(321 MET N)-(321 MET CA)-(321 MET C) -82.1 -42.1 &rst iat = 4919, 4921, 4923, 4936, r1 = -83.1, r2 = -82.1, r3 = -42.1, r4 = -41.1, / # 322 LYS PHI: (321 MET C)-(322 LYS N)-(322 LYS CA)-(322 LYS C) -80.7 -40.7 &rst iat = 4936, 4938, 4940, 4958, r1 = -81.7, r2 = -80.7, r3 = -40.7, r4 = -39.7, / # 294 HIS PHI: (322 LYS C)-(323 HID N)-(323 HID CA)-(323 HID C) -92.1 -52.1 &rst iat = 4958, 4960, 4962, 4975, r1 = -93.1, r2 = -92.1, r3 = -52.1, r4 = -51.1, / # 325 VAL PHI: (324 GLY C)-(325 VAL N)-(325 VAL CA)-(325 VAL C) -114.6 -74.6 &rst iat = 4982, 4984, 4986, 4998, r1 = -115.6, r2 = -114.6, r3 = -74.6, r4 = -73.6, / # 326 THR PHI: (325 VAL C)-(326 THR N)-(326 THR CA)-(326 THR C) -113.8 -73.8 &rst iat = 4998, 5000, 5002, 5012, r1 = -114.8, r2 = -113.8, r3 = -73.8, r4 = -72.8, / # 329 ASP PHI: (328 PRO C)-(329 ASP N)-(329 ASP CA)-(329 ASP C) -85.8 -45.8 &rst iat = 5038, 5040, 5042, 5050, r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8, / # 330 LYS PHI: (329 ASP C)-(330 LYS N)-(330 LYS CA)-(330 LYS C) -83.6 -43.6 &rst iat = 5050, 5052, 5054, 5072, r1 = -84.6, r2 = -83.6, r3 = -43.6, r4 = -42.6, / # 331 ILE PHI: (330 LYS C)-(331 ILE N)-(331 ILE CA)-(331 ILE C) -83.0 -43.0 &rst iat = 5072, 5074, 5076, 5091, r1 = -84.0, r2 = -83.0, r3 = -43.0, r4 = -42.0, / # 332 LEU PHI: (331 ILE C)-(332 LEU N)-(332 LEU CA)-(332 LEU C) -79.6 -39.6 &rst iat = 5091, 5093, 5095, 5110, r1 = -80.6, r2 = -79.6, r3 = -39.6, r4 = -38.6, / # 333 GLU PHI: (332 LEU C)-(333 GLU N)-(333 GLU CA)-(333 GLU C) -86.1 -46.1 &rst iat = 5110, 5112, 5114, 5125, r1 = -87.1, r2 = -86.1, r3 = -46.1, r4 = -45.1, / # 334 LEU PHI: (333 GLU C)-(334 LEU N)-(334 LEU CA)-(334 LEU C) -104.6 -64.6 &rst iat = 5125, 5127, 5129, 5144, r1 = -105.6, r2 = -104.6, r3 = -64.6, r4 = -63.6, / # 335 LEU PHI: (334 LEU C)-(335 LEU N)-(335 LEU CA)-(335 LEU C) -98.2 -58.2 &rst iat = 5144, 5146, 5148, 5163, r1 = -99.2, r2 = -98.2, r3 = -58.2, r4 = -57.2, / # 337 ARG PHI: (336 PRO C)-(337 ARG N)-(337 ARG CA)-(337 ARG C) -92.5 -52.5 &rst iat = 5177, 5179, 5181, 5201, r1 = -93.5, r2 = -92.5, r3 = -52.5, r4 = -51.5, / # 338 ASP PHI: (337 ARG C)-(338 ASP N)-(338 ASP CA)-(338 ASP C) -109.4 -69.4 &rst iat = 5201, 5203, 5205, 5213, r1 = -110.4, r2 = -109.4, r3 = -69.4, r4 = -68.4, / # 339 SER PHI: (338 ASP C)-(339 SER N)-(339 SER CA)-(339 SER C) -77.6 -37.6 &rst iat = 5213, 5215, 5217, 5224, r1 = -78.6, r2 = -77.6, r3 = -37.6, r4 = -36.6, / # 341 ALA PHI: (340 LYS C)-(341 ALA N)-(341 ALA CA)-(341 ALA C) -133.8 -54.8 &rst iat = 5246, 5248, 5250, 5256, r1 = -134.8, r2 = -133.8, r3 = -54.8, r4 = -53.8, / # 342 LYS PHI: (341 ALA C)-(342 LYS N)-(342 LYS CA)-(342 LYS C) -111.5 -71.5 &rst iat = 5256, 5258, 5260, 5278, r1 = -112.5, r2 = -111.5, r3 = -71.5, r4 = -70.5, / # 345 GLU PHI: (344 ASN C)-(345 GLU N)-(345 GLU CA)-(345 GLU C) -117.6 -45.6 &rst iat = 5307, 5309, 5311, 5322, r1 = -118.6, r2 = -117.6, r3 = -45.6, r4 = -44.6, / # 346 LYS PHI: (345 GLU C)-(346 LYS N)-(346 LYS CA)-(346 LYS C) -107.2 -60.2 &rst iat = 5322, 5324, 5326, 5344, r1 = -108.2, r2 = -107.2, r3 = -60.2, r4 = -59.2, / # 347 TRP PHI: (346 LYS C)-(347 TRP N)-(347 TRP CA)-(347 TRP C) -164.4 -106.4 &rst iat = 5344, 5346, 5348, 5368, r1 = -165.4, r2 = -164.4, r3 = -106.4, r4 = -105.4, / # 349 THR PHI: (348 ASN C)-(349 THR N)-(349 THR CA)-(349 THR C) -76.3 -36.3 &rst iat = 5382, 5384, 5386, 5396, r1 = -77.3, r2 = -76.3, r3 = -36.3, r4 = -35.3, / # 350 GLN PHI: (349 THR C)-(350 GLN N)-(350 GLN CA)-(350 GLN C) -86.8 -46.8 &rst iat = 5396, 5398, 5400, 5413, r1 = -87.8, r2 = -86.8, r3 = -46.8, r4 = -45.8, / # 351 LYS PHI: (350 GLN C)-(351 LYS N)-(351 LYS CA)-(351 LYS C) -81.3 -41.3 &rst iat = 5413, 5415, 5417, 5435, r1 = -82.3, r2 = -81.3, r3 = -41.3, r4 = -40.3, / # 352 TYR PHI: (351 LYS C)-(352 TYR N)-(352 TYR CA)-(352 TYR C) -81.0 -41.0 &rst iat = 5435, 5437, 5439, 5456, r1 = -82.0, r2 = -81.0, r3 = -41.0, r4 = -40.0, / # 353 PHE PHI: (352 TYR C)-(353 PHE N)-(353 PHE CA)-(353 PHE C) -83.7 -43.7 &rst iat = 5456, 5458, 5460, 5476, r1 = -84.7, r2 = -83.7, r3 = -43.7, r4 = -42.7, / # 354 VAL PHI: (353 PHE C)-(354 VAL N)-(354 VAL CA)-(354 VAL C) -83.3 -43.3 &rst iat = 5476, 5478, 5480, 5492, r1 = -84.3, r2 = -83.3, r3 = -43.3, r4 = -42.3, / # 355 ILE PHI: (354 VAL C)-(355 ILE N)-(355 ILE CA)-(355 ILE C) -77.4 -37.4 &rst iat = 5492, 5494, 5496, 5511, r1 = -78.4, r2 = -77.4, r3 = -37.4, r4 = -36.4, / # 356 THR PHI: (355 ILE C)-(356 THR N)-(356 THR CA)-(356 THR C) -83.8 -43.8 &rst iat = 5511, 5513, 5515, 5525, r1 = -84.8, r2 = -83.8, r3 = -43.8, r4 = -42.8, / # 357 LEU PHI: (356 THR C)-(357 LEU N)-(357 LEU CA)-(357 LEU C) -81.3 -41.3 &rst iat = 5525, 5527, 5529, 5544, r1 = -82.3, r2 = -81.3, r3 = -41.3, r4 = -40.3, / # 358 SER PHI: (357 LEU C)-(358 SER N)-(358 SER CA)-(358 SER C) -83.6 -43.6 &rst iat = 5544, 5546, 5548, 5555, r1 = -84.6, r2 = -83.6, r3 = -43.6, r4 = -42.6, / # 359 LYS PHI: (358 SER C)-(359 LYS N)-(359 LYS CA)-(359 LYS C) -84.2 -44.2 &rst iat = 5555, 5557, 5559, 5577, r1 = -85.2, r2 = -84.2, r3 = -44.2, r4 = -43.2, / # 360 ALA PHI: (359 LYS C)-(360 ALA N)-(360 ALA CA)-(360 ALA C) -83.9 -44.0 &rst iat = 5577, 5579, 5581, 5587, r1 = -84.9, r2 = -83.9, r3 = -44.0, r4 = -43.0, / # 361 TRP PHI: (360 ALA C)-(361 TRP N)-(361 TRP CA)-(361 TRP C) -82.6 -42.6 &rst iat = 5587, 5589, 5591, 5611, r1 = -83.6, r2 = -82.6, r3 = -42.6, r4 = -41.6, / # 362 SER PHI: (361 TRP C)-(362 SER N)-(362 SER CA)-(362 SER C) -79.5 -39.5 &rst iat = 5611, 5613, 5615, 5622, r1 = -80.5, r2 = -79.5, r3 = -39.5, r4 = -38.5, / # 363 VAL PHI: (362 SER C)-(363 VAL N)-(363 VAL CA)-(363 VAL C) -85.6 -45.6 &rst iat = 5622, 5624, 5626, 5638, r1 = -86.6, r2 = -85.6, r3 = -45.6, r4 = -44.6, / # 364 VAL PHI: (363 VAL C)-(364 VAL N)-(364 VAL CA)-(364 VAL C) -85.5 -45.5 &rst iat = 5638, 5640, 5642, 5654, r1 = -86.5, r2 = -85.5, r3 = -45.5, r4 = -44.5, / # 365 LYS PHI: (364 VAL C)-(365 LYS N)-(365 LYS CA)-(365 LYS C) -80.5 -40.5 &rst iat = 5654, 5656, 5658, 5676, r1 = -81.5, r2 = -80.5, r3 = -40.5, r4 = -39.5, / # 366 LYS PHI: (365 LYS C)-(366 LYS N)-(366 LYS CA)-(366 LYS C) -84.6 -44.6 &rst iat = 5676, 5678, 5680, 5698, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 367 TYR PHI: (366 LYS C)-(367 TYR N)-(367 TYR CA)-(367 TYR C) -89.8 -49.8 &rst iat = 5698, 5700, 5702, 5719, r1 = -90.8, r2 = -89.8, r3 = -49.8, r4 = -48.8, / # 368 LEU PHI: (367 TYR C)-(368 LEU N)-(368 LEU CA)-(368 LEU C) -99.2 -59.2 &rst iat = 5719, 5721, 5723, 5738, r1 = -100.2, r2 = -99.2, r3 = -59.2, r4 = -58.2, /