NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	599343	2myg	25451	cing	1-original	1	AMBER	distance	NOE	simple

#
#  62 TYR HD1 HD2    62 TYR H 3.36 
 &rst iat= 969, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR HD1 HD2  2.96  
 &rst iat= -1, -1, r1= 3.05, r2= 3.55, r3= 7.95, r4= 8.45,
 igr1= 963, 964, 965,   igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HD1 HD2    62 TYR HA 3.03 
 &rst iat= 971, -1, r1= 2.90, r2= 3.40, r3= 3.40, r4= 3.90,
 igr1= 0,  igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    62 TYR HD1 HD2  4.08  
 &rst iat= -1, -1, r1= 4.40, r2= 4.90, r3= 9.30, r4= 9.80,
 igr1= 910, 908, 909,   igr2= 977, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HD1 HD2    28 ARG HG3 3.69 
 &rst iat= -1, 418, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 370, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HD1 HD2    25 TYR H 3.64 
 &rst iat= 362, -1, r1= 3.59, r2= 4.09, r3= 4.09, r4= 4.59,
 igr1= 0,  igr2= 370, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HD1 HD2    25 TYR HA 3.03 
 &rst iat= 364, -1, r1= 2.90, r2= 3.40, r3= 3.40, r4= 3.90,
 igr1= 0,  igr2= 370, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 PRO 3HG 2HG    25 TYR HD1 HD2  4.04  
 &rst iat= -1, -1, r1= 4.03, r2= 4.53, r3= 8.93, r4= 9.43,
 igr1= 353, 352,   igr2= 370, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    63 LYS H 4.43 
 &rst iat= -1, 990, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    64 HID H 4.05 
 &rst iat= -1, 1012, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU HA 3.21 
 &rst iat= -1, 1031, r1= 3.10, r2= 3.60, r3= 3.60, r4= 4.10,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    63 LYS HA 3.29 
 &rst iat= -1, 992, r1= 3.19, r2= 3.69, r3= 3.69, r4= 4.19,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    59 TYR H 4.40 
 &rst iat= 921, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 938, 929,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    59 TYR HA 2.94 
 &rst iat= 923, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 938, 929,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    60 GLN HA 3.67 
 &rst iat= -1, 944, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    60 GLN 2HG 3HG  3.72  
 &rst iat= -1, -1, r1= 3.68, r2= 4.18, r3= 8.58, r4= 9.08,
 igr1= 938, 929,   igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU 2HG 3HG  2.97  
 &rst iat= -1, -1, r1= 2.83, r2= 3.33, r3= 7.73, r4= 8.23,
 igr1= 938, 929,   igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU HB3 3.44 
 &rst iat= -1, 1034, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HD2 HD1    65 GLU HB2 4.06 
 &rst iat= -1, 1033, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    20 TRP HA 3.89 
 &rst iat= 285, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    44 TYR HA 2.82 
 &rst iat= 686, -1, r1= 2.67, r2= 3.17, r3= 3.17, r4= 3.67,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    19 SER HB3 3.58 
 &rst iat= 277, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    47 LYS HE2 4.52 
 &rst iat= -1, 746, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 692, 701,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    47 LYS HG3 4.48 
 &rst iat= -1, 741, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 692, 701,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR HD1 HD2  3.60  
 &rst iat= -1, -1, r1= 3.82, r2= 4.32, r3= 8.72, r4= 9.22,
 igr1= 663, 661, 662,   igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HD1 HD2    77 ILE H 3.67 
 &rst iat= -1, 1211, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 1199, 1207,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HD1 HD2    76 PHE HA 2.96 
 &rst iat= 1193, -1, r1= 2.82, r2= 3.32, r3= 3.32, r4= 3.82,
 igr1= 0,  igr2= 1199, 1207,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    18 PHE HA 4.03 
 &rst iat= 254, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    43 HID HB3 3.85 
 &rst iat= -1, 672, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    69 ALA 1HB 2HB 3HB  3.59  
 &rst iat= -1, -1, r1= 3.81, r2= 4.31, r3= 8.71, r4= 9.21,
 igr1= 268, 260,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    45 VAL 3HG1 2HG1 1HG1  3.14  
 &rst iat= -1, -1, r1= 3.27, r2= 3.77, r3= 8.17, r4= 8.67,
 igr1= 268, 260,   igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    58 ILE 2HD1 1HD1 3HD1  4.02  
 &rst iat= -1, -1, r1= 4.33, r2= 4.83, r3= 9.23, r4= 9.73,
 igr1= 268, 260,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    18 PHE HD2 HD1  4.45  
 &rst iat= -1, -1, r1= 4.84, r2= 5.34, r3= 9.74, r4= 10.24,
 igr1= 134, 133, 135,   igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    18 PHE H 3.59 
 &rst iat= 252, -1, r1= 3.53, r2= 4.03, r3= 4.03, r4= 4.53,
 igr1= 0,  igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    71 PHE HD1 HD2  4.24  
 &rst iat= -1, -1, r1= 4.26, r2= 4.76, r3= 9.16, r4= 9.66,
 igr1= 268, 260,   igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    43 HID HB2 4.30 
 &rst iat= -1, 671, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    43 HID H 4.46 
 &rst iat= -1, 667, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    18 PHE HE1 HE2  4.55  
 &rst iat= -1, -1, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 107, 108,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    18 PHE HZ 4.06 
 &rst iat= -1, 264, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HE1 HE2    71 PHE HD1 HD2  4.32  
 &rst iat= -1, -1, r1= 4.35, r2= 4.85, r3= 9.25, r4= 9.75,
 igr1= 262, 266,   igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    18 PHE HE1 HE2  3.57  
 &rst iat= -1, -1, r1= 4.31, r2= 4.81, r3= 4.81, r4= 5.31,
 igr1= 69, 70, 71,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    18 PHE HE1 HE2  3.85  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 228, 227, 226,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    18 PHE HE1 HE2  3.62  
 &rst iat= -1, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 134, 133, 135,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HA  71 PHE HZ 4.56 
 &rst iat=  904, 1129, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    71 PHE HZ 3.74 
 &rst iat= -1, 1129, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 910, 908, 909,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    71 PHE HZ 4.49 
 &rst iat= -1, 1129, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    71 PHE HZ 3.62 
 &rst iat= -1, 1129, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG12  18 PHE HZ 4.35 
 &rst iat=  73, 264, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE HZ  78 GLY HA3 3.94 
 &rst iat=  1203, 1233, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET 2HB 3HB    18 PHE HZ 3.88 
 &rst iat= -1, 264, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 107, 108,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    18 PHE HZ 4.41 
 &rst iat= -1, 264, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    18 PHE HZ 4.06 
 &rst iat= -1, 264, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    18 PHE HZ 4.04 
 &rst iat= -1, 264, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HD1  21 VAL H 4.32 
 &rst iat=  291, 307, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HD1  45 VAL H 4.20 
 &rst iat=  291, 705, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  20 TRP HD1 2.90 
 &rst iat=  285, 291, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HD1  44 TYR HA 4.35 
 &rst iat=  291, 686, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP 2HB 3HB    20 TRP HD1 3.66 
 &rst iat= -1, 291, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 287, 288,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HD1  46 ASP HB2 3.51 
 &rst iat=  291, 725, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    20 TRP HD1 4.56 
 &rst iat= 291, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP HD1 2.82 
 &rst iat= 291, -1, r1= 2.89, r2= 3.39, r3= 3.39, r4= 3.89,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HD1  46 ASP HB3 4.24 
 &rst iat=  291, 726, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    19 SER HB3 3.51 
 &rst iat= 277, -1, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HE2 HE1    19 SER HB2 3.44 
 &rst iat= 276, -1, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    44 TYR HE2 HE1  4.28  
 &rst iat= -1, -1, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 659, 657, 658,   igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR HE2 HE1  3.05  
 &rst iat= -1, -1, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 663, 661, 662,   igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HE1 HE2    25 TYR HA 4.47 
 &rst iat= 364, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 372, 377,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 PRO 3HG 2HG    25 TYR HE1 HE2  4.18  
 &rst iat= -1, -1, r1= 4.19, r2= 4.69, r3= 9.09, r4= 9.59,
 igr1= 353, 352,   igr2= 372, 377,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HB2  34 HID HD2 3.79 
 &rst iat=  504, 532, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HE2 HE1    76 PHE HB2 3.98 
 &rst iat= -1, 1195, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 984, 979,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    62 TYR HE2 HE1  4.41  
 &rst iat= -1, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 913, 912,   igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR HE2 HE1  3.04  
 &rst iat= -1, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 963, 964, 965,   igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    62 TYR HE2 HE1  3.67  
 &rst iat= -1, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 910, 908, 909,   igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    65 GLU 2HG 3HG  3.14  
 &rst iat= -1, -1, r1= 3.02, r2= 3.52, r3= 7.92, r4= 8.42,
 igr1= 931, 936,   igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    63 LYS 3HE 2HE  4.47  
 &rst iat= -1, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 931, 936,   igr2= 1004, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    65 GLU HB3 3.72 
 &rst iat= -1, 1034, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HA  96 LEU CG 4.98 
 &rst iat=  572, 1482, r1= 4.48, r2= 4.98,
 r3= 9.38, r4= 9.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG HA  58 ILE H 4.00 
 &rst iat=  858, 902, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    55 ARG HA 4.50 
 &rst iat= 858, -1, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 0,  igr2= 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    55 ARG HA 3.73 
 &rst iat= 858, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  55 ARG HD3 5.12 
 &rst iat=  858, 867, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  34 HID H 4.49 
 &rst iat=  446, 519, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  34 HID HD2 4.94 
 &rst iat=  446, 532, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  31 LYS HA 4.65 
 &rst iat=  446, 461, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  30 GLU HG3 3.69 
 &rst iat=  446, 452, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  30 GLU HG2 3.44 
 &rst iat=  446, 451, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU HB2 3.55 
 &rst iat=  446, 504, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU HB3 4.33 
 &rst iat=  446, 505, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU CG 4.78 
 &rst iat=  446, 506, r1= 4.28, r2= 4.78,
 r3= 9.18, r4= 9.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    30 GLU HA 4.88 
 &rst iat= -1, 446, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    17 VAL H 4.55 
 &rst iat= 236, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    19 SER HB2 5.45 
 &rst iat= 276, -1, r1= 6.05, r2= 6.55, r3= 6.55, r4= 7.05,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    30 GLU HG2 3.94 
 &rst iat= 451, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    42 VAL 3HG1 1HG1 2HG1  3.87  
 &rst iat= -1, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 628, 629,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    42 VAL HA 3.35 
 &rst iat= 653, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    17 VAL HB 3.38 
 &rst iat= 240, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR HA 4.99 
 &rst iat= -1, 686, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    17 VAL H 5.04 
 &rst iat= 236, -1, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    19 SER HB2 3.72 
 &rst iat= 276, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    17 VAL HB 3.75 
 &rst iat= 240, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    42 VAL 3HG2 1HG2 2HG2  5.00  
 &rst iat= -1, -1, r1= 6.71, r2= 7.21, r3= 7.21, r4= 7.71,
 igr1= 248, 247, 246,   igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    42 VAL 3HG2 1HG2 2HG2  4.13  
 &rst iat= -1, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 633, 631, 632,   igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG1 2HG1    72 ILE HA 3.47 
 &rst iat= 1139, -1, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 0,  igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE HA 3.35 
 &rst iat= 1139, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HA  71 PHE HB3 5.50 
 &rst iat=  206, 1122, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    15 VAL HA 4.63 
 &rst iat= 206, -1, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG1 2HG1    15 VAL HA 4.20 
 &rst iat= 206, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HA  15 VAL CB 3.17 
 &rst iat=  206, 207, r1= 2.67, r2= 3.17,
 r3= 7.57, r4= 8.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR HA  38 LYS H 3.04 
 &rst iat=  572, 584, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR HA  37 THR HB 3.02 
 &rst iat=  572, 574, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  43 HID H 2.88 
 &rst iat=  653, 667, r1= 2.38, r2= 2.88,
 r3= 2.88, r4= 3.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  42 VAL HA 3.56 
 &rst iat=  236, 653, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  42 VAL HA 4.92 
 &rst iat=  254, 653, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    42 VAL HA 3.43 
 &rst iat= 653, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    42 VAL HA 5.02 
 &rst iat= -1, 653, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER 3HB 2HB    8 SER HA 2.81 
 &rst iat= 94, -1, r1= 2.65, r2= 3.15, r3= 3.15, r4= 3.65,
 igr1= 0,  igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER HA  11 LYS HB2 3.74 
 &rst iat=  94, 143, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    17 VAL HA 3.52 
 &rst iat= 238, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 244, 243, 242,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HA  14 LYS HG3 3.36 
 &rst iat=  184, 190, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HA  15 VAL CB 5.21 
 &rst iat=  184, 207, r1= 4.71, r2= 5.21,
 r3= 9.61, r4= 10.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HA  14 LYS HG2 3.82 
 &rst iat=  184, 189, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL HA  70 ILE HA 3.43 
 &rst iat=  238, 1100, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    17 VAL HA 3.58 
 &rst iat= 238, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    31 LYS HA 3.37 
 &rst iat= 461, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS HA 3.60 
 &rst iat= 461, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 THR HA  66 THR HB 3.00 
 &rst iat=  1046, 1048, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  31 LYS HB3 3.70 
 &rst iat=  412, 464, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  31 LYS H 4.04 
 &rst iat=  412, 459, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  28 ARG HG3 3.56 
 &rst iat=  412, 418, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HA  28 ARG HG2 3.95 
 &rst iat=  412, 417, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    28 ARG HA 5.06 
 &rst iat= 412, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    28 ARG HA 4.14 
 &rst iat= -1, 412, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HA  87 ASP H 3.82 
 &rst iat=  1299, 1341, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HA  86 LEU H 4.60 
 &rst iat=  1299, 1322, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HA  87 ASP HB3 3.35 
 &rst iat=  1299, 1346, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    84 GLU HA 3.36 
 &rst iat= 1299, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HA  84 GLU HB3 2.92 
 &rst iat=  1299, 1302, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HG  84 GLU HA 4.31 
 &rst iat=  1285, 1299, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    84 GLU HA 4.14 
 &rst iat= -1, 1299, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    5 SER HA 5.49 
 &rst iat= 54, -1, r1= 6.09, r2= 6.59, r3= 6.59, r4= 7.09,
 igr1= 0,  igr2= 87, 88, 86,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 GLU HA  61 ALA H 4.59 
 &rst iat=  889, 959, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU HA  57 GLU HG2 4.00 
 &rst iat=  889, 894, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    57 GLU HA 5.40 
 &rst iat= 889, -1, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    57 GLU HA 5.39 
 &rst iat= -1, 889, r1= 5.97, r2= 6.47, r3= 6.47, r4= 6.97,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HD 2HD    28 ARG HA 4.38 
 &rst iat= 412, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    34 HID HA 3.00 
 &rst iat= 521, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    34 HID HA 4.41 
 &rst iat= 521, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  5 SER HA  6 ILE H 3.49 
 &rst iat=  54, 63, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    5 SER HA 4.44 
 &rst iat= 54, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  55 ARG HD2 4.23 
 &rst iat=  807, 866, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU HA 2.86 
 &rst iat= 807, -1, r1= 2.71, r2= 3.21, r3= 3.21, r4= 3.71,
 igr1= 0,  igr2= 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  52 GLU HG3 3.84 
 &rst iat=  807, 813, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    52 GLU HA 3.37 
 &rst iat= 807, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 861, 860,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  55 ARG HG2 4.82 
 &rst iat=  807, 863, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    45 VAL H 3.36 
 &rst iat= 705, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    51 GLY HA2 5.23 
 &rst iat= -1, 800, r1= 5.78, r2= 6.28, r3= 6.28, r4= 6.78,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG HD3 3.80 
 &rst iat= -1, 867, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP HE1 3.87 
 &rst iat= 293, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    44 TYR HA 4.60 
 &rst iat= 686, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    18 PHE HB3 4.43 
 &rst iat= 257, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    54 LEU HB2 5.09 
 &rst iat= -1, 841, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET HA  9 MET HG2 3.73 
 &rst iat=  105, 110, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB3  88 LYS HA 4.76 
 &rst iat=  1346, 1355, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS HA  90 GLY H 4.25 
 &rst iat=  1355, 1390, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS HA 2.85 
 &rst iat= 1355, -1, r1= 2.70, r2= 3.20, r3= 3.20, r4= 3.70,
 igr1= 0,  igr2= 1358, 1357,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    88 LYS HA 4.05 
 &rst iat= 1355, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HG 2HG    88 LYS HA 3.68 
 &rst iat= 1355, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 1361, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG HG3 4.32 
 &rst iat= -1, 864, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    63 LYS H 5.28 
 &rst iat= -1, 990, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 963, 964, 965,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR HA 5.19 
 &rst iat= -1, 971, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 963, 964, 965,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    58 ILE HA 4.31 
 &rst iat= 904, -1, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    61 ALA 1HB 2HB 3HB  4.39  
 &rst iat= -1, -1, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 946, 947,   igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN HA  53 GLN HG2 3.52 
 &rst iat=  822, 827, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HA 2.80 
 &rst iat= 822, -1, r1= 2.64, r2= 3.14, r3= 3.14, r4= 3.64,
 igr1= 0,  igr2= 825, 824,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  60 GLN HA 5.09 
 &rst iat=  923, 944, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HA  63 LYS HA 5.06 
 &rst iat=  944, 992, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HG 3HG    60 GLN HA 3.50 
 &rst iat= 944, -1, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    60 GLN HA 2.76 
 &rst iat= 944, -1, r1= 2.60, r2= 3.10, r3= 3.10, r4= 3.60,
 igr1= 0,  igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    36 ARG HA 4.72 
 &rst iat= -1, 548, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 540, 542, 541,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    35 ALA 1HB 3HB 2HB  3.39  
 &rst iat= -1, -1, r1= 3.57, r2= 4.07, r3= 8.47, r4= 8.97,
 igr1= 467, 466,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    29 ALA H 3.20 
 &rst iat= 434, -1, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 0,  igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HB2 4.99 
 &rst iat= -1, 1081, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    30 GLU HG3 4.91 
 &rst iat= -1, 452, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO 3HG 2HG  3.90  
 &rst iat= -1, -1, r1= 4.18, r2= 4.68, r3= 9.08, r4= 9.58,
 igr1= 438, 440, 439,   igr2= 1079, 1078,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    83 LEU 2HD2 3HD2 1HD2  3.66  
 &rst iat= -1, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 438, 440, 439,   igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    33 LEU HG 3.38 
 &rst iat= -1, 507, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    32 LEU HA 3.63 
 &rst iat= 483, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU HA  33 LEU HA 4.79 
 &rst iat=  483, 502, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  36 ARG H 4.13 
 &rst iat=  502, 546, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    33 LEU HA 4.25 
 &rst iat= -1, 502, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HA  33 LEU CG 3.05 
 &rst iat=  502, 506, r1= 2.55, r2= 3.05,
 r3= 7.45, r4= 7.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  33 LEU HG 4.27 
 &rst iat=  502, 507, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HA 4.89 
 &rst iat= 502, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    35 ALA 1HB 3HB 2HB  4.23  
 &rst iat= -1, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 523, 524,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    35 ALA 1HB 3HB 2HB  5.18  
 &rst iat= -1, -1, r1= 6.97, r2= 7.47, r3= 7.47, r4= 7.97,
 igr1= 491, 492, 490,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU HB2 4.35 
 &rst iat= -1, 891, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE H 3.97 
 &rst iat= 63, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 69, 70, 71,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    54 LEU HA 4.26 
 &rst iat= -1, 839, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    9 MET 1HE 2HE 3HE  4.48  
 &rst iat= -1, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 69, 70, 71,   igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE HG12 4.06 
 &rst iat= -1, 73, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    10 ILE 2HD1 1HD1 3HD1  4.58  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 69, 70, 71,   igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ASP HA  96 LEU HG 5.06 
 &rst iat=  1440, 1483, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    11 LYS 2HE 3HE  5.35  
 &rst iat= -1, -1, r1= 6.71, r2= 7.21, r3= 7.21, r4= 7.71,
 igr1= 87, 88, 86,   igr2= 152, 153,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    57 GLU HG3 4.94 
 &rst iat= -1, 895, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 87, 88, 86,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    10 ILE 2HG1 3HG1  5.04  
 &rst iat= -1, -1, r1= 6.29, r2= 6.79, r3= 6.79, r4= 7.29,
 igr1= 87, 88, 86,   igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    7 ALA 2HB 3HB 1HB  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 69, 70, 71,   igr2= 87, 88, 86,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    10 ILE 1HG2 2HG2 3HG2  5.45  
 &rst iat= -1, -1, r1= 7.36, r2= 7.86, r3= 7.86, r4= 8.36,
 igr1= 87, 88, 86,   igr2= 126, 127, 128,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HA  20 TRP H 3.20 
 &rst iat=  274, 283, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HA  68 PRO HB2 4.23 
 &rst iat=  274, 1081, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER HA 4.89 
 &rst iat= -1, 274, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ASP HA  95 LEU H 5.03 
 &rst iat=  1440, 1457, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HA  96 LEU H 3.87 
 &rst iat=  1440, 1476, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HA  93 ASP HB3 3.00 
 &rst iat=  1440, 1443, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HA  96 LEU HB2 3.73 
 &rst iat=  1440, 1480, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HG  93 ASP HA 4.66 
 &rst iat=  1426, 1440, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU HA  57 GLU H 4.21 
 &rst iat=  839, 887, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU HA  57 GLU HG2 4.97 
 &rst iat=  839, 894, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU HA 4.90 
 &rst iat= -1, 839, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HE2 HE1    76 PHE HA 4.70 
 &rst iat= 1193, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 0,  igr2= 1205, 1201,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HA  77 ILE H 3.00 
 &rst iat=  1193, 1211, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  86 LEU HG 3.60 
 &rst iat=  1324, 1329, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  86 LEU HB3 2.94 
 &rst iat=  1324, 1327, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  86 LEU HG 4.50 
 &rst iat=  1280, 1329, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  83 LEU HG 3.91 
 &rst iat=  1280, 1285, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU HA 4.98 
 &rst iat= 1280, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HA  92 LEU CG 3.56 
 &rst iat=  1280, 1425, r1= 3.06, r2= 3.56,
 r3= 7.96, r4= 8.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  91 LYS HB2 3.45 
 &rst iat=  1324, 1401, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  86 LEU CG 3.00 
 &rst iat=  1324, 1328, r1= 2.50, r2= 3.00,
 r3= 7.40, r4= 7.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU H 4.18 
 &rst iat=  1324, 1375, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  92 LEU HG 3.76 
 &rst iat=  1421, 1426, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  92 LEU HA 3.05 
 &rst iat=  1328, 1421, r1= 2.55, r2= 3.05,
 r3= 7.45, r4= 7.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    84 GLU H 4.76 
 &rst iat= 1297, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU H 3.55 
 &rst iat= -1, 1322, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU HA 5.02 
 &rst iat= -1, 1324, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    89 GLU HG3 4.72 
 &rst iat= -1, 1383, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU HG 4.35 
 &rst iat= -1, 1329, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    86 LEU CG 5.09 
 &rst iat= -1, 1328, r1= 5.61, r2= 6.11, r3= 10.51, r4= 11.01,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE H 5.28 
 &rst iat= 1137, -1, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 0,  igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER H  44 TYR HA 3.93 
 &rst iat=  272, 686, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HA  45 VAL H 2.92 
 &rst iat=  686, 705, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    44 TYR HA 4.57 
 &rst iat= 686, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    44 TYR HA 4.76 
 &rst iat= 686, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HD21 4.45 
 &rst iat= -1, 1165, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HD22 4.70 
 &rst iat= -1, 1166, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    72 ILE 3HG2 2HG2 1HG2  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 195, 196,   igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HB2 4.09 
 &rst iat= -1, 1160, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    95 LEU HB2 4.30 
 &rst iat= -1, 1461, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    14 LYS HG3 4.66 
 &rst iat= 190, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 1145, 1144, 1143,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE 3HG1 2HG1  3.51  
 &rst iat= -1, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 1145, 1144, 1143,   igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HA  19 SER H 2.97 
 &rst iat=  254, 272, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    18 PHE HA 5.34 
 &rst iat= 254, -1, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 ASP HA  85 ALA H 4.00 
 &rst iat=  1268, 1312, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    82 ASP HA 3.41 
 &rst iat= 1268, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    18 PHE HA 5.09 
 &rst iat= 254, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HA  43 HID H 3.95 
 &rst iat=  254, 667, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  43 HID HB2 4.46 
 &rst iat=  254, 671, r1= 3.96, r2= 4.46,
 r3= 4.46, r4= 4.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  43 HID HB3 3.78 
 &rst iat=  254, 672, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    18 PHE HA 4.35 
 &rst iat= 254, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE HA  41 THR H 2.88 
 &rst iat=  620, 637, r1= 2.38, r2= 2.88,
 r3= 2.88, r4= 3.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE HA  41 THR HB 4.75 
 &rst iat=  620, 641, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  40 ILE HA 4.67 
 &rst iat=  173, 620, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HB  40 ILE HA 3.12 
 &rst iat=  208, 620, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  40 ILE HA 3.94 
 &rst iat=  207, 620, r1= 3.44, r2= 3.94,
 r3= 8.34, r4= 8.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE HA 4.08 
 &rst iat= 620, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    40 ILE HA 4.09 
 &rst iat= 620, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    40 ILE HA 4.57 
 &rst iat= 620, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HE1 HE2    65 GLU HA 5.35 
 &rst iat= -1, 1031, r1= 5.51, r2= 6.01, r3= 6.01, r4= 6.51,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ASP HA  92 LEU H 3.60 
 &rst iat=  1343, 1419, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU HB2 3.37 
 &rst iat=  1343, 1423, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU CG 3.97 
 &rst iat=  1343, 1425, r1= 3.47, r2= 3.97,
 r3= 8.37, r4= 8.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU HB3 3.34 
 &rst iat=  1343, 1424, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    65 GLU HA 4.06 
 &rst iat= -1, 1031, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 GLU 2HG 3HG    65 GLU HA 3.50 
 &rst iat= 1031, -1, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 0,  igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET 3HE 2HE 1HE    54 LEU HG 4.18 
 &rst iat= -1, 844, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 768, 767, 766,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET 3HE 2HE 1HE    54 LEU 1HD2 2HD2 3HD2  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 768, 767, 766,   igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET 3HE 2HE 1HE    54 LEU 1HD1 2HD1 3HD1  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 768, 767, 766,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    6 ILE HA 5.33 
 &rst iat= 65, -1, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    18 PHE HD2 HD1  5.02  
 &rst iat= -1, -1, r1= 5.53, r2= 6.03, r3= 10.43, r4= 10.93,
 igr1= 114, 115, 116,   igr2= 268, 260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    18 PHE HE1 HE2  5.06  
 &rst iat= -1, -1, r1= 6.32, r2= 6.82, r3= 6.82, r4= 7.32,
 igr1= 114, 115, 116,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    9 MET HG3 3.85 
 &rst iat= 111, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    9 MET HG2 4.15 
 &rst iat= 110, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 1HE 2HE 3HE    6 ILE HB 3.98 
 &rst iat= 67, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 114, 115, 116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU HA  52 GLU H 3.73 
 &rst iat=  785, 805, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HA  95 LEU HG 3.71 
 &rst iat=  1459, 1464, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS HA 2.93 
 &rst iat= 992, -1, r1= 2.79, r2= 3.29, r3= 3.29, r4= 3.79,
 igr1= 0,  igr2= 994, 995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS HA  63 LYS HG2 3.85 
 &rst iat=  992, 997, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR HE1 HE2    63 LYS HA 4.56 
 &rst iat= -1, 992, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS 3HD 2HD    63 LYS HA 3.81 
 &rst iat= 992, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1001, 1000,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS HA  63 LYS HG3 4.06 
 &rst iat=  992, 998, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HA  91 LYS HB3 2.98 
 &rst iat=  1399, 1402, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HG 2HG    91 LYS HA 3.31 
 &rst iat= 1399, -1, r1= 3.22, r2= 3.72, r3= 3.72, r4= 4.22,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HA  71 PHE HA 5.03 
 &rst iat=  1100, 1119, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HA  89 GLU HG3 3.81 
 &rst iat=  1377, 1383, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HA  89 GLU HG2 3.28 
 &rst iat=  1377, 1382, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HA  89 GLU HB3 2.99 
 &rst iat=  1377, 1380, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  72 ILE H 2.93 
 &rst iat=  1119, 1137, r1= 2.43, r2= 2.93,
 r3= 2.93, r4= 3.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  76 PHE HA 3.53 
 &rst iat=  1119, 1193, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    71 PHE HA 5.08 
 &rst iat= -1, 1119, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 1105, 1104, 1106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    71 PHE HA 4.63 
 &rst iat= -1, 1119, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HD1 HD2    71 PHE HA 4.68 
 &rst iat= 1119, -1, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 0,  igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 HID HA  65 GLU HA 4.96 
 &rst iat=  1014, 1031, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HD 2HD    11 LYS HA 3.78 
 &rst iat= 141, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE HA  11 LYS HA 4.80 
 &rst iat=  122, 141, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HA  13 ASN H 4.64 
 &rst iat=  141, 168, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS HA 3.38 
 &rst iat= 141, -1, r1= 3.29, r2= 3.79, r3= 3.79, r4= 4.29,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    70 ILE H 4.68 
 &rst iat= 1098, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS HA  39 ASP H 3.48 
 &rst iat=  586, 606, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    38 LYS HA 3.36 
 &rst iat= 586, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 591, 592,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 ALA HA  88 LYS H 3.65 
 &rst iat=  1314, 1353, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA HA  86 LEU HA 4.87 
 &rst iat=  1314, 1324, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HE 2HE    85 ALA HA 4.92 
 &rst iat= 1314, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 1367, 1366,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HB 2HB    85 ALA HA 3.10 
 &rst iat= 1314, -1, r1= 2.98, r2= 3.48, r3= 3.48, r4= 3.98,
 igr1= 0,  igr2= 1358, 1357,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA HA  10 ILE H 4.52 
 &rst iat=  84, 120, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    7 ALA HA 3.55 
 &rst iat= 84, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    7 ALA HA 4.96 
 &rst iat= 84, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    68 PRO HB2 5.05 
 &rst iat= 1081, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU HB2 3.40 
 &rst iat= -1, 1282, r1= 3.58, r2= 4.08, r3= 4.08, r4= 4.58,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU 2HD2 3HD2 1HD2  3.60  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 1112, 1113, 1111,   igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE 2HD1 3HD1 1HD1  3.41  
 &rst iat= -1, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 1105, 1104, 1106,   igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HB3  85 ALA HA 4.97 
 &rst iat=  1302, 1314, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  32 LEU HB2 4.00 
 &rst iat=  436, 485, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    29 ALA HA 3.44 
 &rst iat= 436, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG13  7 ALA HA 4.33 
 &rst iat=  74, 84, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    41 THR H 4.46 
 &rst iat= -1, 637, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 625, 626, 624,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    34 HID HD2 5.34 
 &rst iat= 532, -1, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    41 THR HA 5.02 
 &rst iat= -1, 639, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 625, 626, 624,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    15 VAL HB 4.48 
 &rst iat= 208, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    33 LEU CG 3.93 
 &rst iat= 506, -1, r1= 4.22, r2= 4.72, r3= 9.12, r4= 9.62,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE 2HG1 3HG1  3.72  
 &rst iat= -1, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 625, 626, 624,   igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE 3HD1 1HD1 2HD1  3.53  
 &rst iat= -1, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 625, 626, 624,   igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HA 3.40 
 &rst iat= 735, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS HA  47 LYS HG2 3.44 
 &rst iat=  735, 740, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HA  47 LYS HG3 3.98 
 &rst iat=  735, 741, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  32 LEU HB3 3.86 
 &rst iat=  436, 486, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  32 LEU H 3.98 
 &rst iat=  436, 481, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  33 LEU HG 4.37 
 &rst iat=  436, 507, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    40 ILE H 5.30 
 &rst iat= 618, -1, r1= 5.86, r2= 6.36, r3= 6.36, r4= 6.86,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    15 VAL HB 4.48 
 &rst iat= 208, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HB2 3.97 
 &rst iat= 504, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HB3 3.17 
 &rst iat= 505, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    15 VAL CB 3.73 
 &rst iat= 207, -1, r1= 3.98, r2= 4.48, r3= 8.88, r4= 9.38,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU CG 3.98 
 &rst iat= 506, -1, r1= 4.28, r2= 4.78, r3= 9.18, r4= 9.68,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    42 VAL 3HG1 1HG1 2HG1  3.60  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 633, 631, 632,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HG 3HG    36 ARG HA 4.19 
 &rst iat= 548, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 553, 554,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HA  92 LEU CG 4.81 
 &rst iat=  548, 1425, r1= 4.31, r2= 4.81,
 r3= 9.21, r4= 9.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    46 ASP HA 5.17 
 &rst iat= -1, 723, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HG3  73 ASN HA 5.00 
 &rst iat=  190, 1158, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS 2HD 3HD    96 LEU HA 3.68 
 &rst iat= -1, 1478, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 192, 193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 LEU HA  96 LEU HG 3.70 
 &rst iat=  1478, 1483, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HA  73 ASN HA 3.98 
 &rst iat=  184, 1158, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HA  74 GLY HA2 5.04 
 &rst iat=  1158, 1172, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HA 4.76 
 &rst iat= -1, 1158, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS HA  39 ASP HA 4.58 
 &rst iat=  586, 608, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  39 ASP HA 5.15 
 &rst iat=  207, 608, r1= 4.65, r2= 5.15,
 r3= 9.55, r4= 10.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    39 ASP HA 4.88 
 &rst iat= 608, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    43 HID HA 4.95 
 &rst iat= 669, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HA  44 TYR HA 4.47 
 &rst iat=  285, 686, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  21 VAL H 3.00 
 &rst iat=  285, 307, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  45 VAL H 4.53 
 &rst iat=  285, 705, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HA  46 ASP HB2 4.45 
 &rst iat=  285, 725, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP HA 4.94 
 &rst iat= 285, -1, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 ASP HA  40 ILE HA 4.59 
 &rst iat=  608, 620, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS HB3  39 ASP HA 4.75 
 &rst iat=  589, 608, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID HA  44 TYR HA 4.76 
 &rst iat=  669, 686, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    43 HID HA 5.08 
 &rst iat= -1, 669, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    43 HID HA 4.79 
 &rst iat= -1, 669, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS HB2  39 ASP HA 5.48 
 &rst iat=  588, 608, r1= 4.98, r2= 5.48,
 r3= 5.48, r4= 5.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HB 3HB    61 ALA HA 4.42 
 &rst iat= -1, 961, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 946, 947,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    6 ILE H 5.38 
 &rst iat= 63, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 0,  igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    58 ILE H 4.98 
 &rst iat= -1, 902, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    18 PHE HE1 HE2  4.73  
 &rst iat= -1, -1, r1= 5.88, r2= 6.38, r3= 6.38, r4= 6.88,
 igr1= 78, 76, 77,   igr2= 262, 266,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    18 PHE HZ 4.20 
 &rst iat= -1, 264, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    57 GLU HB3 4.12 
 &rst iat= -1, 892, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    6 ILE HB 3.54 
 &rst iat= 67, -1, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 0,  igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU HB2 4.41 
 &rst iat= -1, 841, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE 3HD1 1HD1 2HD1  3.66  
 &rst iat= -1, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 69, 70, 71,   igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU 1HD1 2HD1 3HD1  4.02  
 &rst iat= -1, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 78, 76, 77,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    10 ILE 2HD1 1HD1 3HD1  4.91  
 &rst iat= -1, -1, r1= 6.58, r2= 7.08, r3= 7.08, r4= 7.58,
 igr1= 78, 76, 77,   igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    57 GLU HB2 4.61 
 &rst iat= -1, 891, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    35 ALA HA 4.41 
 &rst iat= -1, 538, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 523, 524,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    72 ILE H 5.33 
 &rst iat= 1137, -1, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 0,  igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    72 ILE HA 4.89 
 &rst iat= 1139, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    95 LEU HB2 4.84 
 &rst iat= -1, 1461, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 1150, 1152, 1151,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    96 LEU HG 5.21 
 &rst iat= -1, 1483, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 1150, 1152, 1151,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    72 ILE HB 3.15 
 &rst iat= 1141, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    72 ILE 1HD1 3HD1 2HD1  3.12  
 &rst iat= -1, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 1145, 1144, 1143,   igr2= 1150, 1152, 1151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    58 ILE H 4.65 
 &rst iat= 902, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HE1 HE2    58 ILE 2HD1 1HD1 3HD1  4.77  
 &rst iat= -1, -1, r1= 5.93, r2= 6.43, r3= 6.43, r4= 6.93,
 igr1= 262, 266,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    58 ILE HA 5.14 
 &rst iat= 904, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    58 ILE HB 3.88 
 &rst iat= 906, -1, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    58 ILE 2HD1 1HD1 3HD1  4.81  
 &rst iat= -1, -1, r1= 6.44, r2= 6.94, r3= 6.94, r4= 7.44,
 igr1= 69, 70, 71,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    58 ILE 2HD1 1HD1 3HD1  3.95  
 &rst iat= -1, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 910, 908, 909,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    58 ILE 2HD1 1HD1 3HD1  4.15  
 &rst iat= -1, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 78, 76, 77,   igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 ASN HA  76 PHE H 3.16 
 &rst iat=  1179, 1191, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ALA HA  70 ILE H 2.92 
 &rst iat=  1090, 1098, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO 3HD 2HD    25 TYR H 4.66 
 &rst iat= -1, 362, r1= 4.73, r2= 5.23, r3= 5.23, r4= 5.73,
 igr1= 350, 349,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN HA  14 LYS H 2.94 
 &rst iat=  170, 182, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HA  14 LYS HB2 4.42 
 &rst iat=  170, 186, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HA  15 VAL H 4.67 
 &rst iat=  170, 204, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN HA 4.81 
 &rst iat= 170, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 GLY H  13 ASN HA 5.37 
 &rst iat=  161, 170, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB3  68 PRO HD3 4.29 
 &rst iat=  367, 1076, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  68 PRO HD3 4.43 
 &rst iat=  366, 1076, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    68 PRO HD3 5.50 
 &rst iat= 1076, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HD3 5.27 
 &rst iat= -1, 1076, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HB3  68 PRO HD2 4.21 
 &rst iat=  367, 1075, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  68 PRO HD2 4.60 
 &rst iat=  366, 1075, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HD2 5.38 
 &rst iat= -1, 1075, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 MET H  51 GLY HA3 4.75 
 &rst iat=  755, 801, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HB  51 GLY HA3 3.45 
 &rst iat=  709, 801, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    51 GLY HA3 4.47 
 &rst iat= -1, 801, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    51 GLY HA3 4.66 
 &rst iat= 801, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HA  51 GLY HA2 4.03 
 &rst iat=  707, 800, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HB  51 GLY HA2 3.36 
 &rst iat=  709, 800, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA2  54 LEU HG 4.72 
 &rst iat=  800, 844, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    51 GLY HA2 4.03 
 &rst iat= -1, 800, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    51 GLY HA2 3.97 
 &rst iat= 800, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 GLY HA2  54 LEU H 4.45 
 &rst iat=  800, 837, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 GLY 2HA 3HA    56 GLY H 2.90 
 &rst iat= 880, -1, r1= 2.76, r2= 3.26, r3= 3.26, r4= 3.76,
 igr1= 0,  igr2= 882, 883,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    59 TYR 2HB 3HB  3.46  
 &rst iat= -1, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 882, 883,   igr2= 925, 926,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    60 GLN 2HB 3HB  4.74  
 &rst iat= -1, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 882, 883,   igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG 3HB 2HB    56 GLY 2HA 3HA  4.39  
 &rst iat= -1, -1, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 861, 860,   igr2= 882, 883,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    59 TYR HD2 HD1  5.05  
 &rst iat= -1, -1, r1= 5.17, r2= 5.67, r3= 10.07, r4= 10.57,
 igr1= 882, 883,   igr2= 938, 929,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ASP HB2  94 GLY HA2 4.83 
 &rst iat=  1442, 1452, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY HA2  96 LEU H 4.27 
 &rst iat=  1452, 1476, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLY 3HA 2HA    89 GLU HA 4.19 
 &rst iat= 1377, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1393, 1392,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HB3  74 GLY HA2 4.88 
 &rst iat=  1122, 1172, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HG 2HG    74 GLY HA3 5.02 
 &rst iat= -1, 1173, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 147, 146,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    74 GLY HA3 4.83 
 &rst iat= -1, 1173, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE HB  74 GLY HA3 4.55 
 &rst iat=  124, 1173, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HB  74 GLY HA2 3.98 
 &rst iat=  124, 1172, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HG 2HG    74 GLY HA2 4.82 
 &rst iat= -1, 1172, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 147, 146,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    74 GLY HA2 4.35 
 &rst iat= -1, 1172, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    74 GLY HA2 4.36 
 &rst iat= -1, 1172, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 130, 131,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HB 2HB    28 ARG 3HD 2HD  3.67  
 &rst iat= -1, -1, r1= 3.62, r2= 4.12, r3= 8.52, r4= 9.02,
 igr1= 415, 414,   igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HD 2HD    25 TYR HA 4.35 
 &rst iat= 364, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 GLY HA2  79 GLY HA3 4.76 
 &rst iat=  1232, 1240, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLY HA3  79 GLY H 3.48 
 &rst iat=  1233, 1237, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE HE2 HE1    78 GLY HA3 4.26 
 &rst iat= -1, 1233, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 1205, 1201,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG HD2 4.19 
 &rst iat= -1, 866, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HE1  55 ARG HD2 5.02 
 &rst iat=  293, 866, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    55 ARG HD2 3.60 
 &rst iat= -1, 866, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 861, 860,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG H  55 ARG HD3 5.09 
 &rst iat=  856, 867, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HE1  55 ARG HD3 4.54 
 &rst iat=  293, 867, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU HA  55 ARG HD3 4.52 
 &rst iat=  807, 867, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    55 ARG HD3 3.72 
 &rst iat= -1, 867, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 861, 860,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    79 GLY HA2 4.39 
 &rst iat= -1, 1239, r1= 4.77, r2= 5.27, r3= 5.27, r4= 5.77,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    79 GLY HA3 4.78 
 &rst iat= -1, 1240, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HB  55 ARG HD3 4.88 
 &rst iat=  709, 867, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  86 LEU HB2 3.99 
 &rst iat=  1280, 1326, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB2  92 LEU CG 3.40 
 &rst iat=  1326, 1425, r1= 2.90, r2= 3.40,
 r3= 7.80, r4= 8.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  95 LEU HB2 5.11 
 &rst iat=  1419, 1461, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB3  92 LEU H 3.72 
 &rst iat=  1327, 1419, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB3  87 ASP H 4.22 
 &rst iat=  1327, 1341, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  95 LEU HB2 3.87 
 &rst iat=  1421, 1461, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB2  96 LEU HG 4.77 
 &rst iat=  1461, 1483, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB2  95 LEU CG 3.35 
 &rst iat=  1461, 1463, r1= 2.85, r2= 3.35,
 r3= 7.75, r4= 8.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  95 LEU HB3 4.47 
 &rst iat=  1421, 1462, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB3  95 LEU CG 3.28 
 &rst iat=  1462, 1463, r1= 2.78, r2= 3.28,
 r3= 7.68, r4= 8.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 1HD1 3HD1 2HD1    95 LEU HB3 4.56 
 &rst iat= -1, 1462, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 1150, 1152, 1151,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HB2  33 LEU CG 3.94 
 &rst iat=  504, 506, r1= 3.44, r2= 3.94,
 r3= 8.34, r4= 8.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU HB3 3.93 
 &rst iat=  1476, 1481, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU HB3  96 LEU CG 3.61 
 &rst iat=  1481, 1482, r1= 3.11, r2= 3.61,
 r3= 8.01, r4= 8.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    38 LYS 2HE 3HE  3.65  
 &rst iat= -1, -1, r1= 3.60, r2= 4.10, r3= 8.50, r4= 9.00,
 igr1= 591, 592,   igr2= 597, 598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS 2HE 3HE    37 THR HA 4.84 
 &rst iat= 572, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 597, 598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    91 LYS HA 4.67 
 &rst iat= 1399, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    89 GLU HG2 5.44 
 &rst iat= 1382, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    89 GLU HB3 4.06 
 &rst iat= 1380, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 LEU HB2  96 LEU CG 3.50 
 &rst iat=  1480, 1482, r1= 3.00, r2= 3.50,
 r3= 7.90, r4= 8.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    32 LEU HB2 4.96 
 &rst iat= -1, 485, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 467, 466,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL CB  96 LEU HB3 5.10 
 &rst iat=  207, 1481, r1= 4.60, r2= 5.10,
 r3= 9.50, r4= 10.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HA  71 PHE HB2 4.91 
 &rst iat=  122, 1121, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HB  71 PHE HB2 3.51 
 &rst iat=  224, 1121, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    71 PHE HB2 5.11 
 &rst iat= -1, 1121, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    71 PHE HB2 5.25 
 &rst iat= -1, 1121, r1= 5.80, r2= 6.30, r3= 6.30, r4= 6.80,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    71 PHE HB2 4.70 
 &rst iat= -1, 1121, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS 3HE 2HE  2.87  
 &rst iat= -1, -1, r1= 2.72, r2= 3.22, r3= 7.62, r4= 8.12,
 igr1= 470, 469,   igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS 3HE 2HE  3.39  
 &rst iat= -1, -1, r1= 3.31, r2= 3.81, r3= 8.21, r4= 8.71,
 igr1= 467, 466,   igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS 3HE 2HE  3.70  
 &rst iat= -1, -1, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 406, 405, 404,   igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    86 LEU HB3 4.60 
 &rst iat= 1327, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    87 ASP HB3 4.71 
 &rst iat= -1, 1346, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE H  71 PHE HB3 4.08 
 &rst iat=  1117, 1122, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HB  71 PHE HB3 3.95 
 &rst iat=  224, 1122, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    71 PHE HB3 5.33 
 &rst iat= -1, 1122, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    71 PHE HB3 5.49 
 &rst iat= -1, 1122, r1= 6.09, r2= 6.59, r3= 6.59, r4= 7.09,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    71 PHE HB3 4.56 
 &rst iat= -1, 1122, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB2  87 ASP HB2 4.85 
 &rst iat=  1326, 1345, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB2  92 LEU HB2 4.38 
 &rst iat=  1345, 1423, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB2  88 LYS H 3.83 
 &rst iat=  1345, 1353, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HA  87 ASP HB2 3.87 
 &rst iat=  1299, 1345, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB2  92 LEU HB3 4.67 
 &rst iat=  1345, 1424, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    87 ASP HB2 4.52 
 &rst iat= -1, 1345, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ASP HB2  92 LEU CG 3.51 
 &rst iat=  1345, 1425, r1= 3.01, r2= 3.51,
 r3= 7.91, r4= 8.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU HB3 5.04 
 &rst iat= 1283, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    83 LEU HB3 5.05 
 &rst iat= -1, 1283, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU HB3 3.70 
 &rst iat= 1283, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU HB3 4.29 
 &rst iat= -1, 1283, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU HB3  33 LEU H 4.04 
 &rst iat=  486, 500, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    32 LEU HB3 4.50 
 &rst iat= 486, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HE 2HE    32 LEU HB2 3.79 
 &rst iat= -1, 485, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 473, 472,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HB2  84 GLU H 4.22 
 &rst iat=  1282, 1297, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU HB2 3.92 
 &rst iat= 1282, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 2HE 3HE    8 SER HA 4.32 
 &rst iat= 94, -1, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 0,  igr2= 152, 153,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS HB3  47 LYS HE2 5.01 
 &rst iat=  738, 746, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HE 2HE    32 LEU 2HD2 3HD2 1HD2  4.16  
 &rst iat= -1, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 473, 472,   igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS HA  47 LYS HE2 4.92 
 &rst iat=  735, 746, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HB3  47 LYS HE3 4.78 
 &rst iat=  738, 747, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB3  92 LEU CG 3.90 
 &rst iat=  1346, 1425, r1= 3.40, r2= 3.90,
 r3= 8.30, r4= 8.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG HB2 3.67 
 &rst iat= 550, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG HA 3.01 
 &rst iat= 548, -1, r1= 2.88, r2= 3.38, r3= 3.38, r4= 3.88,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HD 3HD    92 LEU CG 3.61 
 &rst iat= -1, 1425, r1= 3.55, r2= 4.05, r3= 8.45, r4= 8.95,
 igr1= 556, 557,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE HB  41 THR H 4.55 
 &rst iat=  622, 637, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  40 ILE HB 3.81 
 &rst iat=  207, 622, r1= 3.31, r2= 3.81,
 r3= 8.21, r4= 8.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    40 ILE HB 3.80 
 &rst iat= 622, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    39 ASP HB2 4.46 
 &rst iat= -1, 610, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS H 4.98 
 &rst iat= 182, -1, r1= 5.09, r2= 5.59, r3= 5.59, r4= 6.09,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    96 LEU HA 4.04 
 &rst iat= -1, 1478, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HA 4.75 
 &rst iat= 184, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    39 ASP HB3 4.37 
 &rst iat= -1, 611, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HB3 3.93 
 &rst iat= 187, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    15 VAL CB 4.53 
 &rst iat= -1, 207, r1= 4.58, r2= 5.08, r3= 9.48, r4= 9.98,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 GLY H  82 ASP HB3 3.91 
 &rst iat=  1237, 1271, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    82 ASP HB3 4.95 
 &rst iat= 1271, -1, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    73 ASN HD22 4.95 
 &rst iat= -1, 1166, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HB2 3.36 
 &rst iat= 186, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS H  92 LEU HB3 4.91 
 &rst iat=  1397, 1424, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB3  92 LEU CG 3.49 
 &rst iat=  1424, 1425, r1= 2.99, r2= 3.49,
 r3= 7.89, r4= 8.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  92 LEU HB2 4.92 
 &rst iat=  1397, 1423, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB2  92 LEU HB2 4.03 
 &rst iat=  1326, 1423, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HG2  39 ASP HB2 5.11 
 &rst iat=  189, 610, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  39 ASP HB2 5.42 
 &rst iat=  207, 610, r1= 4.92, r2= 5.42,
 r3= 9.82, r4= 10.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP H  39 ASP HB3 3.62 
 &rst iat=  606, 611, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HB3  40 ILE HA 5.50 
 &rst iat=  611, 620, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB3  39 ASP HB3 3.63 
 &rst iat=  187, 611, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB2  39 ASP HB3 4.04 
 &rst iat=  186, 611, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HB  73 ASN HB2 5.01 
 &rst iat=  1141, 1160, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    13 ASN HB3 5.15 
 &rst iat= 173, -1, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN HB3  41 THR HB 4.29 
 &rst iat=  173, 641, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB2  41 THR H 4.73 
 &rst iat=  172, 637, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    13 ASN HB2 5.10 
 &rst iat= 172, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN HB2  41 THR HB 4.18 
 &rst iat=  172, 641, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN HB2 3.86 
 &rst iat= 172, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    54 LEU HB3 4.54 
 &rst iat= -1, 842, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU HB3  55 ARG H 3.97 
 &rst iat=  842, 856, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU H  54 LEU HB3 3.63 
 &rst iat=  837, 842, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA2  54 LEU HB3 4.31 
 &rst iat=  800, 842, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    54 LEU HB3 3.81 
 &rst iat= -1, 842, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    54 LEU HB2 5.11 
 &rst iat= -1, 841, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 713, 712, 711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 GLY HA2  54 LEU HB2 4.83 
 &rst iat=  800, 841, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    54 LEU HB2 3.76 
 &rst iat= 841, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU HB2 4.17 
 &rst iat= 841, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HB  71 PHE HA 5.23 
 &rst iat=  1102, 1119, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    70 ILE HB 5.37 
 &rst iat= -1, 1102, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    70 ILE HB 3.26 
 &rst iat= 1102, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 ASN HB2  75 ASN HD22 3.78 
 &rst iat=  1181, 1187, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN HB2  76 PHE H 4.74 
 &rst iat=  1181, 1191, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN HB3  75 ASN HD22 3.91 
 &rst iat=  1182, 1187, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HB  75 ASN HB3 4.91 
 &rst iat=  1141, 1182, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE HB  77 ILE H 4.97 
 &rst iat=  1102, 1211, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    18 PHE HB2 5.21 
 &rst iat= 256, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    18 PHE HB2 4.49 
 &rst iat= 256, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    18 PHE HB2 4.60 
 &rst iat= 256, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    18 PHE HB3 4.81 
 &rst iat= 257, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 916, 915, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE H  18 PHE HB3 4.04 
 &rst iat=  252, 257, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HB2  19 SER H 5.03 
 &rst iat=  256, 272, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL HA  18 PHE HB2 4.98 
 &rst iat=  238, 256, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HE2 HE1    76 PHE HB3 4.99 
 &rst iat= -1, 1196, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 984, 979,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 HID 2HB 3HB    62 TYR HB2 4.42 
 &rst iat= 973, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1016, 1017,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  62 TYR HB2 5.50 
 &rst iat=  923, 973, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HG3  33 LEU CG 5.45 
 &rst iat=  452, 506, r1= 4.95, r2= 5.45,
 r3= 9.85, r4= 10.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HA  30 GLU HG3 4.82 
 &rst iat=  385, 452, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    30 GLU HG3 4.52 
 &rst iat= 452, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    30 GLU HG3 5.14 
 &rst iat= 452, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    30 GLU HG2 4.74 
 &rst iat= -1, 451, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU HG2  33 LEU CG 5.40 
 &rst iat=  451, 506, r1= 4.90, r2= 5.40,
 r3= 9.80, r4= 10.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    30 GLU HG2 4.78 
 &rst iat= 451, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  58 ILE HB 3.74 
 &rst iat=  858, 906, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    60 GLN HA 4.81 
 &rst iat= -1, 944, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU H 5.06 
 &rst iat= 1278, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA HA  10 ILE HB 4.81 
 &rst iat=  84, 124, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HB  11 LYS H 4.71 
 &rst iat=  124, 139, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    10 ILE HB 3.54 
 &rst iat= 124, -1, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU HG 5.03 
 &rst iat= 1285, -1, r1= 5.15, r2= 5.65, r3= 5.65, r4= 6.15,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    84 GLU HB3 2.51 
 &rst iat= 1302, -1, r1= 2.32, r2= 2.82, r3= 2.82, r4= 3.32,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    84 GLU 3HG 2HG  5.28  
 &rst iat= -1, -1, r1= 5.84, r2= 6.34, r3= 10.74, r4= 11.24,
 igr1= 1292, 1293, 1291,   igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU 3HG 2HG    83 LEU HB2 5.17 
 &rst iat= 1282, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ASN HB3  73 ASN HD21 4.03 
 &rst iat=  1161, 1165, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    73 ASN HB3 4.74 
 &rst iat= -1, 1161, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ASN HB2  75 ASN H 4.79 
 &rst iat=  1160, 1177, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HB2  75 ASN HD22 4.75 
 &rst iat=  1160, 1187, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HB2  73 ASN HD21 3.38 
 &rst iat=  1160, 1165, r1= 2.88, r2= 3.38,
 r3= 3.38, r4= 3.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HB  18 PHE HZ 4.95 
 &rst iat=  67, 264, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE H  6 ILE HB 3.96 
 &rst iat=  63, 67, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    6 ILE HB 4.49 
 &rst iat= 67, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 GLU 2HG 3HG    64 HID HA 4.89 
 &rst iat= 1014, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HB  54 LEU HB3 4.27 
 &rst iat=  67, 842, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU HG2 5.50 
 &rst iat= -1, 894, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    57 GLU HG2 5.50 
 &rst iat= -1, 894, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 846, 847, 848,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU HA  52 GLU HG2 4.05 
 &rst iat=  807, 812, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU H  52 GLU HG2 4.15 
 &rst iat=  805, 812, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU HG2 2.96 
 &rst iat= -1, 812, r1= 2.82, r2= 3.32, r3= 3.32, r4= 3.82,
 igr1= 809, 810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU H  89 GLU HG2 4.02 
 &rst iat=  1375, 1382, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU H  52 GLU HG3 3.98 
 &rst iat=  805, 813, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU HA  57 GLU HG3 3.60 
 &rst iat=  889, 895, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA HA  89 GLU HG3 5.05 
 &rst iat=  1314, 1383, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU HG3 4.97 
 &rst iat=  1324, 1383, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU HG2 5.12 
 &rst iat=  1324, 1382, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU 2HG 3HG    50 GLU HA 3.97 
 &rst iat= 785, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    50 GLU HB3 2.42 
 &rst iat= 788, -1, r1= 2.22, r2= 2.72, r3= 2.72, r4= 3.22,
 igr1= 0,  igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    54 LEU 1HD2 2HD2 3HD2  4.72  
 &rst iat= -1, -1, r1= 5.17, r2= 5.67, r3= 10.07, r4= 10.57,
 igr1= 790, 791,   igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    54 LEU 1HD1 2HD1 3HD1  5.11  
 &rst iat= -1, -1, r1= 5.64, r2= 6.14, r3= 10.54, r4= 11.04,
 igr1= 790, 791,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER 2HB 3HB    50 GLU 2HG 3HG  5.01  
 &rst iat= -1, -1, r1= 5.12, r2= 5.62, r3= 10.02, r4= 10.52,
 igr1= 776, 777,   igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HB3  45 VAL H 4.75 
 &rst iat=  689, 705, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS HB2 4.31 
 &rst iat=  689, 737, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS HG3 4.38 
 &rst iat=  689, 741, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS HB3 4.73 
 &rst iat=  688, 738, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS HG3 4.72 
 &rst iat=  688, 741, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS HB2 4.10 
 &rst iat=  688, 737, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS 2HD 3HD    44 TYR HB2 4.93 
 &rst iat= 688, -1, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HB2  47 LYS HG2 4.81 
 &rst iat=  688, 740, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL HB  18 PHE H 5.14 
 &rst iat=  240, 252, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    16 VAL HB 4.81 
 &rst iat= -1, 224, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    10 ILE 2HD1 1HD1 3HD1  5.46  
 &rst iat= -1, -1, r1= 6.86, r2= 7.36, r3= 7.36, r4= 7.86,
 igr1= 107, 108,   igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    6 ILE HA 4.00 
 &rst iat= 65, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 107, 108,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB3  91 LYS HB2 4.27 
 &rst iat=  1327, 1401, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HA  68 PRO HB3 4.54 
 &rst iat=  385, 1082, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 PRO HB3  69 ALA H 3.95 
 &rst iat=  1082, 1088, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    68 PRO HB3 5.40 
 &rst iat= -1, 1082, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    57 GLU HA 4.30 
 &rst iat= 889, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    59 TYR H 4.89 
 &rst iat= 921, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HG2 2.68 
 &rst iat= -1, 827, r1= 2.51, r2= 3.01, r3= 3.01, r4= 3.51,
 igr1= 825, 824,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN HG3  54 LEU H 5.05 
 &rst iat=  828, 837, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN H  53 GLN HG3 4.61 
 &rst iat=  820, 828, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HG3 2.81 
 &rst iat= -1, 828, r1= 2.65, r2= 3.15, r3= 3.15, r4= 3.65,
 igr1= 825, 824,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN HA  53 GLN HG3 4.02 
 &rst iat=  822, 828, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HE 3HE    38 LYS HB2 5.18 
 &rst iat= 588, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 597, 598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HE2 HE1    42 VAL HB 4.99 
 &rst iat= 655, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET H  9 MET HG3 4.19 
 &rst iat=  103, 111, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  9 MET HG3 4.68 
 &rst iat=  65, 111, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HB  40 ILE HB 4.09 
 &rst iat=  208, 622, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS HB2 4.00 
 &rst iat= 463, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS HB2  32 LEU H 3.91 
 &rst iat=  463, 481, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HE 2HE    31 LYS HB3 4.90 
 &rst iat= 464, -1, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 0,  igr2= 473, 472,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS HB3  32 LEU H 3.58 
 &rst iat=  464, 481, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG HB3 3.87 
 &rst iat= 551, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HA  36 ARG HB2 4.38 
 &rst iat=  502, 550, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    36 ARG HB2 4.77 
 &rst iat= -1, 550, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HB2  92 LEU CG 3.91 
 &rst iat=  550, 1425, r1= 3.41, r2= 3.91,
 r3= 8.31, r4= 8.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU 2HG 3HG    65 GLU HB3 2.73 
 &rst iat= 1034, -1, r1= 2.56, r2= 3.06, r3= 3.06, r4= 3.56,
 igr1= 0,  igr2= 1036, 1037,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HB3  92 LEU CG 3.25 
 &rst iat=  551, 1425, r1= 2.75, r2= 3.25,
 r3= 7.65, r4= 8.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO HB3  25 TYR H 4.57 
 &rst iat=  356, 362, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HB 2HB    89 GLU H 3.86 
 &rst iat= -1, 1375, r1= 3.83, r2= 4.33, r3= 4.33, r4= 4.83,
 igr1= 1358, 1357,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS 3HE 2HE  4.52  
 &rst iat= -1, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1358, 1357,   igr2= 1367, 1366,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HD 2HD    11 LYS HB2 3.37 
 &rst iat= 143, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 HID HB2  44 TYR H 4.70 
 &rst iat=  671, 684, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    43 HID HB2 4.59 
 &rst iat= 671, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    43 HID HB3 4.97 
 &rst iat= 672, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    43 HID HB3 5.37 
 &rst iat= -1, 672, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HB3  15 VAL CB 4.35 
 &rst iat=  187, 207, r1= 3.85, r2= 4.35,
 r3= 8.75, r4= 9.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB2  15 VAL CB 5.15 
 &rst iat=  186, 207, r1= 4.65, r2= 5.15,
 r3= 9.55, r4= 10.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    45 VAL HB 5.39 
 &rst iat= 709, -1, r1= 5.97, r2= 6.47, r3= 6.47, r4= 6.97,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    28 ARG 3HB 2HB  5.35  
 &rst iat= -1, -1, r1= 6.71, r2= 7.21, r3= 7.21, r4= 7.71,
 igr1= 406, 405, 404,   igr2= 415, 414,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HB 2HB    29 ALA H 3.83 
 &rst iat= -1, 434, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 415, 414,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ARG 3HB 2HB    28 ARG H 3.25 
 &rst iat= 410, -1, r1= 3.15, r2= 3.65, r3= 3.65, r4= 4.15,
 igr1= 0,  igr2= 415, 414,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU HB3  90 GLY H 4.84 
 &rst iat=  1380, 1390, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HA  89 GLU HB3 4.50 
 &rst iat=  1324, 1380, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HD 2HD    89 GLU HB3 4.57 
 &rst iat= 1380, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HE 2HE    89 GLU HB2 4.71 
 &rst iat= 1379, -1, r1= 4.79, r2= 5.29, r3= 5.29, r4= 5.79,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU HB2  91 LYS H 4.81 
 &rst iat=  1379, 1397, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG 3HB 2HB    29 ALA 1HB 3HB 2HB  4.78  
 &rst iat= -1, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 415, 414,   igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    40 ILE 2HG2 3HG2 1HG2  5.15  
 &rst iat= -1, -1, r1= 6.44, r2= 6.94, r3= 6.94, r4= 7.44,
 igr1= 523, 524,   igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    40 ILE 3HD1 1HD1 2HD1  5.31  
 &rst iat= -1, -1, r1= 6.66, r2= 7.16, r3= 7.16, r4= 7.66,
 igr1= 523, 524,   igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID 2HB 3HB    34 HID HD2 3.87 
 &rst iat= -1, 532, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 523, 524,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG12  57 GLU HB2 4.55 
 &rst iat=  73, 891, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU HB3 5.43 
 &rst iat= -1, 892, r1= 6.02, r2= 6.52, r3= 6.52, r4= 7.02,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU HB2 5.50 
 &rst iat= -1, 1301, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER HB3 5.16 
 &rst iat= -1, 277, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB3  26 CYS HA 4.98 
 &rst iat=  277, 385, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HB3  26 CYS HB3 4.00 
 &rst iat=  277, 388, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    19 SER HB3 4.17 
 &rst iat= 277, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB2  20 TRP H 4.18 
 &rst iat=  276, 283, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  19 SER HB2 5.50 
 &rst iat=  254, 276, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    42 VAL 3HG1 1HG1 2HG1  5.01  
 &rst iat= -1, -1, r1= 6.25, r2= 6.75, r3= 6.75, r4= 7.25,
 igr1= 448, 449,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU 2HB 3HB    34 HID HD2 4.48 
 &rst iat= -1, 532, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 448, 449,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU H  84 GLU HB3 3.65 
 &rst iat=  1297, 1302, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU HB3  85 ALA H 4.05 
 &rst iat=  1302, 1312, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU H  84 GLU HB2 3.78 
 &rst iat=  1297, 1301, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG 3HB 2HB  5.06  
 &rst iat= -1, -1, r1= 6.32, r2= 6.82, r3= 6.82, r4= 7.32,
 igr1= 717, 716, 715,   igr2= 861, 860,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB2  26 CYS HB3 5.19 
 &rst iat=  276, 388, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS 2HD 3HD    14 LYS HB3 3.47 
 &rst iat= 187, -1, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 0,  igr2= 192, 193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    14 LYS H 4.98 
 &rst iat= 182, -1, r1= 5.09, r2= 5.59, r3= 5.59, r4= 6.09,
 igr1= 0,  igr2= 192, 193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS H 4.54 
 &rst iat= 459, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    14 LYS HA 5.19 
 &rst iat= 184, -1, r1= 5.33, r2= 5.83, r3= 5.83, r4= 6.33,
 igr1= 0,  igr2= 192, 193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    39 ASP HB3 5.13 
 &rst iat= -1, 611, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 192, 193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HD 3HD    15 VAL CB 4.80 
 &rst iat= -1, 207, r1= 4.89, r2= 5.39, r3= 9.79, r4= 10.29,
 igr1= 192, 193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS HA 4.24 
 &rst iat= 461, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HD 2HD    91 LYS HB3 3.20 
 &rst iat= 1402, -1, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HD 2HD    31 LYS HB3 3.28 
 &rst iat= 464, -1, r1= 3.18, r2= 3.68, r3= 3.68, r4= 4.18,
 igr1= 0,  igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    88 LYS H 4.69 
 &rst iat= 1353, -1, r1= 4.76, r2= 5.26, r3= 5.26, r4= 5.76,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    85 ALA HA 4.19 
 &rst iat= 1314, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    84 GLU HB3 4.47 
 &rst iat= 1302, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS 3HD 2HD  3.06  
 &rst iat= -1, -1, r1= 2.93, r2= 3.43, r3= 7.83, r4= 8.33,
 igr1= 1358, 1357,   igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HG 2HG    88 LYS 3HD 2HD  2.52  
 &rst iat= -1, -1, r1= 2.33, r2= 2.83, r3= 7.23, r4= 7.73,
 igr1= 1361, 1360,   igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HD 2HD    87 ASP HA 4.74 
 &rst iat= 1343, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 1364, 1363,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HD 2HD    91 LYS HA 4.33 
 &rst iat= 1399, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HD 2HD    86 LEU CG 3.90 
 &rst iat= 1328, -1, r1= 3.88, r2= 4.38, r3= 8.78, r4= 9.28,
 igr1= 0,  igr2= 1408, 1407,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  96 LEU CG 4.09 
 &rst iat=  574, 1482, r1= 3.59, r2= 4.09,
 r3= 8.49, r4= 8.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    50 GLU HA 4.87 
 &rst iat= 785, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU HG3 2.98 
 &rst iat= -1, 813, r1= 2.84, r2= 3.34, r3= 3.34, r4= 3.84,
 igr1= 809, 810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  96 LEU HB3 4.63 
 &rst iat=  574, 1481, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS 3HE 2HE  5.05  
 &rst iat= -1, -1, r1= 5.86, r2= 6.36, r3= 6.36, r4= 6.86,
 igr1= 994, 995,   igr2= 1004, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 LYS 2HD 3HD    38 LYS HA 4.53 
 &rst iat= 586, -1, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 0,  igr2= 594, 595,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE 2HG1 3HG1  3.11  
 &rst iat= -1, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 1105, 1104, 1106,   igr2= 1108, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER 2HB 3HB    50 GLU HB2 4.44 
 &rst iat= -1, 787, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 776, 777,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    61 ALA H 3.40 
 &rst iat= -1, 959, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 946, 947,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    57 GLU HA 3.39 
 &rst iat= 889, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HB3 3.73 
 &rst iat= 738, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HB2 3.77 
 &rst iat= 737, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS H 4.81 
 &rst iat= 733, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    44 TYR HB3 4.56 
 &rst iat= 689, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS 2HD 3HD    47 LYS HG3 2.73 
 &rst iat= 741, -1, r1= 2.56, r2= 3.06, r3= 3.06, r4= 3.56,
 igr1= 0,  igr2= 743, 744,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP H  26 CYS HB2 4.44 
 &rst iat=  283, 387, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HB2  27 VAL H 4.01 
 &rst iat=  387, 394, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HB3  26 CYS HB2 3.67 
 &rst iat=  277, 387, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  26 CYS HB2 4.30 
 &rst iat=  366, 387, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HB2  30 GLU HG3 5.16 
 &rst iat=  387, 452, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS HB2 5.30 
 &rst iat= 387, -1, r1= 5.86, r2= 6.36, r3= 6.36, r4= 6.86,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HA  26 CYS HB2 4.91 
 &rst iat=  274, 387, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU HB3  54 LEU HG 5.02 
 &rst iat=  788, 844, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    50 GLU HB3 5.07 
 &rst iat= 788, -1, r1= 5.59, r2= 6.09, r3= 6.09, r4= 6.59,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    50 GLU HB2 4.96 
 &rst iat= 787, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU HB2  51 GLY H 5.12 
 &rst iat=  787, 798, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS 3HD 2HD  3.66  
 &rst iat= -1, -1, r1= 3.61, r2= 4.11, r3= 8.51, r4= 9.01,
 igr1= 994, 995,   igr2= 1001, 1000,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    41 THR HA 5.02 
 &rst iat= -1, 639, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 628, 629,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    15 VAL HB 4.52 
 &rst iat= 208, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    15 VAL CB 4.46 
 &rst iat= 207, -1, r1= 4.51, r2= 5.01, r3= 9.41, r4= 9.91,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    33 LEU CG 5.50 
 &rst iat= 506, -1, r1= 5.67, r2= 6.17, r3= 10.57, r4= 11.07,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    50 GLU HA 4.42 
 &rst iat= 785, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 825, 824,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    54 LEU 1HD1 2HD1 3HD1  5.38  
 &rst iat= -1, -1, r1= 6.75, r2= 7.25, r3= 7.25, r4= 7.75,
 igr1= 825, 824,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG H  55 ARG HG3 4.98 
 &rst iat=  856, 864, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  32 LEU HG 4.76 
 &rst iat=  481, 488, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU HA  32 LEU HG 3.75 
 &rst iat=  483, 488, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    32 LEU HG 5.19 
 &rst iat= 488, -1, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  55 ARG HG2 3.91 
 &rst iat=  858, 863, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  92 LEU HG 5.31 
 &rst iat=  1343, 1426, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL HA  30 GLU H 4.38 
 &rst iat=  396, 444, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    27 VAL HA 3.65 
 &rst iat= 396, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 448, 449,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG 2HG 3HG    36 ARG H 4.39 
 &rst iat= 546, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 0,  igr2= 553, 554,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG12  7 ALA H 5.08 
 &rst iat=  73, 82, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HG12  57 GLU HB3 5.14 
 &rst iat=  73, 892, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE H  6 ILE HG12 4.08 
 &rst iat=  63, 73, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HG13  57 GLU HB2 4.89 
 &rst iat=  74, 891, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HG13  57 GLU HB3 4.42 
 &rst iat=  74, 892, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HG  96 LEU HG 5.32 
 &rst iat=  1426, 1483, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HG  34 HID H 5.08 
 &rst iat=  507, 519, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    33 LEU HG 3.49 
 &rst iat= 507, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    33 LEU HG 4.55 
 &rst iat= 507, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 0,  igr2= 628, 629,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU HG 3.91 
 &rst iat= 507, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HA  61 ALA H 4.41 
 &rst iat=  904, 959, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HE2 HE1    58 ILE HA 4.76 
 &rst iat= 904, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 0,  igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    58 ILE HA 3.53 
 &rst iat= 904, -1, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 0,  igr2= 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    58 ILE HA 3.85 
 &rst iat= 904, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 910, 908, 909,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    58 ILE HA 4.26 
 &rst iat= -1, 904, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 78, 76, 77,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HG 2HG    91 LYS 3HE 2HE  4.14  
 &rst iat= -1, -1, r1= 4.15, r2= 4.65, r3= 9.05, r4= 9.55,
 igr1= 1405, 1404,   igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HG 2HG    89 GLU HB3 4.73 
 &rst iat= 1380, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS 3HG 2HG    86 LEU CG 5.17 
 &rst iat= 1328, -1, r1= 5.30, r2= 5.80, r3= 10.20, r4= 10.70,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS 3HD 2HD  2.74  
 &rst iat= -1, -1, r1= 2.58, r2= 3.08, r3= 7.48, r4= 7.98,
 igr1= 467, 466,   igr2= 470, 469,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    92 LEU CG 4.05 
 &rst iat= -1, 1425, r1= 4.36, r2= 4.86, r3= 9.26, r4= 9.76,
 igr1= 1292, 1293, 1291,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE HA  16 VAL HB 3.64 
 &rst iat=  122, 224, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    10 ILE HA 3.96 
 &rst iat= 122, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    10 ILE HA 3.73 
 &rst iat= 122, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    10 ILE HA 3.52 
 &rst iat= 122, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 LEU HA  92 LEU CG 4.35 
 &rst iat=  1421, 1425, r1= 3.85, r2= 4.35,
 r3= 8.75, r4= 9.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB2  92 LEU CG 3.45 
 &rst iat=  1423, 1425, r1= 2.95, r2= 3.45,
 r3= 7.85, r4= 8.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HG 2HG    88 LYS H 4.39 
 &rst iat= 1353, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 0,  igr2= 1361, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS 3HG 2HG    85 ALA HA 4.73 
 &rst iat= 1314, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1361, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 3HG 2HG    32 LEU 2HD2 3HD2 1HD2  4.76  
 &rst iat= -1, -1, r1= 5.22, r2= 5.72, r3= 10.12, r4= 10.62,
 igr1= 467, 466,   igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS HB2 2.97 
 &rst iat= 143, -1, r1= 2.83, r2= 3.33, r3= 3.33, r4= 3.83,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU HA 3.68 
 &rst iat= 483, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    84 GLU 3HG 2HG  4.27  
 &rst iat= -1, -1, r1= 4.63, r2= 5.13, r3= 9.53, r4= 10.03,
 igr1= 491, 492, 490,   igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU HB3 3.83 
 &rst iat= 1283, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU HB3 3.57 
 &rst iat= 486, -1, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU HB2 4.05 
 &rst iat= 485, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    32 LEU H 4.81 
 &rst iat= 481, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 491, 492, 490,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    8 SER HA 4.86 
 &rst iat= 94, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS 3HD 2HD  2.60  
 &rst iat= -1, -1, r1= 2.42, r2= 2.92, r3= 7.32, r4= 7.82,
 igr1= 147, 146,   igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU HA 3.17 
 &rst iat= 1280, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU HB2 3.73 
 &rst iat= 1282, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU 2HD1 1HD1 3HD1  3.45  
 &rst iat= -1, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 1112, 1113, 1111,   igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 PRO HA  27 VAL H 4.28 
 &rst iat=  358, 394, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS HA  68 PRO HD2 4.14 
 &rst iat=  385, 1075, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    26 CYS HA 3.85 
 &rst iat= 385, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    68 PRO 3HG 2HG  5.50  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 11.01, r4= 11.51,
 igr1= 244, 243, 242,   igr2= 1079, 1078,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 PRO 3HG 2HG    70 ILE 2HD1 3HD1 1HD1  4.55  
 &rst iat= -1, -1, r1= 4.96, r2= 5.46, r3= 9.86, r4= 10.36,
 igr1= 1079, 1078,   igr2= 1112, 1113, 1111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    45 VAL H 3.64 
 &rst iat= 705, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    18 PHE HB3 3.82 
 &rst iat= 257, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HG2  15 VAL CB 3.52 
 &rst iat=  189, 207, r1= 3.02, r2= 3.52,
 r3= 7.92, r4= 8.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HB2  6 ILE H 4.06 
 &rst iat=  56, 63, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    5 SER HB2 5.21 
 &rst iat= 56, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 0,  igr2= 69, 70, 71,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    5 SER HB2 4.05 
 &rst iat= 56, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    6 ILE HA 4.02 
 &rst iat= 65, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    14 LYS HG3 4.23 
 &rst iat= 190, -1, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 0,  igr2= 195, 196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS HG3  15 VAL CB 4.71 
 &rst iat=  190, 207, r1= 4.21, r2= 4.71,
 r3= 9.11, r4= 9.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HG2  96 LEU CG 4.09 
 &rst iat=  189, 1482, r1= 3.59, r2= 4.09,
 r3= 8.49, r4= 8.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    87 ASP HB3 4.53 
 &rst iat= -1, 1346, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU 3HG 2HG  3.97  
 &rst iat= -1, -1, r1= 4.27, r2= 4.77, r3= 9.17, r4= 9.67,
 igr1= 495, 496, 494,   igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU HB3 3.78 
 &rst iat= 486, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU HB2 3.68 
 &rst iat= 485, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    35 ALA 1HB 3HB 2HB  5.16  
 &rst iat= -1, -1, r1= 6.94, r2= 7.44, r3= 7.44, r4= 7.94,
 igr1= 495, 496, 494,   igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU H 4.87 
 &rst iat= 481, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    32 LEU HA 3.99 
 &rst iat= 483, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 495, 496, 494,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU HA 4.03 
 &rst iat= -1, 1299, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD2 3HD2 1HD2    84 GLU HB3 4.08 
 &rst iat= -1, 1302, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 495, 496, 494,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HA  47 LYS H 4.49 
 &rst iat=  707, 733, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HA  45 VAL HA 4.86 
 &rst iat=  686, 707, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HA  51 GLY HA3 3.96 
 &rst iat=  707, 801, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    45 VAL HA 3.35 
 &rst iat= 707, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    45 VAL HA 4.18 
 &rst iat= 707, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  5 SER HB3  6 ILE H 3.79 
 &rst iat=  57, 63, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  9 MET HG2 4.39 
 &rst iat=  65, 110, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  9 MET H 3.79 
 &rst iat=  65, 103, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HA  18 PHE HZ 4.61 
 &rst iat=  65, 264, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    6 ILE HA 3.44 
 &rst iat= 65, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 69, 70, 71,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    6 ILE HA 4.32 
 &rst iat= 65, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 78, 76, 77,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    6 ILE HA 4.85 
 &rst iat= 65, -1, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HA  6 ILE HG13 4.09 
 &rst iat=  65, 74, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS HG2 4.47 
 &rst iat=  689, 740, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HB3  57 GLU HG2 3.52 
 &rst iat=  57, 894, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HE 2HE    86 LEU CG 4.90 
 &rst iat= 1328, -1, r1= 5.00, r2= 5.50, r3= 9.90, r4= 10.40,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB2  86 LEU CG 3.88 
 &rst iat=  1326, 1328, r1= 3.38, r2= 3.88,
 r3= 8.28, r4= 8.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS HB3 3.65 
 &rst iat=  1328, 1402, r1= 3.15, r2= 3.65,
 r3= 8.05, r4= 8.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS HB2 3.23 
 &rst iat=  1328, 1401, r1= 2.73, r2= 3.23,
 r3= 7.63, r4= 8.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB3  86 LEU CG 3.24 
 &rst iat=  1327, 1328, r1= 2.74, r2= 3.24,
 r3= 7.64, r4= 8.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HA  86 LEU CG 4.71 
 &rst iat=  1280, 1328, r1= 4.21, r2= 4.71,
 r3= 9.11, r4= 9.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS H 4.71 
 &rst iat=  1328, 1397, r1= 4.21, r2= 4.71,
 r3= 9.11, r4= 9.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  89 GLU H 5.32 
 &rst iat=  1328, 1375, r1= 4.82, r2= 5.32,
 r3= 9.72, r4= 10.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  91 LYS HA 5.07 
 &rst iat=  1328, 1399, r1= 4.57, r2= 5.07,
 r3= 9.47, r4= 9.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU CG  89 GLU HG2 5.50 
 &rst iat=  1328, 1382, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    8 SER 3HB 2HB  5.21  
 &rst iat= -1, -1, r1= 6.52, r2= 7.02, r3= 7.02, r4= 7.52,
 igr1= 87, 88, 86,   igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER 3HB 2HB    7 ALA H 4.94 
 &rst iat= 82, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL CB  39 ASP HB3 4.97 
 &rst iat=  207, 611, r1= 4.47, r2= 4.97,
 r3= 9.37, r4= 9.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS HB3 4.55 
 &rst iat= 388, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    27 VAL H 3.22 
 &rst iat= 394, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    23 CYS H 4.87 
 &rst iat= 337, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    24 PRO HA 3.66 
 &rst iat= 358, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS HA 5.27 
 &rst iat= 385, -1, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    27 VAL HA 3.12 
 &rst iat= 396, -1, r1= 3.25, r2= 3.75, r3= 3.75, r4= 4.25,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 3HD1 1HD1 2HD1    54 LEU 1HD2 2HD2 3HD2  4.81  
 &rst iat= -1, -1, r1= 6.44, r2= 6.94, r3= 6.94, r4= 7.44,
 igr1= 78, 76, 77,   igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 LEU HA  95 LEU CG 2.97 
 &rst iat=  1459, 1463, r1= 2.47, r2= 2.97,
 r3= 7.37, r4= 7.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  16 VAL H 3.69 
 &rst iat=  207, 220, r1= 3.19, r2= 3.69,
 r3= 8.09, r4= 8.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  33 LEU HA 4.99 
 &rst iat=  207, 502, r1= 4.49, r2= 4.99,
 r3= 9.39, r4= 9.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HB3  33 LEU CG 3.25 
 &rst iat=  505, 506, r1= 2.75, r2= 3.25,
 r3= 7.65, r4= 8.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    70 ILE HA 4.21 
 &rst iat= -1, 1100, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    18 PHE H 4.99 
 &rst iat= -1, 252, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 248, 247, 246,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    17 VAL H 3.81 
 &rst iat= 236, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    6 ILE H 5.05 
 &rst iat= 63, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU H 4.26 
 &rst iat= 837, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU CG  34 HID HD2 5.01 
 &rst iat=  506, 532, r1= 4.51, r2= 5.01,
 r3= 9.41, r4= 9.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU HA 3.14 
 &rst iat= 839, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    54 LEU HB3 4.05 
 &rst iat= 842, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    70 ILE HA 5.05 
 &rst iat= -1, 1100, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HA  71 PHE HB2 4.48 
 &rst iat=  1100, 1121, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    53 GLN H 5.50 
 &rst iat= 820, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE HA  71 PHE H 2.97 
 &rst iat=  1100, 1117, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG1 3HG1    70 ILE HA 3.81 
 &rst iat= 1100, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1108, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE HA 3.81 
 &rst iat= 1100, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1105, 1104, 1106,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER 2HB 3HB    49 SER HA 2.77 
 &rst iat= 774, -1, r1= 2.61, r2= 3.11, r3= 3.11, r4= 3.61,
 igr1= 0,  igr2= 776, 777,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  62 TYR H 4.51 
 &rst iat=  923, 969, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 HID 2HB 3HB    59 TYR HA 4.73 
 &rst iat= 923, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1016, 1017,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HB  59 TYR HA 4.67 
 &rst iat=  906, 923, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 THR 1HG2 2HG2 3HG2    22 THR HA 3.01 
 &rst iat= 325, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 329, 330, 331,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    17 VAL H 4.74 
 &rst iat= 236, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 0,  igr2= 244, 243, 242,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    30 GLU HG3 4.65 
 &rst iat= -1, 452, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    42 VAL 3HG1 1HG1 2HG1  3.75  
 &rst iat= -1, -1, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 244, 243, 242,   igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    18 PHE H 3.69 
 &rst iat= -1, 252, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    18 PHE HA 4.47 
 &rst iat= -1, 254, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    70 ILE HA 4.49 
 &rst iat= -1, 1100, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    42 VAL HA 4.70 
 &rst iat= -1, 653, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER HB2 4.16 
 &rst iat= -1, 276, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    68 PRO HB2 4.10 
 &rst iat= -1, 1081, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    29 ALA 1HB 3HB 2HB  5.12  
 &rst iat= -1, -1, r1= 6.88, r2= 7.38, r3= 7.38, r4= 7.88,
 igr1= 244, 243, 242,   igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    42 VAL 3HG2 1HG2 2HG2  4.14  
 &rst iat= -1, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 244, 243, 242,   igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    54 LEU 1HD1 2HD1 3HD1  4.56  
 &rst iat= -1, -1, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 713, 712, 711,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    54 LEU 1HD1 2HD1 3HD1  3.39  
 &rst iat= -1, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 69, 70, 71,   igr2= 846, 847, 848,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 PRO HA  69 ALA H 3.08 
 &rst iat=  1084, 1088, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 THR HA  68 PRO HA 3.12 
 &rst iat=  1046, 1084, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    68 PRO HA 4.87 
 &rst iat= -1, 1084, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 SER HA  50 GLU HA 4.83 
 &rst iat=  774, 785, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    41 THR HA 3.23 
 &rst iat= 639, -1, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    43 HID H 5.20 
 &rst iat= -1, 667, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    16 VAL HA 3.60 
 &rst iat= 222, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    71 PHE HB2 4.89 
 &rst iat= -1, 1121, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    41 THR 3HG2 2HG2 1HG2  5.32  
 &rst iat= -1, -1, r1= 6.67, r2= 7.17, r3= 7.17, r4= 7.67,
 igr1= 628, 629,   igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    16 VAL 3HG1 2HG1 1HG1  4.55  
 &rst iat= -1, -1, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 134, 133, 135,   igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HA  28 ARG HG3 4.87 
 &rst iat=  364, 418, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE HA  41 THR HA 4.92 
 &rst iat=  620, 639, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    68 PRO HA 4.84 
 &rst iat= 1084, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    69 ALA H 3.62 
 &rst iat= 1088, -1, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    70 ILE H 4.19 
 &rst iat= -1, 1098, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HD1 HD2    69 ALA 1HB 2HB 3HB  3.53  
 &rst iat= -1, -1, r1= 3.74, r2= 4.24, r3= 8.64, r4= 9.14,
 igr1= 977, 986,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    71 PHE HZ 3.82 
 &rst iat= -1, 1129, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    66 THR HA 4.69 
 &rst iat= 1046, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    18 PHE HB2 3.47 
 &rst iat= 256, -1, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    69 ALA 1HB 2HB 3HB  3.53  
 &rst iat= -1, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 913, 912,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 2HD1 1HD1 3HD1    69 ALA 1HB 2HB 3HB  3.72  
 &rst iat= -1, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 916, 915, 917,   igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    42 VAL H 3.68 
 &rst iat= -1, 651, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 645, 644, 643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 SER HA  84 GLU H 4.63 
 &rst iat=  1257, 1297, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER 2HB 3HB    81 SER HA 2.44 
 &rst iat= 1257, -1, r1= 2.24, r2= 2.74, r3= 2.74, r4= 3.24,
 igr1= 0,  igr2= 1259, 1260,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    41 THR H 4.61 
 &rst iat= -1, 637, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    12 GLY HA3 5.18 
 &rst iat= 164, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL HA  40 ILE HA 4.92 
 &rst iat=  222, 620, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HA  41 THR H 3.61 
 &rst iat=  222, 637, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HA  17 VAL H 2.84 
 &rst iat=  222, 236, r1= 2.34, r2= 2.84,
 r3= 2.84, r4= 3.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HA  41 THR HB 3.93 
 &rst iat=  222, 641, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    16 VAL HA 3.37 
 &rst iat= 222, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    16 VAL HA 4.61 
 &rst iat= 222, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL HA  17 VAL HA 4.60 
 &rst iat=  222, 238, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    15 VAL H 4.98 
 &rst iat= 204, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    12 GLY H 4.24 
 &rst iat= 161, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    10 ILE HA 3.47 
 &rst iat= 122, -1, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    41 THR HB 3.67 
 &rst iat= -1, 641, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN HB3 3.83 
 &rst iat= 173, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    10 ILE HB 5.16 
 &rst iat= 124, -1, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    16 VAL 1HG2 3HG2 2HG2  5.12  
 &rst iat= -1, -1, r1= 6.88, r2= 7.38, r3= 7.38, r4= 7.88,
 igr1= 134, 133, 135,   igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    28 ARG H 3.85 
 &rst iat= -1, 410, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS HB3 4.14 
 &rst iat= -1, 464, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS 3HG 2HG  4.70  
 &rst iat= -1, -1, r1= 5.14, r2= 5.64, r3= 10.04, r4= 10.54,
 igr1= 406, 405, 404,   igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    27 VAL H 4.41 
 &rst iat= 394, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 406, 405, 404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    27 VAL HA 3.33 
 &rst iat= 396, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 406, 405, 404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL H  71 PHE H 4.08 
 &rst iat=  220, 1117, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HA  16 VAL H 2.90 
 &rst iat=  206, 220, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL H  71 PHE HB2 4.05 
 &rst iat=  220, 1121, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL H  71 PHE HB3 4.73 
 &rst iat=  220, 1122, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL HB  16 VAL H 4.83 
 &rst iat=  208, 220, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL H  16 VAL HB 3.48 
 &rst iat=  220, 224, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    16 VAL H 3.54 
 &rst iat= 220, -1, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG2 2HG2 1HG2    16 VAL H 5.26 
 &rst iat= 220, -1, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 0,  igr2= 248, 247, 246,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    16 VAL H 4.66 
 &rst iat= 220, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  39 ASP H 4.88 
 &rst iat=  574, 606, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP H  39 ASP HB2 3.84 
 &rst iat=  606, 610, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS HB2  39 ASP H 4.95 
 &rst iat=  588, 606, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS HB3  39 ASP H 4.40 
 &rst iat=  589, 606, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    39 ASP H 5.11 
 &rst iat= -1, 606, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 591, 592,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    39 ASP H 5.50 
 &rst iat= 606, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 CYS H  26 CYS HB3 3.74 
 &rst iat=  383, 388, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS H  27 VAL HB 5.40 
 &rst iat=  383, 398, r1= 4.90, r2= 5.40,
 r3= 5.40, r4= 5.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    26 CYS H 5.50 
 &rst iat= 383, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 402, 401, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 CYS H  28 ARG HG3 5.50 
 &rst iat=  383, 418, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR H  26 CYS H 3.30 
 &rst iat=  362, 383, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HD1 HD2    26 CYS H 5.50 
 &rst iat= -1, 383, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 370, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR HB3  26 CYS H 3.69 
 &rst iat=  367, 383, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  26 CYS H 3.91 
 &rst iat=  366, 383, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  26 CYS H 5.50 
 &rst iat=  283, 383, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 THR HB  23 CYS H 4.03 
 &rst iat=  327, 337, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO 3HD 2HD    23 CYS H 5.50 
 &rst iat= 337, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 350, 349,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 CYS H  24 PRO HA 5.39 
 &rst iat=  337, 358, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  72 ILE H 4.74 
 &rst iat=  1117, 1137, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    71 PHE H 4.48 
 &rst iat= 1117, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 0,  igr2= 1125, 1133,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL HA  71 PHE H 4.27 
 &rst iat=  238, 1117, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  71 PHE HB2 3.67 
 &rst iat=  1117, 1121, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL HB  71 PHE H 4.66 
 &rst iat=  224, 1117, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    71 PHE H 4.76 
 &rst iat= -1, 1117, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 1105, 1104, 1106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL H  43 HID H 5.15 
 &rst iat=  651, 667, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HB  43 HID H 5.26 
 &rst iat=  655, 667, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER H  43 HID H 4.94 
 &rst iat=  272, 667, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  43 HID H 4.51 
 &rst iat=  236, 667, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID H  43 HID HB2 4.02 
 &rst iat=  667, 671, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID H  43 HID HB3 3.54 
 &rst iat=  667, 672, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    43 HID H 4.44 
 &rst iat= -1, 667, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 659, 657, 658,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    43 HID H 3.75 
 &rst iat= -1, 667, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL H  18 PHE H 5.50 
 &rst iat=  236, 252, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR H  42 VAL H 5.21 
 &rst iat=  637, 651, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR HA  42 VAL H 2.70 
 &rst iat=  639, 651, r1= 2.20, r2= 2.70,
 r3= 2.70, r4= 3.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR HB  42 VAL H 4.81 
 &rst iat=  641, 651, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL H  42 VAL HB 3.31 
 &rst iat=  651, 655, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG1 1HG1 2HG1    42 VAL H 3.34 
 &rst iat= 651, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 659, 657, 658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    42 VAL H 4.64 
 &rst iat= 651, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 TYR H  25 TYR HB2 4.11 
 &rst iat=  362, 366, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR H  25 TYR HB3 3.63 
 &rst iat=  362, 367, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 PRO 3HG 2HG    25 TYR H 4.96 
 &rst iat= -1, 362, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 353, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL H  41 THR HB 5.08 
 &rst iat=  236, 641, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  17 VAL HB 3.46 
 &rst iat=  236, 240, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    17 VAL H 3.71 
 &rst iat= -1, 236, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 228, 227, 226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL H  17 VAL H 4.92 
 &rst iat=  220, 236, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL H  41 THR H 4.90 
 &rst iat=  236, 637, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    17 VAL H 4.37 
 &rst iat= -1, 236, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 230, 232, 231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HB3  77 ILE H 4.88 
 &rst iat=  1196, 1211, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    77 ILE H 4.46 
 &rst iat= -1, 1211, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 1105, 1104, 1106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HB2  77 ILE H 4.92 
 &rst iat=  1195, 1211, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    44 TYR H 5.35 
 &rst iat= 684, -1, r1= 5.51, r2= 6.01, r3= 6.01, r4= 6.51,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    44 TYR H 3.97 
 &rst iat= 684, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 HID HA  44 TYR H 2.94 
 &rst iat=  669, 684, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR H  44 TYR HB3 3.97 
 &rst iat=  684, 689, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR H  44 TYR HB2 3.33 
 &rst iat=  684, 688, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 HID HB3  44 TYR H 5.46 
 &rst iat=  672, 684, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    44 TYR H 5.50 
 &rst iat= 684, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    44 TYR H 5.17 
 &rst iat= -1, 684, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 663, 661, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 TRP HE1  46 ASP HA 5.26 
 &rst iat=  293, 723, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HE1  46 ASP HB3 5.50 
 &rst iat=  293, 726, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP HE1  46 ASP HB2 5.06 
 &rst iat=  293, 725, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    20 TRP HE1 5.50 
 &rst iat= 293, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL HA  18 PHE H 3.08 
 &rst iat=  238, 252, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE H  70 ILE HA 4.63 
 &rst iat=  252, 1100, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE H  18 PHE HB2 3.74 
 &rst iat=  252, 256, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ALA 1HB 2HB 3HB    18 PHE H 4.56 
 &rst iat= 252, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 THR H  41 THR HB 3.40 
 &rst iat=  637, 641, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  41 THR H 4.44 
 &rst iat=  173, 637, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 THR 3HG2 2HG2 1HG2    41 THR H 4.07 
 &rst iat= 637, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 645, 644, 643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    41 THR H 5.17 
 &rst iat= -1, 637, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 633, 631, 632,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HB  41 THR H 4.30 
 &rst iat=  208, 637, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  41 THR H 4.41 
 &rst iat=  207, 637, r1= 3.91, r2= 4.41,
 r3= 8.81, r4= 9.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG1 3HG1    41 THR H 4.28 
 &rst iat= -1, 637, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 628, 629,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    21 VAL H 4.57 
 &rst iat= 307, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 VAL H  44 TYR HB3 5.22 
 &rst iat=  307, 689, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP 2HB 3HB    21 VAL H 4.05 
 &rst iat= -1, 307, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 287, 288,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 ASN HB3  76 PHE H 4.39 
 &rst iat=  1182, 1191, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE H  76 PHE HB2 3.80 
 &rst iat=  1191, 1195, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE H  76 PHE HB3 3.89 
 &rst iat=  1191, 1196, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 PHE HD1 HD2    76 PHE H 5.48 
 &rst iat= 1191, -1, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 0,  igr2= 1199, 1207,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HE2 HE1    70 ILE H 4.25 
 &rst iat= 1098, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 1205, 1201,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 PHE HD1 HD2    70 ILE H 5.33 
 &rst iat= 1098, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1199, 1207,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE H  71 PHE HA 5.44 
 &rst iat=  1098, 1119, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG1 3HG1    70 ILE H 3.65 
 &rst iat= 1098, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 1108, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE H  70 ILE HB 3.22 
 &rst iat=  1098, 1102, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HG2 1HG2 3HG2    70 ILE H 4.49 
 &rst iat= 1098, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 1105, 1104, 1106,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY 2HA 3HA    57 GLU H 3.26 
 &rst iat= -1, 887, r1= 3.16, r2= 3.66, r3= 3.66, r4= 4.16,
 igr1= 882, 883,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG HA  57 GLU H 5.35 
 &rst iat=  858, 887, r1= 4.85, r2= 5.35,
 r3= 5.35, r4= 5.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HG2 3.60 
 &rst iat=  887, 894, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HB2 3.39 
 &rst iat=  887, 891, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HG3 3.98 
 &rst iat=  887, 895, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU H  57 GLU HB3 3.85 
 &rst iat=  887, 892, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    57 GLU H 5.50 
 &rst iat= -1, 887, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD1 2HD1 3HD1    57 GLU H 5.50 
 &rst iat= -1, 887, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 846, 847, 848,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 THR HA  69 ALA H 4.05 
 &rst iat=  1046, 1088, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HB2  69 ALA H 4.17 
 &rst iat=  256, 1088, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 PRO HB2  69 ALA H 3.98 
 &rst iat=  1081, 1088, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    69 ALA H 4.61 
 &rst iat= -1, 1088, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN H  54 LEU H 3.31 
 &rst iat=  820, 837, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU HA  53 GLN H 4.18 
 &rst iat=  785, 820, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA2  53 GLN H 5.50 
 &rst iat=  800, 820, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN H 2.94 
 &rst iat= 820, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 825, 824,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU 2HB 3HB    53 GLN H 3.45 
 &rst iat= -1, 820, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 809, 810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    53 GLN H 5.50 
 &rst iat= 820, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN H  53 GLN HG2 5.50 
 &rst iat=  820, 827, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    85 ALA H 3.06 
 &rst iat= 1312, -1, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU H  85 ALA H 3.36 
 &rst iat=  1297, 1312, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  85 ALA H 4.00 
 &rst iat=  1278, 1312, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    85 ALA H 4.79 
 &rst iat= -1, 1312, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 1305, 1304,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HB2  85 ALA H 3.81 
 &rst iat=  1301, 1312, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA H  86 LEU HG 5.49 
 &rst iat=  1312, 1329, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  85 ALA H 5.27 
 &rst iat=  1266, 1312, r1= 4.77, r2= 5.27,
 r3= 5.27, r4= 5.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  21 VAL H 5.31 
 &rst iat=  283, 307, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  20 TRP HD1 5.34 
 &rst iat=  283, 291, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HE2 HE1    20 TRP H 5.05 
 &rst iat= 283, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 0,  igr2= 699, 694,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HD1 HD2    20 TRP H 5.11 
 &rst iat= 283, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HB3  20 TRP H 3.40 
 &rst iat=  277, 283, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP H  26 CYS HB3 4.38 
 &rst iat=  283, 388, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 TRP 2HB 3HB    20 TRP H 3.40 
 &rst iat= 283, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 287, 288,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    20 TRP H 5.50 
 &rst iat= 283, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 717, 716, 715,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL HA  29 ALA H 5.24 
 &rst iat=  396, 434, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HA  29 ALA H 4.84 
 &rst iat=  364, 434, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA H  30 GLU HG3 5.50 
 &rst iat=  434, 452, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HG3  29 ALA H 5.39 
 &rst iat=  418, 434, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG HG2  29 ALA H 4.74 
 &rst iat=  417, 434, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    29 ALA H 5.38 
 &rst iat= -1, 434, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE H  7 ALA H 3.97 
 &rst iat=  63, 82, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HA  7 ALA H 4.67 
 &rst iat=  54, 82, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HB2  7 ALA H 4.59 
 &rst iat=  56, 82, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA H  57 GLU HB3 5.05 
 &rst iat=  82, 892, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE HB  7 ALA H 4.06 
 &rst iat=  67, 82, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    7 ALA H 3.24 
 &rst iat= 82, -1, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 0,  igr2= 87, 88, 86,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 ILE HG13  7 ALA H 4.23 
 &rst iat=  74, 82, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE 1HG2 2HG2 3HG2    7 ALA H 4.52 
 &rst iat= -1, 82, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 69, 70, 71,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    9 MET H 5.50 
 &rst iat= -1, 103, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 87, 88, 86,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    9 MET H 5.50 
 &rst iat= 103, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET 2HB 3HB    9 MET H 3.63 
 &rst iat= 103, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 107, 108,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 ASP H  84 GLU H 4.93 
 &rst iat=  1266, 1297, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  83 LEU HA 5.50 
 &rst iat=  1266, 1280, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  82 ASP HB3 3.93 
 &rst iat=  1266, 1271, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  82 ASP HB2 3.57 
 &rst iat=  1266, 1270, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  83 LEU HB3 5.08 
 &rst iat=  1266, 1283, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    82 ASP H 5.50 
 &rst iat= 1266, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1317, 1316, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER 3HB 2HB    9 MET H 3.94 
 &rst iat= -1, 103, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 97, 96,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 MET H  9 MET HG2 3.67 
 &rst iat=  103, 110, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET H  11 LYS H 5.50 
 &rst iat=  103, 139, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  14 LYS H 3.94 
 &rst iat=  173, 182, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB2  14 LYS H 3.86 
 &rst iat=  172, 182, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HB3 3.32 
 &rst iat=  182, 187, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HB2 3.23 
 &rst iat=  182, 186, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HG3 5.00 
 &rst iat=  182, 190, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  14 LYS HG2 4.97 
 &rst iat=  182, 189, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  15 VAL CB 4.94 
 &rst iat=  182, 207, r1= 4.44, r2= 4.94,
 r3= 9.34, r4= 9.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR H  60 GLN H 3.41 
 &rst iat=  921, 942, r1= 2.91, r2= 3.41,
 r3= 3.41, r4= 3.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG HA  59 TYR H 5.29 
 &rst iat=  858, 921, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    59 TYR H 2.97 
 &rst iat= 921, -1, r1= 2.83, r2= 3.33, r3= 3.33, r4= 3.83,
 igr1= 0,  igr2= 925, 926,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE HB  59 TYR H 3.47 
 &rst iat=  906, 921, r1= 2.97, r2= 3.47,
 r3= 3.47, r4= 3.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    59 TYR H 4.10 
 &rst iat= -1, 921, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLU HA  88 LYS H 5.04 
 &rst iat=  1299, 1353, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HB3  88 LYS H 3.34 
 &rst iat=  1346, 1353, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HB 2HB    88 LYS H 2.85 
 &rst iat= 1353, -1, r1= 2.70, r2= 3.20, r3= 3.20, r4= 3.70,
 igr1= 0,  igr2= 1358, 1357,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 THR HB  38 LYS H 4.82 
 &rst iat=  574, 584, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS H  38 LYS HB3 3.69 
 &rst iat=  584, 589, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 LYS 2HG 3HG    38 LYS H 4.00 
 &rst iat= 584, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 591, 592,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU H  88 LYS H 4.98 
 &rst iat=  1322, 1353, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS H  92 LEU CG 5.50 
 &rst iat=  1353, 1425, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  93 ASP H 3.31 
 &rst iat=  1419, 1438, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU HG 4.64 
 &rst iat=  1419, 1426, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  92 LEU H 3.02 
 &rst iat=  1397, 1419, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  93 ASP HB2 5.50 
 &rst iat=  1419, 1442, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU HB3 3.18 
 &rst iat=  1419, 1424, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HB2  92 LEU H 4.14 
 &rst iat=  1401, 1419, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU HB2 3.14 
 &rst iat=  1419, 1423, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU H  92 LEU CG 4.28 
 &rst iat=  1419, 1425, r1= 3.78, r2= 4.28,
 r3= 8.68, r4= 9.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 GLY H  83 LEU H 4.84 
 &rst iat=  1237, 1278, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  84 GLU H 3.31 
 &rst iat=  1278, 1297, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP H  83 LEU H 3.35 
 &rst iat=  1266, 1278, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER HA  83 LEU H 5.13 
 &rst iat=  1257, 1278, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP HB3  83 LEU H 3.79 
 &rst iat=  1271, 1278, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 ASP HB2  83 LEU H 3.44 
 &rst iat=  1270, 1278, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HB3 3.06 
 &rst iat=  1278, 1283, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HG 4.34 
 &rst iat=  1278, 1285, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HB2 3.13 
 &rst iat=  1278, 1282, r1= 2.63, r2= 3.13,
 r3= 3.13, r4= 3.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    83 LEU H 4.71 
 &rst iat= 1278, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    83 LEU H 4.65 
 &rst iat= 1278, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 1288, 1287, 1289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    83 LEU H 4.57 
 &rst iat= -1, 1278, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU H  86 LEU H 5.29 
 &rst iat=  1278, 1322, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 SER 2HB 3HB    50 GLU H 5.14 
 &rst iat= -1, 783, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 776, 777,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 GLU 2HG 3HG    50 GLU H 5.50 
 &rst iat= 783, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE H  60 GLN H 5.39 
 &rst iat=  902, 942, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 GLU HB2  58 ILE H 4.03 
 &rst iat=  891, 902, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE H  58 ILE HB 3.14 
 &rst iat=  902, 906, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE 3HG1 2HG1    58 ILE H 4.41 
 &rst iat= 902, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 ILE 3HG2 1HG2 2HG2    58 ILE H 4.43 
 &rst iat= 902, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 910, 908, 909,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 GLY H  58 ILE H 4.61 
 &rst iat=  880, 902, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    58 ILE H 5.24 
 &rst iat= 902, -1, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 0,  igr2= 925, 926,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LYS 2HE 3HE    97 SER H 5.48 
 &rst iat= -1, 1495, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 195, 196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 LEU HB2  97 SER H 3.99 
 &rst iat=  1480, 1495, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU HG  97 SER H 5.01 
 &rst iat=  1483, 1495, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU HB3  97 SER H 4.48 
 &rst iat=  1481, 1495, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU CG  97 SER H 5.39 
 &rst iat=  1463, 1495, r1= 4.89, r2= 5.39,
 r3= 9.79, r4= 10.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU CG  97 SER H 4.98 
 &rst iat=  1482, 1495, r1= 4.48, r2= 4.98,
 r3= 9.38, r4= 9.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS H  27 VAL H 3.79 
 &rst iat=  383, 394, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 CYS H  27 VAL H 5.44 
 &rst iat=  337, 394, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR H  27 VAL H 5.06 
 &rst iat=  362, 394, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HB2  27 VAL H 5.50 
 &rst iat=  366, 394, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL H  27 VAL HB 3.25 
 &rst iat=  394, 398, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL H  29 ALA H 5.50 
 &rst iat=  394, 434, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS H  32 LEU H 3.28 
 &rst iat=  459, 481, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  33 LEU H 3.31 
 &rst iat=  481, 500, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  32 LEU HB3 2.94 
 &rst iat=  481, 486, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  32 LEU HB2 3.05 
 &rst iat=  481, 485, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    32 LEU H 4.68 
 &rst iat= -1, 481, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 467, 466,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU H  33 LEU HG 5.32 
 &rst iat=  481, 507, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU H  32 LEU H 4.83 
 &rst iat=  444, 481, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  32 LEU H 5.36 
 &rst iat=  446, 481, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    32 LEU H 5.18 
 &rst iat= 481, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 0,  igr2= 1292, 1293, 1291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU H  55 ARG H 3.58 
 &rst iat=  837, 856, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY HA3  54 LEU H 5.50 
 &rst iat=  801, 837, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN HG2  54 LEU H 5.06 
 &rst iat=  827, 837, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    54 LEU H 3.44 
 &rst iat= -1, 837, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 825, 824,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LEU H  54 LEU HB2 3.90 
 &rst iat=  837, 841, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    54 LEU H 4.55 
 &rst iat= 837, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU H  54 LEU H 5.02 
 &rst iat=  805, 837, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HD1 HD2    19 SER H 5.50 
 &rst iat= 272, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 692, 701,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER H  19 SER HB3 4.20 
 &rst iat=  272, 277, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER H  19 SER HB2 3.57 
 &rst iat=  272, 276, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER H  43 HID HB3 5.11 
 &rst iat=  272, 672, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 ILE H  6 ILE HG13 4.71 
 &rst iat=  63, 74, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 3HG2 1HG2 2HG2    19 SER H 4.83 
 &rst iat= 272, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 0,  igr2= 663, 661, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 GLU H  53 GLN H 3.46 
 &rst iat=  805, 820, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU 2HB 3HB    52 GLU H 3.17 
 &rst iat= 805, -1, r1= 3.06, r2= 3.56, r3= 3.56, r4= 4.06,
 igr1= 0,  igr2= 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL 3HG1 2HG1 1HG1    19 SER H 4.77 
 &rst iat= 272, -1, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 0,  igr2= 713, 712, 711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 VAL 3HG1 2HG1 1HG1    19 SER H 5.28 
 &rst iat= -1, 272, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 244, 243, 242,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HD2 HD1    19 SER H 5.31 
 &rst iat= -1, 272, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 268, 260,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 PHE HB3  19 SER H 4.61 
 &rst iat=  257, 272, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY H  95 LEU H 3.44 
 &rst iat=  1450, 1457, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  95 LEU H 3.78 
 &rst iat=  1421, 1457, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB3  95 LEU H 5.50 
 &rst iat=  1443, 1457, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB2  95 LEU H 5.28 
 &rst iat=  1442, 1457, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU HB2 3.00 
 &rst iat=  1457, 1461, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU HG 3.15 
 &rst iat=  1457, 1464, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  96 LEU HG 4.79 
 &rst iat=  1457, 1483, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU HB3 3.52 
 &rst iat=  1457, 1462, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU H  95 LEU CG 3.82 
 &rst iat=  1457, 1463, r1= 3.32, r2= 3.82,
 r3= 8.22, r4= 8.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HD1 HD2    45 VAL H 4.65 
 &rst iat= -1, 705, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 692, 701,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 TYR HB2  45 VAL H 5.05 
 &rst iat=  688, 705, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 PHE HA  45 VAL H 5.50 
 &rst iat=  254, 705, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR HD2 HD1    60 GLN H 4.70 
 &rst iat= -1, 942, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 938, 929,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 GLU HA  60 GLN H 3.91 
 &rst iat=  889, 942, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    60 GLN H 3.45 
 &rst iat= -1, 942, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    60 GLN H 3.73 
 &rst iat= 942, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HB 3HB    60 GLN H 2.91 
 &rst iat= 942, -1, r1= 2.77, r2= 3.27, r3= 3.27, r4= 3.77,
 igr1= 0,  igr2= 946, 947,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    60 GLN H 5.22 
 &rst iat= 942, -1, r1= 5.77, r2= 6.27, r3= 6.27, r4= 6.77,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  31 LYS HB3 3.31 
 &rst iat=  459, 464, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS H  33 LEU CG 5.50 
 &rst iat=  459, 506, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS H  33 LEU HG 5.50 
 &rst iat=  459, 507, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 CYS H  28 ARG H 4.90 
 &rst iat=  383, 410, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  30 GLU H 5.28 
 &rst iat=  410, 444, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 VAL H  28 ARG H 3.43 
 &rst iat=  394, 410, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  29 ALA H 3.36 
 &rst iat=  410, 434, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 TYR HA  28 ARG H 3.67 
 &rst iat=  364, 410, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG 3HD 2HD    28 ARG H 4.77 
 &rst iat= 410, -1, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL HB  28 ARG H 2.73 
 &rst iat=  398, 410, r1= 2.23, r2= 2.73,
 r3= 2.73, r4= 3.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  28 ARG HG3 4.18 
 &rst iat=  410, 418, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ARG H  28 ARG HG2 4.69 
 &rst iat=  410, 417, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    28 ARG H 5.17 
 &rst iat= 410, -1, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 0,  igr2= 438, 440, 439,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG1 2HG1 1HG1    28 ARG H 4.51 
 &rst iat= -1, 410, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 402, 401, 400,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA H  31 LYS H 4.78 
 &rst iat=  434, 459, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HG3  31 LYS H 5.50 
 &rst iat=  452, 459, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    31 LYS H 3.49 
 &rst iat= -1, 459, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 448, 449,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  31 LYS HB2 3.03 
 &rst iat=  459, 463, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 3HG 2HG    31 LYS H 4.31 
 &rst iat= 459, -1, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 0,  igr2= 467, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 VAL 3HG2 2HG2 1HG2    31 LYS H 5.09 
 &rst iat= -1, 459, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 406, 405, 404,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LYS H  47 LYS HB3 4.02 
 &rst iat=  733, 738, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR H  47 LYS H 5.50 
 &rst iat=  684, 733, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL H  47 LYS H 4.96 
 &rst iat=  705, 733, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB3  47 LYS H 4.31 
 &rst iat=  689, 733, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 TYR HB2  47 LYS H 4.56 
 &rst iat=  688, 733, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  47 LYS HB2 3.50 
 &rst iat=  733, 737, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  47 LYS HG3 4.14 
 &rst iat=  733, 741, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  47 LYS HG2 4.06 
 &rst iat=  733, 740, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  88 LYS H 3.25 
 &rst iat=  1341, 1353, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA H  87 ASP H 4.08 
 &rst iat=  1312, 1341, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  87 ASP H 3.20 
 &rst iat=  1322, 1341, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  87 ASP HB3 3.14 
 &rst iat=  1341, 1346, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  87 ASP HB2 3.06 
 &rst iat=  1341, 1345, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU HB2  87 ASP H 3.37 
 &rst iat=  1326, 1341, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA 2HB 1HB 3HB    87 ASP H 4.79 
 &rst iat= -1, 1341, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 1317, 1316, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ASP H  92 LEU HB2 3.68 
 &rst iat=  1341, 1423, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP H  92 LEU CG 4.15 
 &rst iat=  1341, 1425, r1= 3.65, r2= 4.15,
 r3= 8.55, r4= 9.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  76 PHE H 5.17 
 &rst iat=  1177, 1191, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HB3 3.93 
 &rst iat=  1177, 1182, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HA  75 ASN H 5.28 
 &rst iat=  1158, 1177, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB3  75 ASN H 4.65 
 &rst iat=  1122, 1177, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLY H  75 ASN H 3.44 
 &rst iat=  1170, 1177, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  75 ASN H 3.61 
 &rst iat=  1137, 1177, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HD22 4.79 
 &rst iat=  1177, 1187, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HD21 4.95 
 &rst iat=  1177, 1186, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  75 ASN H 4.63 
 &rst iat=  1119, 1177, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 ASN H  75 ASN HB2 3.10 
 &rst iat=  1177, 1181, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HB  75 ASN H 5.15 
 &rst iat=  1141, 1177, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ASN HB3  75 ASN H 4.97 
 &rst iat=  1161, 1177, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 MET H  51 GLY H 4.85 
 &rst iat=  755, 798, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS H  48 MET H 3.11 
 &rst iat=  733, 755, r1= 2.61, r2= 3.11,
 r3= 3.11, r4= 3.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HA  48 MET H 4.01 
 &rst iat=  707, 755, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HB3  48 MET H 4.69 
 &rst iat=  738, 755, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HB2  48 MET H 4.27 
 &rst iat=  737, 755, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HG3  48 MET H 5.01 
 &rst iat=  741, 755, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LYS HG2  48 MET H 5.50 
 &rst iat=  740, 755, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG1 2HG1    72 ILE H 4.89 
 &rst iat= 1137, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 1148, 1147,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS 3HD 2HD    64 HID H 5.50 
 &rst iat= -1, 1012, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1001, 1000,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR H  64 HID H 5.18 
 &rst iat=  921, 1012, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS H  64 HID H 3.55 
 &rst iat=  990, 1012, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HD1 HD2    64 HID H 5.43 
 &rst iat= -1, 1012, r1= 5.59, r2= 6.09, r3= 6.09, r4= 6.59,
 igr1= 977, 986,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 TYR HA  64 HID H 3.18 
 &rst iat=  923, 1012, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    64 HID H 4.99 
 &rst iat= -1, 1012, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 HID 2HB 3HB    64 HID H 3.40 
 &rst iat= 1012, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 1016, 1017,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HB3  64 HID H 4.85 
 &rst iat=  974, 1012, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HB2  64 HID H 4.19 
 &rst iat=  973, 1012, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    64 HID H 4.43 
 &rst iat= -1, 1012, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 994, 995,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 ILE H  74 GLY H 4.71 
 &rst iat=  1137, 1170, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB2  72 ILE H 4.52 
 &rst iat=  1121, 1137, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  76 PHE HA 4.65 
 &rst iat=  1137, 1193, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  75 ASN HB2 4.48 
 &rst iat=  1137, 1181, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB3  72 ILE H 3.95 
 &rst iat=  1122, 1137, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE H  72 ILE HB 3.37 
 &rst iat=  1137, 1141, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL 3HG2 2HG2 1HG2    55 ARG H 5.50 
 &rst iat= -1, 856, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 717, 716, 715,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  33 LEU H 4.95 
 &rst iat=  459, 500, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU HA  33 LEU H 4.29 
 &rst iat=  446, 500, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID 2HB 3HB    33 LEU H 5.18 
 &rst iat= 500, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU H  33 LEU HB2 2.91 
 &rst iat=  500, 504, r1= 2.41, r2= 2.91,
 r3= 2.91, r4= 3.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  33 LEU HB3 3.71 
 &rst iat=  500, 505, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    33 LEU H 4.93 
 &rst iat= -1, 500, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU H  33 LEU CG 4.18 
 &rst iat=  500, 506, r1= 3.68, r2= 4.18,
 r3= 8.58, r4= 9.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  33 LEU HG 4.01 
 &rst iat=  500, 507, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    33 LEU H 5.31 
 &rst iat= 500, -1, r1= 5.88, r2= 6.38, r3= 6.38, r4= 6.88,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HA  86 LEU H 3.94 
 &rst iat=  1280, 1322, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  87 ASP HB3 5.03 
 &rst iat=  1322, 1346, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  87 ASP HB2 5.33 
 &rst iat=  1322, 1345, r1= 4.83, r2= 5.33,
 r3= 5.33, r4= 5.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU HB2 3.09 
 &rst iat=  1322, 1326, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU HG 3.22 
 &rst iat=  1322, 1329, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU HB3 3.59 
 &rst iat=  1322, 1327, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 LEU H  86 LEU CG 4.01 
 &rst iat=  1322, 1328, r1= 3.51, r2= 4.01,
 r3= 8.41, r4= 8.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  35 ALA H 3.31 
 &rst iat=  519, 536, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  35 ALA H 4.75 
 &rst iat=  500, 536, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA H  36 ARG H 3.12 
 &rst iat=  536, 546, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU HA  35 ALA H 4.03 
 &rst iat=  483, 536, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  35 ALA H 4.53 
 &rst iat=  502, 536, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID 2HB 3HB    35 ALA H 3.54 
 &rst iat= -1, 536, r1= 3.47, r2= 3.97, r3= 3.97, r4= 4.47,
 igr1= 523, 524,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU HB3  35 ALA H 5.15 
 &rst iat=  486, 536, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    35 ALA H 3.02 
 &rst iat= 536, -1, r1= 3.13, r2= 3.63, r3= 3.63, r4= 4.13,
 igr1= 0,  igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    35 ALA H 5.50 
 &rst iat= -1, 536, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU CG  35 ALA H 5.50 
 &rst iat=  506, 536, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID HD2  35 ALA H 5.50 
 &rst iat=  532, 536, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID 2HB 3HB    34 HID H 3.00 
 &rst iat= 519, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 523, 524,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU CG  34 HID H 5.50 
 &rst iat=  506, 519, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN H  55 ARG H 5.39 
 &rst iat=  820, 856, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 GLU HA  55 ARG H 4.00 
 &rst iat=  807, 856, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG H  55 ARG HD2 5.11 
 &rst iat=  856, 866, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 VAL HB  55 ARG H 5.50 
 &rst iat=  709, 856, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    55 ARG H 3.20 
 &rst iat= 856, -1, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 0,  igr2= 861, 860,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ARG H  55 ARG HG2 4.03 
 &rst iat=  856, 863, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU HB2  55 ARG H 4.19 
 &rst iat=  841, 856, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    55 ARG H 5.50 
 &rst iat= -1, 856, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LYS H  93 ASP H 4.08 
 &rst iat=  1397, 1438, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  95 LEU H 4.53 
 &rst iat=  1438, 1457, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  96 LEU H 5.01 
 &rst iat=  1438, 1476, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  93 ASP H 5.39 
 &rst iat=  1343, 1438, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HA  93 ASP H 5.25 
 &rst iat=  1399, 1438, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  93 ASP HB3 3.50 
 &rst iat=  1438, 1443, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP H  93 ASP HB2 3.04 
 &rst iat=  1438, 1442, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB3  93 ASP H 3.33 
 &rst iat=  1424, 1438, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HG  93 ASP H 4.42 
 &rst iat=  1426, 1438, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HB2  93 ASP H 3.90 
 &rst iat=  1423, 1438, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU CG  93 ASP H 4.56 
 &rst iat=  1425, 1438, r1= 4.06, r2= 4.56,
 r3= 8.96, r4= 9.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU H  86 LEU H 4.43 
 &rst iat=  1297, 1322, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA H  86 LEU H 3.31 
 &rst iat=  1312, 1322, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU H  34 HID H 3.48 
 &rst iat=  500, 519, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 LEU H  34 HID H 4.56 
 &rst iat=  481, 519, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  34 HID HD2 4.59 
 &rst iat=  519, 532, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS HA  34 HID H 3.97 
 &rst iat=  461, 519, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HB2  34 HID H 3.59 
 &rst iat=  504, 519, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    34 HID H 5.19 
 &rst iat= 519, -1, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 0,  igr2= 540, 542, 541,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HB3  34 HID H 4.15 
 &rst iat=  505, 519, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 3HD1 1HD1 2HD1    34 HID H 4.69 
 &rst iat= 519, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 633, 631, 632,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 HID H  35 ALA HA 5.50 
 &rst iat=  519, 538, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU H  85 ALA HA 5.50 
 &rst iat=  1297, 1314, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLU 3HG 2HG    84 GLU H 3.30 
 &rst iat= 1297, -1, r1= 3.20, r2= 3.70, r3= 3.70, r4= 4.20,
 igr1= 0,  igr2= 1305, 1304,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HB3  84 GLU H 2.83 
 &rst iat=  1283, 1297, r1= 2.33, r2= 2.83,
 r3= 2.83, r4= 3.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU HG  84 GLU H 4.16 
 &rst iat=  1285, 1297, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 2HD2 3HD2 1HD2    84 GLU H 5.16 
 &rst iat= -1, 1297, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 1292, 1293, 1291,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 2HD1 1HD1 3HD1    84 GLU H 5.16 
 &rst iat= -1, 1297, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 1288, 1287, 1289,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS 2HB 3HB    63 LYS H 3.72 
 &rst iat= 990, -1, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 0,  igr2= 994, 995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN H  63 LYS H 5.48 
 &rst iat=  942, 990, r1= 4.98, r2= 5.48,
 r3= 5.48, r4= 5.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  63 LYS H 3.07 
 &rst iat=  969, 990, r1= 2.57, r2= 3.07,
 r3= 3.07, r4= 3.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HA  63 LYS H 4.82 
 &rst iat=  944, 990, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS H  63 LYS HA 2.86 
 &rst iat=  990, 992, r1= 2.36, r2= 2.86,
 r3= 2.86, r4= 3.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR 2HB 3HB    63 LYS H 5.41 
 &rst iat= -1, 990, r1= 5.57, r2= 6.07, r3= 6.07, r4= 6.57,
 igr1= 925, 926,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HB3  63 LYS H 5.22 
 &rst iat=  974, 990, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR HB2  63 LYS H 4.40 
 &rst iat=  973, 990, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 3HD 2HD    63 LYS H 4.35 
 &rst iat= 990, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 1001, 1000,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 LYS H  63 LYS HG3 4.43 
 &rst iat=  990, 998, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS H  63 LYS HG2 4.15 
 &rst iat=  990, 997, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 ALA HA  63 LYS H 5.17 
 &rst iat=  961, 990, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  16 VAL H 5.21 
 &rst iat=  204, 220, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  91 LYS H 4.69 
 &rst iat=  1375, 1397, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  91 LYS H 4.68 
 &rst iat=  1343, 1397, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  91 LYS HB3 3.42 
 &rst iat=  1397, 1402, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS H  91 LYS HB2 3.02 
 &rst iat=  1397, 1401, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS 3HG 2HG    91 LYS H 3.62 
 &rst iat= 1397, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 1405, 1404,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 LEU HB3  91 LYS H 4.31 
 &rst iat=  1327, 1397, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  41 THR H 4.80 
 &rst iat=  204, 637, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS H  15 VAL H 3.51 
 &rst iat=  182, 204, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  40 ILE HA 3.73 
 &rst iat=  204, 620, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB3  15 VAL H 3.92 
 &rst iat=  173, 204, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN HB2  15 VAL H 4.19 
 &rst iat=  172, 204, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB3  15 VAL H 3.38 
 &rst iat=  187, 204, r1= 2.88, r2= 3.38,
 r3= 3.38, r4= 3.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LYS HB2  15 VAL H 3.91 
 &rst iat=  186, 204, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  15 VAL HB 3.36 
 &rst iat=  204, 208, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL H  15 VAL CB 3.51 
 &rst iat=  204, 207, r1= 3.01, r2= 3.51,
 r3= 7.91, r4= 8.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN H  61 ALA H 3.48 
 &rst iat=  942, 959, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR H  61 ALA H 5.45 
 &rst iat=  921, 959, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 ALA H  63 LYS H 4.54 
 &rst iat=  959, 990, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HG 3HG    61 ALA H 4.83 
 &rst iat= -1, 959, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 949, 950,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    61 ALA H 3.16 
 &rst iat= 959, -1, r1= 3.29, r2= 3.79, r3= 3.79, r4= 4.29,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS H  11 LYS HB3 3.71 
 &rst iat=  139, 144, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU H  31 LYS H 3.34 
 &rst iat=  444, 459, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA H  30 GLU H 3.40 
 &rst iat=  434, 444, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU H  30 GLU HG3 3.37 
 &rst iat=  444, 452, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    30 GLU H 3.16 
 &rst iat= 444, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 448, 449,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU H  30 GLU HG2 3.95 
 &rst iat=  444, 451, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 1HB 3HB 2HB    30 GLU H 3.62 
 &rst iat= -1, 444, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 438, 440, 439,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS H  13 ASN H 5.24 
 &rst iat=  139, 168, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    11 LYS H 5.50 
 &rst iat= 139, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE H  11 LYS H 3.51 
 &rst iat=  120, 139, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS H  12 GLY H 3.16 
 &rst iat=  139, 161, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER HA  11 LYS H 4.40 
 &rst iat=  94, 139, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET HA  11 LYS H 4.91 
 &rst iat=  105, 139, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS H  12 GLY HA2 5.05 
 &rst iat=  139, 163, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS H  11 LYS HB2 3.17 
 &rst iat=  139, 143, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HD 2HD    11 LYS H 3.78 
 &rst iat= 139, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 150, 149,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LYS 3HG 2HG    11 LYS H 4.14 
 &rst iat= 139, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 147, 146,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    11 LYS H 3.95 
 &rst iat= -1, 139, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 130, 131,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    11 LYS H 5.50 
 &rst iat= -1, 139, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 126, 127, 128,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    11 LYS H 4.99 
 &rst iat= -1, 139, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 ASP H  40 ILE H 4.21 
 &rst iat=  606, 618, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE H  41 THR H 4.72 
 &rst iat=  618, 637, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HA  40 ILE H 2.98 
 &rst iat=  608, 618, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HB2  40 ILE H 4.69 
 &rst iat=  610, 618, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HB3  40 ILE H 4.71 
 &rst iat=  611, 618, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE H  40 ILE HB 3.67 
 &rst iat=  618, 622, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 VAL CB  40 ILE H 4.84 
 &rst iat=  207, 618, r1= 4.34, r2= 4.84,
 r3= 9.24, r4= 9.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE 2HG2 3HG2 1HG2    40 ILE H 3.37 
 &rst iat= 618, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 625, 626, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 VAL HB  40 ILE H 5.03 
 &rst iat=  208, 618, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY H  96 LEU H 5.21 
 &rst iat=  1450, 1476, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LEU HA  96 LEU H 4.33 
 &rst iat=  1421, 1476, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 GLY HA3  96 LEU H 5.06 
 &rst iat=  1453, 1476, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB2  96 LEU H 3.57 
 &rst iat=  1461, 1476, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU HB2 3.03 
 &rst iat=  1476, 1480, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU HG 3.29 
 &rst iat=  1476, 1483, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU HB3  96 LEU H 3.95 
 &rst iat=  1462, 1476, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LEU CG  96 LEU H 4.68 
 &rst iat=  1463, 1476, r1= 4.18, r2= 4.68,
 r3= 9.08, r4= 9.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 LEU H  96 LEU CG 4.10 
 &rst iat=  1476, 1482, r1= 3.60, r2= 4.10,
 r3= 8.50, r4= 9.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  36 ARG H 5.04 
 &rst iat=  519, 546, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID HA  36 ARG H 4.33 
 &rst iat=  521, 546, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    36 ARG H 4.37 
 &rst iat= 546, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 556, 557,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG H  36 ARG HB2 3.26 
 &rst iat=  546, 550, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA 1HB 3HB 2HB    36 ARG H 3.83 
 &rst iat= -1, 546, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 540, 542, 541,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 LEU 2HD1 3HD1 1HD1    36 ARG H 4.68 
 &rst iat= -1, 546, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 491, 492, 490,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 GLU H  89 GLU HB3 3.69 
 &rst iat=  1375, 1380, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS H  89 GLU H 3.49 
 &rst iat=  1353, 1375, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 ALA HA  89 GLU H 4.76 
 &rst iat=  1314, 1375, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  89 GLU HG3 3.72 
 &rst iat=  1375, 1383, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  89 GLU HB2 2.96 
 &rst iat=  1375, 1379, r1= 2.46, r2= 2.96,
 r3= 2.96, r4= 3.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LYS 3HG 2HG    89 GLU H 4.90 
 &rst iat= -1, 1375, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 1361, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 ASN H  14 LYS H 4.56 
 &rst iat=  168, 182, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN H  13 ASN HB3 4.01 
 &rst iat=  168, 173, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 ASN H  13 ASN HB2 3.87 
 &rst iat=  168, 172, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 GLY H  13 ASN H 3.30 
 &rst iat=  161, 168, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 VAL 1HG2 3HG2 2HG2    13 ASN H 3.31 
 &rst iat= 168, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 230, 232, 231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 VAL 3HG1 2HG1 1HG1    13 ASN H 5.20 
 &rst iat= 168, -1, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 0,  igr2= 228, 227, 226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE H  10 ILE HB 3.92 
 &rst iat=  120, 124, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ALA H  10 ILE H 5.50 
 &rst iat=  82, 120, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE H  18 PHE HZ 5.50 
 &rst iat=  120, 264, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET H  10 ILE H 3.56 
 &rst iat=  103, 120, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET HG2  10 ILE H 5.50 
 &rst iat=  110, 120, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET 2HB 3HB    10 ILE H 3.90 
 &rst iat= -1, 120, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 107, 108,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HG1 3HG1    10 ILE H 3.30 
 &rst iat= 120, -1, r1= 3.20, r2= 3.70, r3= 3.70, r4= 4.20,
 igr1= 0,  igr2= 130, 131,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 1HG2 2HG2 3HG2    10 ILE H 4.79 
 &rst iat= 120, -1, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 0,  igr2= 126, 127, 128,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    10 ILE H 3.72 
 &rst iat= 120, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 134, 133, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG H  37 THR H 2.83 
 &rst iat=  546, 570, r1= 2.33, r2= 2.83,
 r3= 2.83, r4= 3.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA H  37 THR H 4.47 
 &rst iat=  536, 570, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 ALA HA  37 THR H 5.24 
 &rst iat=  538, 570, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR H  37 THR HB 3.83 
 &rst iat=  570, 574, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  37 THR H 4.93 
 &rst iat=  502, 570, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR H  92 LEU CG 4.97 
 &rst iat=  570, 1425, r1= 4.47, r2= 4.97,
 r3= 9.37, r4= 9.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 HID H  37 THR H 5.28 
 &rst iat=  519, 570, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 THR H  38 LYS H 4.49 
 &rst iat=  570, 584, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG 2HD 3HD    37 THR H 4.81 
 &rst iat= -1, 570, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 556, 557,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 ARG HB3  37 THR H 4.10 
 &rst iat=  551, 570, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 ARG HB2  37 THR H 3.83 
 &rst iat=  550, 570, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN H  62 TYR H 5.29 
 &rst iat=  942, 969, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  64 HID H 4.60 
 &rst iat=  969, 1012, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 ILE HA  62 TYR H 4.54 
 &rst iat=  904, 969, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  63 LYS HA 4.35 
 &rst iat=  969, 992, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  62 TYR HB3 4.17 
 &rst iat=  969, 974, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 TYR H  62 TYR HB2 3.77 
 &rst iat=  969, 973, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 LYS 2HB 3HB    62 TYR H 5.32 
 &rst iat= 969, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 994, 995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 ALA 1HB 2HB 3HB    62 TYR H 3.73 
 &rst iat= -1, 969, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 963, 964, 965,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 TYR HE2 HE1    62 TYR H 5.50 
 &rst iat= 969, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 984, 979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 VAL H  68 PRO HA 5.12 
 &rst iat=  1058, 1084, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 THR HA  67 VAL H 2.88 
 &rst iat=  1046, 1058, r1= 2.38, r2= 2.88,
 r3= 2.88, r4= 3.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG HG3  56 GLY H 4.75 
 &rst iat=  864, 880, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU H  56 GLY H 4.37 
 &rst iat=  837, 880, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 GLY H  57 GLU H 3.54 
 &rst iat=  880, 887, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 GLY H  57 GLU HG2 5.50 
 &rst iat=  880, 894, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ARG 3HB 2HB    56 GLY H 3.49 
 &rst iat= -1, 880, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 861, 860,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 SER H  10 ILE H 5.50 
 &rst iat=  92, 120, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER H  9 MET H 3.45 
 &rst iat=  92, 103, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 SER HA  8 SER H 5.16 
 &rst iat=  54, 92, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER 3HB 2HB    8 SER H 3.26 
 &rst iat= 92, -1, r1= 3.16, r2= 3.66, r3= 3.66, r4= 4.16,
 igr1= 0,  igr2= 97, 96,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA 2HB 3HB 1HB    8 SER H 3.88 
 &rst iat= -1, 92, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 87, 88, 86,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ALA H  8 SER H 3.72 
 &rst iat=  82, 92, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 SER H  9 MET HG2 5.50 
 &rst iat=  92, 110, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLY HA2  79 GLY H 3.15 
 &rst iat=  1232, 1237, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 GLY H  80 CYS H 5.50 
 &rst iat=  1237, 1244, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ILE 2HD1 3HD1 1HD1    79 GLY H 5.50 
 &rst iat= -1, 1237, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1112, 1113, 1111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HA  51 GLY H 4.98 
 &rst iat=  707, 798, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU H  51 GLY H 3.89 
 &rst iat=  783, 798, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 GLY H  52 GLU H 3.84 
 &rst iat=  798, 805, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 SER HA  51 GLY H 4.64 
 &rst iat=  774, 798, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 SER 2HB 3HB    51 GLY H 5.40 
 &rst iat= -1, 798, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 776, 777,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 VAL HB  51 GLY H 4.48 
 &rst iat=  709, 798, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 GLU HB3  51 GLY H 5.03 
 &rst iat=  788, 798, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LEU 1HD2 2HD2 3HD2    51 GLY H 5.43 
 &rst iat= 798, -1, r1= 6.02, r2= 6.52, r3= 6.52, r4= 7.02,
 igr1= 0,  igr2= 850, 851, 852,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LYS H  90 GLY H 4.61 
 &rst iat=  1353, 1390, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU H  90 GLY H 3.30 
 &rst iat=  1375, 1390, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLY H  92 LEU H 4.24 
 &rst iat=  1390, 1419, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ASP HA  90 GLY H 4.36 
 &rst iat=  1343, 1390, r1= 3.86, r2= 4.36,
 r3= 4.36, r4= 4.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 GLU HB2  90 GLY H 4.15 
 &rst iat=  1379, 1390, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLY H  91 LYS HB2 4.88 
 &rst iat=  1390, 1401, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 THR H  67 VAL H 4.89 
 &rst iat=  1044, 1058, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 TYR HE1 HE2    66 THR H 5.39 
 &rst iat= -1, 1044, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 931, 936,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 THR H  66 THR HB 4.21 
 &rst iat=  1044, 1048, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU 2HG 3HG    66 THR H 5.50 
 &rst iat= -1, 1044, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1036, 1037,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 GLU H  66 THR H 3.90 
 &rst iat=  1029, 1044, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU HB3  66 THR H 4.60 
 &rst iat=  1034, 1044, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 GLU HB2  66 THR H 4.39 
 &rst iat=  1033, 1044, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LYS HA  94 GLY H 4.89 
 &rst iat=  1399, 1450, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB3  94 GLY H 4.35 
 &rst iat=  1443, 1450, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ASP HB2  94 GLY H 3.89 
 &rst iat=  1442, 1450, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE H  12 GLY H 5.26 
 &rst iat=  120, 161, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 MET HA  12 GLY H 4.89 
 &rst iat=  105, 161, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HB3  12 GLY H 4.87 
 &rst iat=  144, 161, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HB2  12 GLY H 4.80 
 &rst iat=  143, 161, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS 3HD 2HD    12 GLY H 5.50 
 &rst iat= -1, 161, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 150, 149,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ASN HB3  74 GLY H 5.19 
 &rst iat=  1161, 1170, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE HA  74 GLY H 4.61 
 &rst iat=  1139, 1170, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LYS HA  74 GLY H 5.36 
 &rst iat=  141, 1170, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB3  74 GLY H 5.09 
 &rst iat=  1122, 1170, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ILE HB  74 GLY H 5.29 
 &rst iat=  124, 1170, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 ILE 3HG2 2HG2 1HG2    74 GLY H 5.50 
 &rst iat= -1, 1170, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1145, 1144, 1143,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ILE 2HD1 1HD1 3HD1    74 GLY H 5.50 
 &rst iat= -1, 1170, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 134, 133, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end

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