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
	626728	6ez4	34200	cing	1-original	1	AMBER	distance	NOE	simple

# Restraints file 1: 535665_amber.in
#
#  8 ALA HA  9 THR H 3.06 
 &rst iat=  108, 116, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 THR H  9 THR HB 3.83 
 &rst iat=  116, 120, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 THR 3HG2 2HG2 1HG2    9 THR H 3.76 
 &rst iat= 116, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 124, 123, 122,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    10 THR H 3.50 
 &rst iat= 130, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 136, 137, 138,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 THR HB  10 THR H 4.19 
 &rst iat=  120, 130, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 THR HA  10 THR H 2.73 
 &rst iat=  118, 130, r1= 2.23, r2= 2.73,
 r3= 2.73, r4= 3.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL 3HG1 1HG1 2HG1    11 VAL H 4.06 
 &rst iat= 144, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 152, 150, 151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    11 VAL H 3.70 
 &rst iat= -1, 144, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 136, 137, 138,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR HB  11 VAL H 3.42 
 &rst iat=  134, 144, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR HA  11 VAL H 2.64 
 &rst iat=  132, 144, r1= 2.14, r2= 2.64,
 r3= 2.64, r4= 3.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL HA  12 LEU H 2.44 
 &rst iat=  146, 160, r1= 1.94, r2= 2.44,
 r3= 2.44, r4= 2.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU H  13 PRO HD3 4.74 
 &rst iat=  160, 181, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU H  13 PRO HD2 4.74 
 &rst iat=  160, 180, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU H  12 LEU HB3 3.67 
 &rst iat=  160, 165, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU H  12 LEU HG 3.20 
 &rst iat=  160, 167, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU H  12 LEU HB2 2.92 
 &rst iat=  160, 164, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    12 LEU H 3.82 
 &rst iat= 160, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 174, 173, 175,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 VAL 3HG2 1HG2 2HG2    12 LEU H 4.11 
 &rst iat= -1, 160, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 156, 154, 155,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    12 LEU H 3.82 
 &rst iat= 160, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 170, 169, 171,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE H  15 ILE HG12 3.59 
 &rst iat=  207, 217, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    15 ILE H 3.78 
 &rst iat= 207, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 213, 215, 214,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    15 ILE H 3.39 
 &rst iat= 207, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 220, 221, 222,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE H  15 ILE HB 2.92 
 &rst iat=  207, 211, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE H  15 ILE HG13 3.05 
 &rst iat=  207, 218, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 PRO HB2  15 ILE H 3.07 
 &rst iat=  200, 207, r1= 2.57, r2= 3.07,
 r3= 3.07, r4= 3.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 PRO HB3  15 ILE H 3.80 
 &rst iat=  201, 207, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 PRO 2HD 3HD    15 ILE H 5.44 
 &rst iat= -1, 207, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 194, 195,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 PRO HA  15 ILE H 2.91 
 &rst iat=  203, 207, r1= 2.41, r2= 2.91,
 r3= 2.91, r4= 3.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HE2 HE1    15 ILE H 5.21 
 &rst iat= 207, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE H  42 GLN HE21 5.51 
 &rst iat=  207, 667, r1= 5.01, r2= 5.51,
 r3= 5.51, r4= 6.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE H  42 GLN HE22 4.69 
 &rst iat=  207, 668, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    17 ALA H 2.66 
 &rst iat= 240, -1, r1= 2.69, r2= 3.19, r3= 3.19, r4= 3.69,
 igr1= 0,  igr2= 244, 246, 245,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HG2  17 ALA H 4.48 
 &rst iat=  230, 240, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB3  17 ALA H 4.02 
 &rst iat=  234, 240, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA H  21 GLN HB2 3.60 
 &rst iat=  240, 299, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    17 ALA H 3.85 
 &rst iat= 240, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN 2HB 3HB    17 ALA H 5.24 
 &rst iat= 240, -1, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 0,  igr2= 254, 255,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HA  17 ALA H 2.86 
 &rst iat=  236, 240, r1= 2.36, r2= 2.86,
 r3= 2.86, r4= 3.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA H  18 ASN HA 4.95 
 &rst iat=  240, 252, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE H  23 GLU H 5.49 
 &rst iat=  275, 331, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    18 ASN H 3.45 
 &rst iat= 250, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    18 ASN H 6.01 
 &rst iat= -1, 250, r1= 6.72, r2= 7.22, r3= 7.22, r4= 7.72,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    18 ASN H 2.97 
 &rst iat= -1, 250, r1= 3.07, r2= 3.57, r3= 3.57, r4= 4.07,
 igr1= 244, 246, 245,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HG2  18 ASN H 5.04 
 &rst iat=  230, 250, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN H  21 GLN HB2 3.30 
 &rst iat=  250, 299, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB2  18 ASN H 3.72 
 &rst iat=  233, 250, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN 2HB 3HB    18 ASN H 3.65 
 &rst iat= 250, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 254, 255,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN H  19 SER HA 5.55 
 &rst iat=  250, 266, r1= 5.05, r2= 5.55,
 r3= 5.55, r4= 6.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN H  51 LEU HA 6.09 
 &rst iat=  250, 809, r1= 5.59, r2= 6.09,
 r3= 6.09, r4= 6.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN H  21 GLN HA 6.10 
 &rst iat=  250, 297, r1= 5.60, r2= 6.10,
 r3= 6.10, r4= 6.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HA  18 ASN H 4.39 
 &rst iat=  236, 250, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN H  18 ASN HD22 4.40 
 &rst iat=  250, 260, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA H  18 ASN H 2.81 
 &rst iat=  240, 250, r1= 2.31, r2= 2.81,
 r3= 2.81, r4= 3.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE 2HB 3HB    18 ASN HD21 4.00 
 &rst iat= 259, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 279, 280,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN HA  18 ASN HD21 4.72 
 &rst iat=  252, 259, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN HD21  21 GLN H 4.65 
 &rst iat=  259, 295, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN HD21  20 PHE H 4.52 
 &rst iat=  259, 275, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    18 ASN HD22 4.97 
 &rst iat= 260, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 PHE 2HB 3HB    18 ASN HD22 3.42 
 &rst iat= 260, -1, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 0,  igr2= 279, 280,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN HA  18 ASN HD22 5.00 
 &rst iat=  252, 260, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    19 SER H 4.25 
 &rst iat= 264, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    71 PHE H 4.74 
 &rst iat= 1147, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN 2HB 3HB    19 SER H 3.22 
 &rst iat= -1, 264, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 254, 255,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER 3HB 2HB    19 SER H 3.92 
 &rst iat= 264, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 269, 268,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN HA  19 SER H 3.43 
 &rst iat=  252, 264, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER H  21 GLN H 4.69 
 &rst iat=  264, 295, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN HD22  19 SER H 5.39 
 &rst iat=  260, 264, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE H  22 LEU HB2 5.91 
 &rst iat=  275, 316, r1= 5.41, r2= 5.91,
 r3= 5.91, r4= 6.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE H  22 LEU HB3 5.38 
 &rst iat=  275, 317, r1= 4.88, r2= 5.38,
 r3= 5.38, r4= 5.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE H  21 GLN HB2 5.12 
 &rst iat=  275, 299, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    20 PHE H 4.83 
 &rst iat= 275, -1, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN 2HB 3HB    20 PHE H 3.11 
 &rst iat= -1, 275, r1= 2.99, r2= 3.49, r3= 3.49, r4= 3.99,
 igr1= 254, 255,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 PHE 2HB 3HB    20 PHE H 3.22 
 &rst iat= 275, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 279, 280,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER 3HB 2HB    20 PHE H 4.07 
 &rst iat= -1, 275, r1= 4.07, r2= 4.57, r3= 4.57, r4= 5.07,
 igr1= 269, 268,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN HA  20 PHE H 5.02 
 &rst iat=  252, 275, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE HD1 HD2    20 PHE H 3.69 
 &rst iat= 275, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 0,  igr2= 283, 291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN H  20 PHE H 5.05 
 &rst iat=  250, 275, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE H  21 GLN H 2.92 
 &rst iat=  275, 295, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN HD22  20 PHE H 4.35 
 &rst iat=  260, 275, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    21 GLN H 5.53 
 &rst iat= -1, 295, r1= 6.14, r2= 6.64, r3= 6.64, r4= 7.14,
 igr1= 244, 246, 245,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 GLN H  22 LEU HB2 5.85 
 &rst iat=  295, 316, r1= 5.35, r2= 5.85,
 r3= 5.85, r4= 6.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN H  22 LEU HB3 5.30 
 &rst iat=  295, 317, r1= 4.80, r2= 5.30,
 r3= 5.30, r4= 5.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN H  21 GLN HB3 3.63 
 &rst iat=  295, 300, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN H  21 GLN HB2 3.17 
 &rst iat=  295, 299, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    21 GLN H 3.38 
 &rst iat= 295, -1, r1= 3.29, r2= 3.79, r3= 3.79, r4= 4.29,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 PHE 2HB 3HB    21 GLN H 3.17 
 &rst iat= -1, 295, r1= 3.06, r2= 3.56, r3= 3.56, r4= 4.06,
 igr1= 279, 280,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 SER 3HB 2HB    47 LEU H 3.69 
 &rst iat= -1, 731, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 725, 724,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU H  49 PRO HD2 3.87 
 &rst iat=  731, 772, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN H  21 GLN H 3.87 
 &rst iat=  250, 295, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 ASN HD22  21 GLN H 4.49 
 &rst iat=  260, 295, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA H  21 GLN HE21 4.85 
 &rst iat=  240, 307, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    21 GLN HE21 4.34 
 &rst iat= -1, 307, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 244, 246, 245,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 GLN HB3  21 GLN HE21 4.73 
 &rst iat=  300, 307, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HB2  21 GLN HE21 4.76 
 &rst iat=  299, 307, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    21 GLN HE21 3.20 
 &rst iat= -1, 307, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 302, 303,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HA  21 GLN HE21 4.81 
 &rst iat=  236, 307, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HA  21 GLN HE22 4.79 
 &rst iat=  236, 308, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HA  21 GLN HE22 4.94 
 &rst iat=  297, 308, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HB2  21 GLN HE22 4.86 
 &rst iat=  299, 308, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HB3  21 GLN HE22 4.49 
 &rst iat=  300, 308, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    21 GLN HE22 5.21 
 &rst iat= -1, 308, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 244, 246, 245,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    22 LEU H 4.25 
 &rst iat= 312, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 322, 321, 323,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    22 LEU H 4.62 
 &rst iat= 312, -1, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    22 LEU H 5.21 
 &rst iat= 312, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU H  22 LEU HB2 3.42 
 &rst iat=  312, 316, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU H  22 LEU HG 4.61 
 &rst iat=  312, 319, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU H  22 LEU HB3 3.43 
 &rst iat=  312, 317, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB3  22 LEU H 3.91 
 &rst iat=  234, 312, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HB3  22 LEU H 4.31 
 &rst iat=  300, 312, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HB2  22 LEU H 3.54 
 &rst iat=  299, 312, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU H  23 GLU HG2 4.31 
 &rst iat=  312, 338, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    22 LEU H 4.25 
 &rst iat= -1, 312, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 302, 303,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 PHE 2HB 3HB    22 LEU H 4.87 
 &rst iat= -1, 312, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 279, 280,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU H  23 GLU HA 5.53 
 &rst iat=  312, 333, r1= 5.03, r2= 5.53,
 r3= 5.53, r4= 6.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HA  22 LEU H 3.57 
 &rst iat=  266, 312, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE H  22 LEU H 4.19 
 &rst iat=  275, 312, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN H  22 LEU H 3.14 
 &rst iat=  295, 312, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU H  23 GLU H 3.51 
 &rst iat=  312, 331, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU H  25 ASP H 4.90 
 &rst iat=  312, 357, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    23 GLU H 4.52 
 &rst iat= -1, 331, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 322, 321, 323,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    23 GLU H 5.02 
 &rst iat= 331, -1, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    23 GLU H 4.52 
 &rst iat= -1, 331, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 326, 325, 327,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU HB3  23 GLU H 3.80 
 &rst iat=  317, 331, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HG  23 GLU H 4.52 
 &rst iat=  319, 331, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU H  23 GLU HB2 3.75 
 &rst iat=  331, 335, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB2  17 ALA H 3.55 
 &rst iat=  233, 240, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU H  23 GLU HB3 3.75 
 &rst iat=  331, 336, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU H  23 GLU HG2 3.35 
 &rst iat=  331, 338, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HA  23 GLU H 3.90 
 &rst iat=  266, 331, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA H  21 GLN HA 5.83 
 &rst iat=  240, 297, r1= 5.33, r2= 5.83,
 r3= 5.83, r4= 6.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HA  23 GLU H 6.42 
 &rst iat=  297, 331, r1= 5.92, r2= 6.42,
 r3= 6.42, r4= 6.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU H  24 SER HB3 6.50 
 &rst iat=  331, 351, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE HA  23 GLU H 4.44 
 &rst iat=  277, 331, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA H  21 GLN HE22 4.66 
 &rst iat=  240, 308, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU H  26 PHE H 4.99 
 &rst iat=  331, 369, r1= 4.49, r2= 4.99,
 r3= 4.99, r4= 5.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    24 SER H 5.36 
 &rst iat= 346, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU HB3  24 SER H 4.71 
 &rst iat=  317, 346, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HG3  24 SER H 3.31 
 &rst iat=  339, 346, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HG2  24 SER H 4.06 
 &rst iat=  338, 346, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    24 SER H 5.77 
 &rst iat= -1, 346, r1= 5.98, r2= 6.48, r3= 6.48, r4= 6.98,
 igr1= 302, 303,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 SER H  25 ASP HB2 4.78 
 &rst iat=  346, 361, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE 2HB 3HB    24 SER H 5.39 
 &rst iat= -1, 346, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 279, 280,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 SER H  24 SER HB2 2.99 
 &rst iat=  346, 350, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER H  24 SER HB3 2.90 
 &rst iat=  346, 351, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER H  25 ASP HA 5.46 
 &rst iat=  346, 359, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE HA  24 SER H 4.49 
 &rst iat=  277, 346, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HA  24 SER H 5.01 
 &rst iat=  314, 346, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU H  24 SER H 4.36 
 &rst iat=  312, 346, r1= 3.86, r2= 4.36,
 r3= 4.36, r4= 4.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU H  24 SER H 3.17 
 &rst iat=  331, 346, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER H  26 PHE H 4.27 
 &rst iat=  346, 369, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    25 ASP H 4.77 
 &rst iat= -1, 357, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 322, 321, 323,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    25 ASP H 4.77 
 &rst iat= -1, 357, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 326, 325, 327,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 ASP H  39 TYR HH 4.52 
 &rst iat=  357, 606, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP H  25 ASP HB3 3.67 
 &rst iat=  357, 362, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB3  25 ASP H 5.62 
 &rst iat=  234, 357, r1= 5.12, r2= 5.62,
 r3= 5.62, r4= 6.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HB3  25 ASP H 6.18 
 &rst iat=  300, 357, r1= 5.68, r2= 6.18,
 r3= 6.18, r4= 6.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HG3  25 ASP H 5.12 
 &rst iat=  339, 357, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP H  25 ASP HB2 3.38 
 &rst iat=  357, 361, r1= 2.88, r2= 3.38,
 r3= 3.38, r4= 3.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP H  26 PHE HB2 4.50 
 &rst iat=  357, 373, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HA  25 ASP H 4.43 
 &rst iat=  333, 357, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP H  26 PHE HA 5.18 
 &rst iat=  357, 371, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HB2  25 ASP H 3.79 
 &rst iat=  350, 357, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HB3  25 ASP H 3.19 
 &rst iat=  351, 357, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HA  25 ASP H 3.92 
 &rst iat=  314, 357, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HE2 HE1    25 ASP H 4.94 
 &rst iat= 357, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 ASP H  28 GLN HE21 5.33 
 &rst iat=  357, 425, r1= 4.83, r2= 5.33,
 r3= 5.33, r4= 5.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP H  27 ARG H 4.16 
 &rst iat=  357, 389, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER H  25 ASP H 3.06 
 &rst iat=  346, 357, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU H  25 ASP H 4.42 
 &rst iat=  331, 357, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP H  26 PHE H 3.25 
 &rst iat=  357, 369, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    26 PHE H 4.94 
 &rst iat= -1, 369, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 322, 321, 323,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    26 PHE H 5.65 
 &rst iat= 369, -1, r1= 6.29, r2= 6.79, r3= 6.79, r4= 7.29,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    26 PHE H 4.94 
 &rst iat= -1, 369, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 326, 325, 327,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    26 PHE H 4.66 
 &rst iat= 369, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE H  29 LEU HG 5.45 
 &rst iat=  369, 437, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HB3  26 PHE H 3.86 
 &rst iat=  362, 369, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE H  27 ARG HB3 4.94 
 &rst iat=  369, 394, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HG3  26 PHE H 6.02 
 &rst iat=  339, 369, r1= 5.52, r2= 6.02,
 r3= 6.02, r4= 6.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE H  28 GLN HB3 6.50 
 &rst iat=  369, 418, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HG2  26 PHE H 6.15 
 &rst iat=  338, 369, r1= 5.65, r2= 6.15,
 r3= 6.15, r4= 6.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE H  26 PHE HB3 3.49 
 &rst iat=  369, 374, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HB2  26 PHE H 3.80 
 &rst iat=  361, 369, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE H  26 PHE HB2 3.22 
 &rst iat=  369, 373, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HA  26 PHE H 3.79 
 &rst iat=  333, 369, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HB3  26 PHE H 5.09 
 &rst iat=  351, 369, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE H  27 ARG HA 5.35 
 &rst iat=  369, 391, r1= 4.85, r2= 5.35,
 r3= 5.35, r4= 5.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HA  26 PHE H 4.79 
 &rst iat=  348, 369, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HA  26 PHE H 4.76 
 &rst iat=  314, 369, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HE2 HE1    26 PHE H 4.50 
 &rst iat= 369, -1, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    26 PHE H 3.41 
 &rst iat= 369, -1, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 0,  igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE H  28 GLN H 4.03 
 &rst iat=  369, 413, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    27 ARG H 6.12 
 &rst iat= 389, -1, r1= 6.85, r2= 7.35, r3= 7.35, r4= 7.85,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    27 ARG H 4.86 
 &rst iat= 389, -1, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG H  27 ARG HG2 3.61 
 &rst iat=  389, 396, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG H  27 ARG HG3 3.61 
 &rst iat=  389, 397, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG H  27 ARG HB3 3.03 
 &rst iat=  389, 394, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG H  28 GLN HB3 4.72 
 &rst iat=  389, 418, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HB3  27 ARG H 3.62 
 &rst iat=  374, 389, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG H  27 ARG HD2 4.67 
 &rst iat=  389, 399, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG H  27 ARG HD3 4.67 
 &rst iat=  389, 400, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HB2  27 ARG H 3.64 
 &rst iat=  373, 389, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HA  27 ARG H 4.27 
 &rst iat=  333, 389, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HA  27 ARG H 3.78 
 &rst iat=  348, 389, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HA  27 ARG H 4.59 
 &rst iat=  359, 389, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    27 ARG H 4.70 
 &rst iat= -1, 389, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG H  28 GLN H 2.94 
 &rst iat=  389, 413, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE H  27 ARG H 3.24 
 &rst iat=  369, 389, r1= 2.74, r2= 3.24,
 r3= 3.24, r4= 3.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    28 GLN H 6.08 
 &rst iat= 413, -1, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    28 GLN H 6.49 
 &rst iat= 413, -1, r1= 7.29, r2= 7.79, r3= 7.79, r4= 8.29,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    28 GLN H 5.02 
 &rst iat= 413, -1, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN H  29 LEU HB2 4.93 
 &rst iat=  413, 434, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN H  29 LEU HG 4.37 
 &rst iat=  413, 437, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG HG2  28 GLN H 3.97 
 &rst iat=  396, 413, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG HG3  28 GLN H 3.97 
 &rst iat=  397, 413, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG HB3  28 GLN H 4.00 
 &rst iat=  394, 413, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN H  28 GLN HB2 3.63 
 &rst iat=  413, 417, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN H  28 GLN HB3 2.96 
 &rst iat=  413, 418, r1= 2.46, r2= 2.96,
 r3= 2.96, r4= 3.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN H  28 GLN HG2 3.73 
 &rst iat=  413, 420, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN H  28 GLN HG3 3.73 
 &rst iat=  413, 421, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HA  28 GLN H 4.66 
 &rst iat=  371, 413, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HA  28 GLN H 3.59 
 &rst iat=  359, 413, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN H  30 LYS H 4.14 
 &rst iat=  413, 449, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP H  28 GLN H 4.82 
 &rst iat=  357, 413, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    28 GLN HE21 4.61 
 &rst iat= 425, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    28 GLN HE21 4.02 
 &rst iat= 425, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO HG2  28 GLN HE21 4.60 
 &rst iat=  183, 425, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN H  28 GLN HE22 6.25 
 &rst iat=  413, 426, r1= 5.75, r2= 6.25,
 r3= 6.25, r4= 6.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HE22  29 LEU H 6.50 
 &rst iat=  426, 430, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    28 GLN HE22 4.22 
 &rst iat= 426, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN HB3  28 GLN HE22 4.84 
 &rst iat=  418, 426, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU H  29 LEU HB2 3.60 
 &rst iat=  430, 434, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU H  29 LEU HB3 3.85 
 &rst iat=  430, 435, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU H  29 LEU HG 3.26 
 &rst iat=  430, 437, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU H  30 LYS HB3 4.54 
 &rst iat=  430, 454, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HB2  29 LEU H 4.22 
 &rst iat=  417, 430, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HB3  29 LEU H 3.87 
 &rst iat=  418, 430, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HG2  29 LEU H 4.11 
 &rst iat=  420, 430, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HA  29 LEU H 3.75 
 &rst iat=  371, 430, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG HA  29 LEU H 4.64 
 &rst iat=  391, 430, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG H  29 LEU H 4.51 
 &rst iat=  389, 430, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE H  29 LEU H 4.95 
 &rst iat=  369, 430, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS H  32 SER H 4.16 
 &rst iat=  449, 482, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU H  30 LYS H 2.95 
 &rst iat=  430, 449, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS H  31 SER HA 5.44 
 &rst iat=  449, 473, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HA  30 LYS H 4.11 
 &rst iat=  415, 449, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS H  30 LYS HA 2.89 
 &rst iat=  449, 451, r1= 2.39, r2= 2.89,
 r3= 2.89, r4= 3.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS 2HE 3HE    30 LYS H 4.81 
 &rst iat= 449, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 462, 463,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 LYS H  30 LYS HB3 2.92 
 &rst iat=  449, 454, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS 2HD 3HD    30 LYS H 3.75 
 &rst iat= 449, -1, r1= 3.71, r2= 4.21, r3= 4.21, r4= 4.71,
 igr1= 0,  igr2= 459, 460,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU HG  30 LYS H 4.94 
 &rst iat=  437, 449, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS H  30 LYS HG3 3.68 
 &rst iat=  449, 457, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS H  30 LYS HG2 3.68 
 &rst iat=  449, 456, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU HB2  30 LYS H 4.17 
 &rst iat=  434, 449, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    30 LYS H 4.78 
 &rst iat= -1, 449, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    30 LYS H 4.36 
 &rst iat= 449, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    30 LYS H 4.76 
 &rst iat= 449, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    31 SER H 6.22 
 &rst iat= 471, -1, r1= 6.97, r2= 7.47, r3= 7.47, r4= 7.97,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    31 SER H 4.96 
 &rst iat= 471, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    31 SER H 5.38 
 &rst iat= -1, 471, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 LYS HG2  31 SER H 3.84 
 &rst iat=  456, 471, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HG3  31 SER H 3.84 
 &rst iat=  457, 471, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS 2HD 3HD    31 SER H 4.31 
 &rst iat= -1, 471, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 459, 460,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 LYS HB2  31 SER H 3.93 
 &rst iat=  453, 471, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HB3  31 SER H 4.00 
 &rst iat=  454, 471, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS 2HE 3HE    31 SER H 4.83 
 &rst iat= -1, 471, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 462, 463,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 SER H  33 PRO HD3 5.35 
 &rst iat=  471, 495, r1= 4.85, r2= 5.35,
 r3= 5.35, r4= 5.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER H  31 SER HB2 3.85 
 &rst iat=  471, 475, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER H  31 SER HB3 3.85 
 &rst iat=  471, 476, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS H  31 SER H 3.23 
 &rst iat=  449, 471, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER H  32 SER H 2.94 
 &rst iat=  471, 482, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  35 MET H 5.92 
 &rst iat=  482, 519, r1= 5.42, r2= 5.92,
 r3= 5.92, r4= 6.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER HA  32 SER H 3.45 
 &rst iat=  473, 482, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU HA  32 SER H 3.84 
 &rst iat=  432, 482, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 PRO HA 4.61 
 &rst iat=  482, 503, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER HB3  32 SER H 4.72 
 &rst iat=  476, 482, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER HB2  32 SER H 4.72 
 &rst iat=  475, 482, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  32 SER HB2 3.23 
 &rst iat=  482, 486, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 PRO HD3 3.76 
 &rst iat=  482, 495, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 PRO HB3 5.08 
 &rst iat=  482, 501, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 PRO HG2 5.67 
 &rst iat=  482, 497, r1= 5.17, r2= 5.67,
 r3= 5.67, r4= 6.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  35 MET HG3 5.56 
 &rst iat=  482, 527, r1= 5.06, r2= 5.56,
 r3= 5.56, r4= 6.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 PRO HG3 5.20 
 &rst iat=  482, 498, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HB3  32 SER H 5.51 
 &rst iat=  454, 482, r1= 5.01, r2= 5.51,
 r3= 5.51, r4= 6.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  35 MET HG2 5.02 
 &rst iat=  482, 526, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HB2  32 SER H 5.31 
 &rst iat=  453, 482, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  36 LEU HB2 5.65 
 &rst iat=  482, 540, r1= 5.15, r2= 5.65,
 r3= 5.65, r4= 6.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU HB3  32 SER H 4.46 
 &rst iat=  435, 482, r1= 3.96, r2= 4.46,
 r3= 4.46, r4= 4.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  36 LEU HG 4.39 
 &rst iat=  482, 543, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    32 SER H 5.79 
 &rst iat= 482, -1, r1= 6.45, r2= 6.95, r3= 6.95, r4= 7.45,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    32 SER H 4.85 
 &rst iat= -1, 482, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    32 SER H 4.61 
 &rst iat= 482, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    32 SER H 5.12 
 &rst iat= 482, -1, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU HB3  34 ASP H 6.50 
 &rst iat=  435, 507, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  36 LEU HB3 6.50 
 &rst iat=  507, 541, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  36 LEU HB2 5.22 
 &rst iat=  507, 540, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  36 LEU HG 5.70 
 &rst iat=  507, 543, r1= 5.20, r2= 5.70,
 r3= 5.70, r4= 6.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  35 MET HG2 4.59 
 &rst iat=  507, 526, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HG3  34 ASP H 4.14 
 &rst iat=  498, 507, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  35 MET HG3 5.25 
 &rst iat=  507, 527, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HG2  34 ASP H 3.16 
 &rst iat=  497, 507, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  35 MET HB3 5.44 
 &rst iat=  507, 524, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  34 ASP HB3 2.93 
 &rst iat=  507, 512, r1= 2.43, r2= 2.93,
 r3= 2.93, r4= 3.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  34 ASP HB2 3.08 
 &rst iat=  507, 511, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HD3  34 ASP H 3.93 
 &rst iat=  495, 507, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  34 ASP H 4.70 
 &rst iat=  486, 507, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HD2  34 ASP H 3.45 
 &rst iat=  494, 507, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  35 MET HA 5.51 
 &rst iat=  507, 521, r1= 5.01, r2= 5.51,
 r3= 5.51, r4= 6.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HA  34 ASP H 3.90 
 &rst iat=  484, 507, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  71 PHE HZ 3.88 
 &rst iat=  507, 1159, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    34 ASP H 4.42 
 &rst iat= 507, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 ASP H  35 MET H 2.97 
 &rst iat=  507, 519, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  36 LEU H 4.04 
 &rst iat=  507, 536, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  34 ASP H 5.28 
 &rst iat=  482, 507, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  36 LEU H 2.95 
 &rst iat=  519, 536, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  38 GLN H 5.61 
 &rst iat=  519, 576, r1= 5.11, r2= 5.61,
 r3= 5.61, r4= 6.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  71 PHE HZ 5.58 
 &rst iat=  519, 1159, r1= 5.08, r2= 5.58,
 r3= 5.58, r4= 6.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HA  35 MET H 4.51 
 &rst iat=  484, 519, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HA  35 MET H 4.26 
 &rst iat=  503, 519, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB3  35 MET H 3.65 
 &rst iat=  487, 519, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  35 MET H 3.85 
 &rst iat=  486, 519, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  35 MET HB2 3.71 
 &rst iat=  519, 523, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  35 MET HB3 3.29 
 &rst iat=  519, 524, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  35 MET HG3 3.25 
 &rst iat=  519, 527, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HG2  35 MET H 5.24 
 &rst iat=  497, 519, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  35 MET HG2 3.34 
 &rst iat=  519, 526, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  36 LEU HB2 4.45 
 &rst iat=  519, 540, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU HB3  35 MET H 5.16 
 &rst iat=  435, 519, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  36 LEU HG 4.66 
 &rst iat=  519, 543, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    35 MET H 5.11 
 &rst iat= 519, -1, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    35 MET H 5.32 
 &rst iat= -1, 519, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    36 LEU H 4.34 
 &rst iat= -1, 536, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    36 LEU H 3.84 
 &rst iat= 536, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU H  36 LEU HG 3.64 
 &rst iat=  536, 543, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU H  36 LEU HB3 3.61 
 &rst iat=  536, 541, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU H  36 LEU HB2 3.20 
 &rst iat=  536, 540, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    111 ALA H 2.57 
 &rst iat= 1857, -1, r1= 2.59, r2= 3.09, r3= 3.09, r4= 3.59,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 MET HG2  36 LEU H 3.50 
 &rst iat=  526, 536, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HB3  111 ALA H 4.10 
 &rst iat=  1838, 1857, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET HG3  36 LEU H 3.71 
 &rst iat=  527, 536, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET HB3  36 LEU H 4.24 
 &rst iat=  524, 536, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET HB2  36 LEU H 4.04 
 &rst iat=  523, 536, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    111 ALA H 4.95 
 &rst iat= 1857, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 0,  igr2= 1911, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HA  111 ALA H 3.64 
 &rst iat=  1806, 1857, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS HA  111 ALA H 4.21 
 &rst iat=  1784, 1857, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HA  36 LEU H 3.60 
 &rst iat=  503, 536, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HA  111 ALA H 3.53 
 &rst iat=  1835, 1857, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA H  112 LEU H 3.09 
 &rst iat=  1857, 1867, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG H  111 ALA H 2.94 
 &rst iat=  1833, 1857, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID HD2  111 ALA H 4.67 
 &rst iat=  1131, 1857, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR H  39 TYR H 4.47 
 &rst iat=  555, 593, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP H  37 TYR H 5.45 
 &rst iat=  507, 555, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU H  37 TYR H 3.48 
 &rst iat=  536, 555, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET H  37 TYR H 4.24 
 &rst iat=  519, 555, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    37 TYR H 4.77 
 &rst iat= 555, -1, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR H  38 GLN H 3.35 
 &rst iat=  555, 576, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HA  37 TYR H 4.52 
 &rst iat=  503, 555, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR H  37 TYR HB3 3.29 
 &rst iat=  555, 560, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR H  38 GLN HG2 4.88 
 &rst iat=  555, 583, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR H  37 TYR HB2 3.36 
 &rst iat=  555, 559, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU HB2  37 TYR H 3.78 
 &rst iat=  540, 555, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU HB3  37 TYR H 3.72 
 &rst iat=  541, 555, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    37 TYR H 3.61 
 &rst iat= 555, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    37 TYR H 3.62 
 &rst iat= 555, -1, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    37 TYR H 4.76 
 &rst iat= -1, 555, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 547, 546, 545,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    38 GLN H 6.47 
 &rst iat= -1, 576, r1= 7.27, r2= 7.77, r3= 7.77, r4= 8.27,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    38 GLN H 6.50 
 &rst iat= -1, 576, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 550, 549, 551,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    38 GLN H 4.32 
 &rst iat= -1, 576, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 170, 169, 171,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    38 GLN H 4.32 
 &rst iat= -1, 576, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 174, 173, 175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    38 GLN H 5.44 
 &rst iat= 576, -1, r1= 6.03, r2= 6.53, r3= 6.53, r4= 7.03,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU HB3  38 GLN H 5.74 
 &rst iat=  541, 576, r1= 5.24, r2= 5.74,
 r3= 5.74, r4= 6.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN H  38 GLN HB2 3.04 
 &rst iat=  576, 580, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN H  38 GLN HG2 3.25 
 &rst iat=  576, 583, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HB3  38 GLN H 3.09 
 &rst iat=  560, 576, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU HA  38 GLN H 4.83 
 &rst iat=  538, 576, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET HA  38 GLN H 3.89 
 &rst iat=  521, 576, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HE1 HE2    38 GLN H 5.24 
 &rst iat= -1, 576, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    38 GLN H 3.81 
 &rst iat= -1, 576, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 572, 563,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 GLN H  41 LYS H 5.07 
 &rst iat=  576, 633, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN H  39 TYR H 3.36 
 &rst iat=  576, 593, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HB3  38 GLN HE21 3.98 
 &rst iat=  581, 588, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HB2  38 GLN HE21 3.99 
 &rst iat=  580, 588, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HG2  38 GLN HE21 3.42 
 &rst iat=  583, 588, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HA  38 GLN HE21 4.49 
 &rst iat=  578, 588, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HE1 HE2    38 GLN HE21 4.09 
 &rst iat= -1, 588, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU HA  39 TYR H 3.69 
 &rst iat=  538, 593, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  3 HID 3HB 2HB    3 HID H 3.57 
 &rst iat= 25, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 30, 29,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR H  39 TYR HB2 3.78 
 &rst iat=  593, 597, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HB3  39 TYR H 5.36 
 &rst iat=  560, 593, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HG3  39 TYR H 5.72 
 &rst iat=  584, 593, r1= 5.22, r2= 5.72,
 r3= 5.72, r4= 6.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HG2  39 TYR H 4.35 
 &rst iat=  583, 593, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HB2  39 TYR H 3.47 
 &rst iat=  580, 593, r1= 2.97, r2= 3.47,
 r3= 3.47, r4= 3.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HB3  39 TYR H 4.05 
 &rst iat=  581, 593, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU HB2  39 TYR H 5.86 
 &rst iat=  540, 593, r1= 5.36, r2= 5.86,
 r3= 5.86, r4= 6.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU HB3  39 TYR H 5.56 
 &rst iat=  541, 593, r1= 5.06, r2= 5.56,
 r3= 5.56, r4= 6.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    39 TYR H 4.01 
 &rst iat= -1, 593, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 174, 173, 175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    39 TYR H 4.01 
 &rst iat= -1, 593, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 170, 169, 171,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    68 LEU H 4.41 
 &rst iat= 1099, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD1 1HD1 2HD1    40 LEU H 4.16 
 &rst iat= 614, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD2 1HD2 2HD2    40 LEU H 4.16 
 &rst iat= 614, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU HB3  40 LEU H 5.37 
 &rst iat=  541, 614, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU H  40 LEU HG 4.39 
 &rst iat=  614, 621, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE HG12  68 LEU H 4.86 
 &rst iat=  1090, 1099, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HB2  40 LEU H 4.10 
 &rst iat=  597, 614, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HB3  40 LEU H 4.10 
 &rst iat=  598, 614, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HA  40 LEU H 4.02 
 &rst iat=  557, 614, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU H  41 LYS HA 5.21 
 &rst iat=  614, 635, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    68 LEU H 5.43 
 &rst iat= 1099, -1, r1= 5.59, r2= 6.09, r3= 6.09, r4= 6.59,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HD1 HD2    68 LEU H 5.85 
 &rst iat= 1099, -1, r1= 6.07, r2= 6.57, r3= 6.57, r4= 7.07,
 igr1= 0,  igr2= 1175, 1184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 GLN H  40 LEU H 4.59 
 &rst iat=  576, 614, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU H  42 GLN H 4.30 
 &rst iat=  614, 655, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU H  41 LYS H 3.17 
 &rst iat=  614, 633, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR H  40 LEU H 3.34 
 &rst iat=  593, 614, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    68 LEU H 3.95 
 &rst iat= 1099, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1108, 1110, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    40 LEU H 4.42 
 &rst iat= 614, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    68 LEU H 5.14 
 &rst iat= -1, 1099, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    68 LEU H 4.92 
 &rst iat= -1, 1099, r1= 5.41, r2= 5.91, r3= 5.91, r4= 6.41,
 igr1= 1095, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    68 LEU H 3.73 
 &rst iat= -1, 1099, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU H  68 LEU HG 3.27 
 &rst iat=  1099, 1106, r1= 2.77, r2= 3.27,
 r3= 3.27, r4= 3.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE HB  68 LEU H 3.64 
 &rst iat=  1084, 1099, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL HA  68 LEU H 3.89 
 &rst iat=  1044, 1099, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HA  68 LEU H 4.75 
 &rst iat=  1025, 1099, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  41 LYS HD2 5.64 
 &rst iat=  633, 643, r1= 5.14, r2= 5.64,
 r3= 5.64, r4= 6.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  41 LYS HG3 3.76 
 &rst iat=  633, 641, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  41 LYS HD3 5.64 
 &rst iat=  633, 644, r1= 5.14, r2= 5.64,
 r3= 5.64, r4= 6.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  41 LYS HB2 3.65 
 &rst iat=  633, 637, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  41 LYS HB3 3.65 
 &rst iat=  633, 638, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 GLN 2HB 3HB    6 GLN H 4.17 
 &rst iat= 69, -1, r1= 4.18, r2= 4.68, r3= 4.68, r4= 5.18,
 igr1= 0,  igr2= 73, 74,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HB 2HB    41 LYS H 5.05 
 &rst iat= 633, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 0,  igr2= 660, 659,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HE 3HE    41 LYS H 5.05 
 &rst iat= 633, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 0,  igr2= 646, 647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 GLN HA  41 LYS H 3.66 
 &rst iat=  578, 633, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HE1 HE2    41 LYS H 4.42 
 &rst iat= 633, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    41 LYS H 5.02 
 &rst iat= -1, 633, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 572, 563,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR H  41 LYS H 4.20 
 &rst iat=  593, 633, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  72 TYR HH 4.52 
 &rst iat=  633, 1180, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  72 TYR HH 6.21 
 &rst iat=  655, 1180, r1= 5.71, r2= 6.21,
 r3= 6.21, r4= 6.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR H  42 GLN H 5.57 
 &rst iat=  593, 655, r1= 5.07, r2= 5.57,
 r3= 5.57, r4= 6.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  42 GLN H 3.21 
 &rst iat=  633, 655, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  43 ILE H 3.04 
 &rst iat=  655, 672, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  42 GLN HE21 4.07 
 &rst iat=  655, 667, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HA  42 GLN H 4.16 
 &rst iat=  595, 655, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU HA  42 GLN H 4.54 
 &rst iat=  616, 655, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  43 ILE HA 5.29 
 &rst iat=  655, 674, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HA  42 GLN H 4.90 
 &rst iat=  578, 655, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  42 GLN HG3 3.44 
 &rst iat=  655, 663, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  42 GLN HG2 3.44 
 &rst iat=  655, 662, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  43 ILE HB 5.00 
 &rst iat=  655, 676, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN 3HB 2HB    42 GLN H 3.02 
 &rst iat= 655, -1, r1= 2.89, r2= 3.39, r3= 3.39, r4= 3.89,
 igr1= 0,  igr2= 660, 659,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN H  43 ILE HG13 4.25 
 &rst iat=  655, 683, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS HB3  42 GLN H 3.90 
 &rst iat=  638, 655, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS HB2  42 GLN H 3.90 
 &rst iat=  637, 655, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    42 GLN H 5.10 
 &rst iat= 655, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN H  43 ILE HG12 5.81 
 &rst iat=  655, 682, r1= 5.31, r2= 5.81,
 r3= 5.81, r4= 6.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    42 GLN HE21 5.27 
 &rst iat= 667, -1, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE HG12  42 GLN HE21 4.27 
 &rst iat=  217, 667, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    42 GLN HE21 6.26 
 &rst iat= -1, 667, r1= 7.02, r2= 7.52, r3= 7.52, r4= 8.02,
 igr1= 174, 173, 175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    42 GLN HE21 5.48 
 &rst iat= -1, 667, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 220, 221, 222,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE HG13  42 GLN HE21 4.99 
 &rst iat=  218, 667, r1= 4.49, r2= 4.99,
 r3= 4.99, r4= 5.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU HB3  42 GLN HE21 5.12 
 &rst iat=  165, 667, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN HE21  43 ILE HG13 5.41 
 &rst iat=  667, 683, r1= 4.91, r2= 5.41,
 r3= 5.41, r4= 5.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HA  42 GLN HE21 3.85 
 &rst iat=  595, 667, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN HA  42 GLN HE21 4.93 
 &rst iat=  657, 667, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 PRO HA  42 GLN HE21 4.90 
 &rst iat=  203, 667, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN H  42 GLN HE22 5.49 
 &rst iat=  655, 668, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN HA  42 GLN HE22 6.05 
 &rst iat=  657, 668, r1= 5.55, r2= 6.05,
 r3= 6.05, r4= 6.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HA  42 GLN HE22 3.94 
 &rst iat=  595, 668, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE HA  42 GLN HE22 5.13 
 &rst iat=  209, 668, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN 3HB 2HB    42 GLN HE22 3.73 
 &rst iat= -1, 668, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 660, 659,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU HB3  42 GLN HE22 4.42 
 &rst iat=  165, 668, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    42 GLN HE22 5.97 
 &rst iat= -1, 668, r1= 6.67, r2= 7.17, r3= 7.17, r4= 7.67,
 igr1= 220, 221, 222,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    42 GLN HE22 5.41 
 &rst iat= -1, 668, r1= 6.00, r2= 6.50, r3= 6.50, r4= 7.00,
 igr1= 170, 169, 171,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE HG12  42 GLN HE22 5.97 
 &rst iat=  217, 668, r1= 5.47, r2= 5.97,
 r3= 5.97, r4= 6.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    42 GLN HE22 6.14 
 &rst iat= 668, -1, r1= 6.87, r2= 7.37, r3= 7.37, r4= 7.87,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    42 GLN HE22 6.50 
 &rst iat= -1, 668, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE H  43 ILE HG12 3.70 
 &rst iat=  672, 682, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    43 ILE H 3.56 
 &rst iat= 672, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE HG12  43 ILE H 4.09 
 &rst iat=  217, 672, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    43 ILE H 5.00 
 &rst iat= -1, 672, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE H  43 ILE HG13 3.36 
 &rst iat=  672, 683, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN 3HB 2HB    43 ILE H 3.65 
 &rst iat= -1, 672, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 660, 659,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE H  43 ILE HB 3.30 
 &rst iat=  672, 676, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU HA  43 ILE H 4.14 
 &rst iat=  616, 672, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN HA  43 ILE H 3.52 
 &rst iat=  657, 672, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS H  43 ILE H 4.30 
 &rst iat=  633, 672, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU H  47 LEU H 4.66 
 &rst iat=  691, 731, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HE2 HE1    44 GLU H 5.95 
 &rst iat= 691, -1, r1= 6.18, r2= 6.68, r3= 6.68, r4= 7.18,
 igr1= 0,  igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU H  45 PRO HD2 4.94 
 &rst iat=  691, 707, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE HA  44 GLU H 2.78 
 &rst iat=  674, 691, r1= 2.28, r2= 2.78,
 r3= 2.78, r4= 3.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU 3HG 2HG    44 GLU H 3.03 
 &rst iat= 691, -1, r1= 2.90, r2= 3.40, r3= 3.40, r4= 3.90,
 igr1= 0,  igr2= 699, 698,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU H  44 GLU HB3 3.07 
 &rst iat=  691, 696, r1= 2.57, r2= 3.07,
 r3= 3.07, r4= 3.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU H  47 LEU HG 4.37 
 &rst iat=  691, 738, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU H  47 LEU HB3 5.53 
 &rst iat=  691, 736, r1= 5.03, r2= 5.53,
 r3= 5.53, r4= 6.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    44 GLU H 4.45 
 &rst iat= -1, 691, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    44 GLU H 3.24 
 &rst iat= -1, 691, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE HG12  44 GLU H 4.84 
 &rst iat=  682, 691, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    46 SER H 5.61 
 &rst iat= -1, 720, r1= 6.24, r2= 6.74, r3= 6.74, r4= 7.24,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO HB2  46 SER H 4.55 
 &rst iat=  713, 720, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 PRO HG2  46 SER H 3.80 
 &rst iat=  710, 720, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 PRO HB3  46 SER H 4.55 
 &rst iat=  714, 720, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER H  47 LEU HB2 4.84 
 &rst iat=  720, 735, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU HB3  46 SER H 4.40 
 &rst iat=  696, 720, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU HB2  46 SER H 3.66 
 &rst iat=  695, 720, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU 3HG 2HG    46 SER H 3.29 
 &rst iat= -1, 720, r1= 3.19, r2= 3.69, r3= 3.69, r4= 4.19,
 igr1= 699, 698,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 SER H  48 TYR HB2 5.26 
 &rst iat=  720, 754, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 PRO HA  46 SER H 3.57 
 &rst iat=  716, 720, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER 3HB 2HB    46 SER H 2.92 
 &rst iat= 720, -1, r1= 2.78, r2= 3.28, r3= 3.28, r4= 3.78,
 igr1= 0,  igr2= 725, 724,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO HD2  46 SER H 3.18 
 &rst iat=  707, 720, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER H  47 LEU HA 5.37 
 &rst iat=  720, 733, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU HA  46 SER H 4.33 
 &rst iat=  693, 720, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HD1 HD2    46 SER H 4.81 
 &rst iat= 720, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 SER H  47 LEU H 3.06 
 &rst iat=  720, 731, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU H  46 SER H 5.30 
 &rst iat=  691, 720, r1= 4.80, r2= 5.30,
 r3= 5.30, r4= 5.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    47 LEU H 4.80 
 &rst iat= 731, -1, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    48 TYR H 4.96 
 &rst iat= 750, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU 3HD1 1HD1 2HD1    47 LEU H 4.05 
 &rst iat= 731, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 742, 740, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU 3HD2 1HD2 2HD2    47 LEU H 4.05 
 &rst iat= 731, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 746, 744, 745,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU H  47 LEU HB3 3.68 
 &rst iat=  731, 736, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU H  47 LEU HG 3.18 
 &rst iat=  731, 738, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU H  47 LEU HB2 3.10 
 &rst iat=  731, 735, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU HB2  47 LEU H 4.47 
 &rst iat=  695, 731, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO 2HG 3HG    48 TYR H 4.94 
 &rst iat= 750, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 775, 776,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU 3HG 2HG    47 LEU H 3.69 
 &rst iat= -1, 731, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 699, 698,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO HA  48 TYR H 3.53 
 &rst iat=  716, 750, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HD1 HD2    48 TYR H 3.22 
 &rst iat= 750, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    48 TYR H 4.79 
 &rst iat= 750, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR H  49 PRO HD2 3.31 
 &rst iat=  750, 772, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR H  49 PRO HD3 3.36 
 &rst iat=  750, 773, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR H  48 TYR HB3 3.68 
 &rst iat=  750, 755, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR H  48 TYR HB2 3.45 
 &rst iat=  750, 754, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    50 LYS H 5.02 
 &rst iat= 785, -1, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS H  51 LEU HB2 5.19 
 &rst iat=  785, 811, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS 2HD 3HD    50 LYS H 4.64 
 &rst iat= 785, -1, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 0,  igr2= 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HB 3HB    50 LYS H 2.68 
 &rst iat= 785, -1, r1= 2.51, r2= 3.01, r3= 3.01, r4= 3.51,
 igr1= 0,  igr2= 789, 790,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 PRO 2HG 3HG    50 LYS H 3.67 
 &rst iat= -1, 785, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 775, 776,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 PRO HB3  50 LYS H 4.33 
 &rst iat=  779, 785, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HB2  50 LYS H 5.20 
 &rst iat=  754, 785, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS 2HE 3HE    50 LYS H 5.74 
 &rst iat= 785, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 0,  igr2= 798, 799,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 PRO HD3  50 LYS H 4.07 
 &rst iat=  773, 785, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HB3  50 LYS H 5.27 
 &rst iat=  755, 785, r1= 4.77, r2= 5.27,
 r3= 5.27, r4= 5.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO HD2  50 LYS H 3.52 
 &rst iat=  772, 785, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU HA  50 LYS H 3.69 
 &rst iat=  733, 785, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS H  51 LEU H 2.83 
 &rst iat=  785, 807, r1= 2.33, r2= 2.83,
 r3= 2.83, r4= 3.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS H  52 PHE H 4.16 
 &rst iat=  785, 826, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR H  50 LYS H 4.16 
 &rst iat=  750, 785, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    51 LEU H 3.59 
 &rst iat= 807, -1, r1= 3.81, r2= 4.31, r3= 4.31, r4= 4.81,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    51 LEU H 3.67 
 &rst iat= 807, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU H  51 LEU HB3 3.70 
 &rst iat=  807, 812, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU H  51 LEU HB2 3.32 
 &rst iat=  807, 811, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU H  51 LEU HG 3.23 
 &rst iat=  807, 814, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS HG2  51 LEU H 4.84 
 &rst iat=  792, 807, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS HG3  51 LEU H 4.84 
 &rst iat=  793, 807, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU HB3  51 LEU H 4.77 
 &rst iat=  736, 807, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS 2HB 3HB    51 LEU H 3.13 
 &rst iat= -1, 807, r1= 3.01, r2= 3.51, r3= 3.51, r4= 4.01,
 igr1= 789, 790,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU HA  51 LEU H 3.83 
 &rst iat=  733, 807, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU H  52 PHE H 3.35 
 &rst iat=  807, 826, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE H  53 GLN H 3.71 
 &rst iat=  826, 846, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    52 PHE H 3.45 
 &rst iat= 826, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HA  52 PHE H 4.55 
 &rst iat=  752, 826, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO HA  52 PHE H 4.20 
 &rst iat=  781, 826, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS HA  52 PHE H 5.28 
 &rst iat=  787, 826, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE H  53 GLN HA 5.69 
 &rst iat=  826, 848, r1= 5.19, r2= 5.69,
 r3= 5.69, r4= 6.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE H  52 PHE HB3 3.89 
 &rst iat=  826, 831, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE H  52 PHE HB2 3.51 
 &rst iat=  826, 830, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HG 2HG    52 PHE H 4.96 
 &rst iat= 826, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 854, 853,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    52 PHE H 4.68 
 &rst iat= 826, -1, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 0,  igr2= 851, 850,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HB 3HB    52 PHE H 4.77 
 &rst iat= -1, 826, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 789, 790,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU HG  52 PHE H 4.23 
 &rst iat=  814, 826, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU HB2  52 PHE H 3.58 
 &rst iat=  811, 826, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    52 PHE H 4.02 
 &rst iat= 826, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    52 PHE H 5.08 
 &rst iat= 826, -1, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU HB3  52 PHE H 3.93 
 &rst iat=  812, 826, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    52 PHE H 4.24 
 &rst iat= -1, 826, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 816, 818, 817,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    52 PHE H 4.90 
 &rst iat= -1, 826, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 820, 822, 821,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN H 3.16 
 &rst iat= 846, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 851, 850,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HG 2HG    53 GLN H 3.45 
 &rst iat= 846, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 0,  igr2= 854, 853,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER 3HB 2HB    53 GLN H 5.30 
 &rst iat= -1, 846, r1= 5.45, r2= 5.95, r3= 5.95, r4= 6.45,
 igr1= 269, 268,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU HA  53 GLN H 5.46 
 &rst iat=  809, 846, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS 2HD 3HD    53 GLN HE21 4.58 
 &rst iat= -1, 858, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 795, 796,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HB 3HB    53 GLN HE21 4.56 
 &rst iat= -1, 858, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 789, 790,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HG 2HG    53 GLN HE21 3.46 
 &rst iat= -1, 858, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 854, 853,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS HA  53 GLN HE22 3.73 
 &rst iat=  787, 859, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HG 2HG    53 GLN HE22 3.49 
 &rst iat= -1, 859, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 854, 853,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HE22 4.14 
 &rst iat= -1, 859, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 851, 850,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HB 3HB    53 GLN HE22 4.70 
 &rst iat= -1, 859, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 789, 790,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HD 3HD    53 GLN HE22 4.45 
 &rst iat= -1, 859, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 795, 796,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS H  54 LYS HG3 3.99 
 &rst iat=  863, 871, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS 2HD 3HD    54 LYS H 4.36 
 &rst iat= 863, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 873, 874,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS H  54 LYS HB3 3.77 
 &rst iat=  863, 868, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS H  54 LYS HB2 3.71 
 &rst iat=  863, 867, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    54 LYS H 3.68 
 &rst iat= -1, 863, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 851, 850,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HG 2HG    54 LYS H 4.00 
 &rst iat= -1, 863, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 854, 853,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER 3HB 2HB    54 LYS H 5.50 
 &rst iat= -1, 863, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 269, 268,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU HA  54 LYS H 6.21 
 &rst iat=  809, 863, r1= 5.71, r2= 6.21,
 r3= 6.21, r4= 6.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN H  54 LYS H 3.66 
 &rst iat=  846, 863, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE H  54 LYS H 5.31 
 &rst iat=  826, 863, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HA  54 LYS H 4.89 
 &rst iat=  828, 863, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS HB3  55 ASN H 3.99 
 &rst iat=  868, 885, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS HB2  55 ASN H 3.18 
 &rst iat=  867, 885, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    55 ASN H 5.21 
 &rst iat= -1, 885, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 851, 850,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HG 2HG    55 ASN H 4.97 
 &rst iat= -1, 885, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 854, 853,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN H  55 ASN HB2 4.15 
 &rst iat=  885, 889, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ASN H  55 ASN HB3 4.15 
 &rst iat=  885, 890, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS 2HE 3HE    55 ASN H 5.32 
 &rst iat= -1, 885, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 876, 877,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN H  55 ASN HD22 5.50 
 &rst iat=  885, 895, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    55 ASN H 4.97 
 &rst iat= -1, 885, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN H  55 ASN H 4.63 
 &rst iat=  846, 885, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ASN H  55 ASN HD21 4.96 
 &rst iat=  885, 894, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ASN H  56 LEU H 4.36 
 &rst iat=  885, 899, r1= 3.86, r2= 4.36,
 r3= 4.36, r4= 4.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS H  55 ASN H 3.33 
 &rst iat=  863, 885, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ARG 3HB 2HB    55 ASN HD22 6.24 
 &rst iat= 895, -1, r1= 6.50, r2= 7.00, r3= 7.00, r4= 7.50,
 igr1= 0,  igr2= 1557, 1556,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN HA  55 ASN HD22 5.32 
 &rst iat=  887, 895, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ASN HB2  55 ASN HD21 3.52 
 &rst iat=  889, 894, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ASN HB3  55 ASN HD21 3.52 
 &rst iat=  890, 894, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ARG 3HD 2HD    55 ASN HD21 4.39 
 &rst iat= 894, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 0,  igr2= 1563, 1562,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN HA  55 ASN HD21 4.55 
 &rst iat=  887, 894, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    56 LEU H 4.73 
 &rst iat= 899, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 914, 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU H  56 LEU HB2 4.08 
 &rst iat=  899, 903, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU H  56 LEU HB3 4.08 
 &rst iat=  899, 904, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LYS 3HB 2HB    56 LEU H 5.70 
 &rst iat= 899, -1, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 0,  igr2= 1535, 1534,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN HB2  56 LEU H 4.41 
 &rst iat=  889, 899, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ASN HB3  56 LEU H 4.41 
 &rst iat=  890, 899, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU H  93 ARG H 5.23 
 &rst iat=  899, 1552, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    57 ASP H 4.76 
 &rst iat= -1, 918, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 910, 909, 908,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    57 ASP H 4.54 
 &rst iat= 918, -1, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    57 ASP H 4.76 
 &rst iat= -1, 918, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 914, 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    57 ASP H 6.14 
 &rst iat= 918, -1, r1= 6.87, r2= 7.37, r3= 7.37, r4= 7.87,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    57 ASP H 6.50 
 &rst iat= 918, -1, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    57 ASP H 4.11 
 &rst iat= 918, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU HB2  57 ASP H 4.95 
 &rst iat=  903, 918, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HG  57 ASP H 5.19 
 &rst iat=  906, 918, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HB3  57 ASP H 4.95 
 &rst iat=  904, 918, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP H  60 VAL HB 4.23 
 &rst iat=  918, 960, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP H  57 ASP HB2 3.60 
 &rst iat=  918, 922, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP H  57 ASP HB3 3.48 
 &rst iat=  918, 923, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP H  58 PRO HD2 5.03 
 &rst iat=  918, 931, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP H  58 PRO HD3 5.03 
 &rst iat=  918, 932, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HA  57 ASP H 3.29 
 &rst iat=  901, 918, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HE2 HE1    57 ASP H 5.09 
 &rst iat= -1, 918, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 840, 836,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    57 ASP H 4.88 
 &rst iat= -1, 918, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU H  57 ASP H 4.78 
 &rst iat=  899, 918, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP H  61 PHE H 5.11 
 &rst iat=  918, 972, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    59 ASP H 4.08 
 &rst iat= 944, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO HG3  59 ASP H 4.16 
 &rst iat=  935, 944, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB2  59 ASP H 3.58 
 &rst iat=  937, 944, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HG2  59 ASP H 3.51 
 &rst iat=  934, 944, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HB3  59 ASP H 3.36 
 &rst iat=  923, 944, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HD2  59 ASP H 3.92 
 &rst iat=  931, 944, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HD3  59 ASP H 3.92 
 &rst iat=  932, 944, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 ASP H  60 VAL H 2.95 
 &rst iat=  944, 956, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE H  82 PHE H 3.42 
 &rst iat=  1333, 1352, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    82 PHE H 4.18 
 &rst iat= 1352, -1, r1= 4.19, r2= 4.69, r3= 4.69, r4= 5.19,
 igr1= 0,  igr2= 1368, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU HA  82 PHE H 4.26 
 &rst iat=  1297, 1352, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE H  82 PHE HB3 3.37 
 &rst iat=  1352, 1357, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE H  82 PHE HB2 3.34 
 &rst iat=  1352, 1356, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB3  59 ASP H 4.24 
 &rst iat=  938, 944, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE HB  82 PHE H 3.42 
 &rst iat=  1337, 1352, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    82 PHE H 3.87 
 &rst iat= 1352, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    82 PHE H 3.52 
 &rst iat= -1, 1352, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    82 PHE H 3.52 
 &rst iat= 1352, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    60 VAL H 5.44 
 &rst iat= -1, 956, r1= 6.03, r2= 6.53, r3= 6.53, r4= 7.03,
 igr1= 910, 909, 908,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    60 VAL H 3.90 
 &rst iat= 956, -1, r1= 4.18, r2= 4.68, r3= 4.68, r4= 5.18,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    60 VAL H 2.96 
 &rst iat= 956, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL H  60 VAL HB 3.19 
 &rst iat=  956, 960, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HB2  60 VAL H 3.85 
 &rst iat=  922, 956, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HB3  60 VAL H 3.39 
 &rst iat=  923, 956, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL H  61 PHE HA 6.36 
 &rst iat=  956, 974, r1= 5.86, r2= 6.36,
 r3= 6.36, r4= 6.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HA  60 VAL H 4.54 
 &rst iat=  940, 956, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL H  61 PHE H 3.19 
 &rst iat=  956, 972, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    60 VAL H 5.18 
 &rst iat= -1, 956, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 ASP H  60 VAL H 4.82 
 &rst iat=  918, 956, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    61 PHE H 5.86 
 &rst iat= -1, 972, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO HA  61 PHE H 3.94 
 &rst iat=  940, 972, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE H  61 PHE HB3 3.49 
 &rst iat=  972, 977, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE H  61 PHE HB2 3.49 
 &rst iat=  972, 976, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HB3  61 PHE H 4.90 
 &rst iat=  923, 972, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HB2  61 PHE H 5.09 
 &rst iat=  922, 972, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL HB  61 PHE H 3.58 
 &rst iat=  960, 972, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HG2  61 PHE H 6.45 
 &rst iat=  934, 972, r1= 5.95, r2= 6.45,
 r3= 6.45, r4= 6.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE H  64 ILE HB 6.50 
 &rst iat=  972, 1027, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HG  61 PHE H 4.74 
 &rst iat=  906, 972, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    61 PHE H 3.93 
 &rst iat= -1, 972, r1= 4.22, r2= 4.72, r3= 4.72, r4= 5.22,
 igr1= 966, 967, 968,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    61 PHE H 4.16 
 &rst iat= 972, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    61 PHE H 4.48 
 &rst iat= 972, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    61 PHE H 4.21 
 &rst iat= -1, 972, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 914, 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    61 PHE H 3.62 
 &rst iat= -1, 972, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 963, 962, 964,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    61 PHE H 4.21 
 &rst iat= -1, 972, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 910, 909, 908,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    62 ASN H 5.95 
 &rst iat= -1, 992, r1= 6.65, r2= 7.15, r3= 7.15, r4= 7.65,
 igr1= 910, 909, 908,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    62 ASN H 5.95 
 &rst iat= -1, 992, r1= 6.65, r2= 7.15, r3= 7.15, r4= 7.65,
 igr1= 914, 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    62 ASN H 4.43 
 &rst iat= 992, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    62 ASN H 5.91 
 &rst iat= -1, 992, r1= 6.60, r2= 7.10, r3= 7.10, r4= 7.60,
 igr1= 966, 967, 968,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO HB2  62 ASN H 6.04 
 &rst iat=  937, 992, r1= 5.54, r2= 6.04,
 r3= 6.04, r4= 6.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN H  63 GLN HB3 6.50 
 &rst iat=  992, 1011, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN H  64 ILE HG13 6.50 
 &rst iat=  992, 1034, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    62 ASN H 6.50 
 &rst iat= 992, -1, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 0,  igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    62 ASN H 5.01 
 &rst iat= 992, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 ASN H  63 GLN HB2 4.67 
 &rst iat=  992, 1010, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN H  62 ASN HB2 3.62 
 &rst iat=  992, 996, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HB2  62 ASN H 3.94 
 &rst iat=  976, 992, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN H  62 ASN HB3 3.62 
 &rst iat=  992, 997, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HB3  62 ASN H 3.94 
 &rst iat=  977, 992, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL HA  62 ASN H 4.93 
 &rst iat=  958, 992, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 ASP HA  62 ASN H 4.20 
 &rst iat=  946, 992, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN H  62 ASN HD22 4.16 
 &rst iat=  992, 1002, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HD2 HD1    62 ASN H 3.65 
 &rst iat= -1, 992, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 ASN H  62 ASN HD21 3.91 
 &rst iat=  992, 1001, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL H  62 ASN H 4.69 
 &rst iat=  956, 992, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE H  62 ASN H 3.39 
 &rst iat=  972, 992, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 ASP HA  62 ASN HD21 4.43 
 &rst iat=  946, 1001, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HA  62 ASN HD21 5.78 
 &rst iat=  940, 1001, r1= 5.28, r2= 5.78,
 r3= 5.78, r4= 6.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN H  63 GLN H 3.25 
 &rst iat=  992, 1006, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  65 VAL H 4.60 
 &rst iat=  1006, 1042, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    63 GLN H 4.55 
 &rst iat= -1, 1006, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 ASN HD22  63 GLN H 4.71 
 &rst iat=  1002, 1006, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  63 GLN HE21 5.21 
 &rst iat=  1006, 1018, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 ASP HA  63 GLN H 4.62 
 &rst iat=  946, 1006, r1= 4.12, r2= 4.62,
 r3= 4.62, r4= 5.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN HA  63 GLN H 3.54 
 &rst iat=  994, 1006, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL HA  63 GLN H 3.75 
 &rst iat=  958, 1006, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  63 GLN HB2 3.26 
 &rst iat=  1006, 1010, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN 2HG 3HG    63 GLN H 3.16 
 &rst iat= 1006, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN H  63 GLN HB3 3.50 
 &rst iat=  1006, 1011, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    63 GLN H 5.19 
 &rst iat= -1, 1006, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 966, 967, 968,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    63 GLN H 5.22 
 &rst iat= 1006, -1, r1= 5.77, r2= 6.27, r3= 6.27, r4= 6.77,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    63 GLN H 4.54 
 &rst iat= -1, 1006, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 963, 962, 964,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    63 GLN HE21 3.91 
 &rst iat= -1, 1018, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 547, 546, 545,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    63 GLN HE21 4.15 
 &rst iat= -1, 1018, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 550, 549, 551,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    63 GLN HE21 4.06 
 &rst iat= 1018, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HE21  67 ILE HG13 4.19 
 &rst iat=  1018, 1091, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS 3HG 2HG    63 GLN HE21 4.69 
 &rst iat= 1018, -1, r1= 4.76, r2= 5.26, r3= 5.26, r4= 5.76,
 igr1= 0,  igr2= 1066, 1065,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HD 2HD    63 GLN HE21 5.21 
 &rst iat= 1018, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 1069, 1068,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HE21  67 ILE HG12 4.13 
 &rst iat=  1018, 1090, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HB3  63 GLN HE21 4.58 
 &rst iat=  1011, 1018, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN 2HG 3HG    63 GLN HE21 3.41 
 &rst iat= -1, 1018, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 1013, 1014,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HB3  63 GLN HE21 5.21 
 &rst iat=  374, 1018, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HA  63 GLN HE21 4.42 
 &rst iat=  451, 1018, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  63 GLN HE21 3.96 
 &rst iat=  1008, 1018, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HE22  67 ILE H 5.06 
 &rst iat=  1019, 1080, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  63 GLN HE22 3.65 
 &rst iat=  1008, 1019, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HA  63 GLN HE22 4.39 
 &rst iat=  451, 1019, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HD3  63 GLN HE22 5.56 
 &rst iat=  495, 1019, r1= 5.06, r2= 5.56,
 r3= 5.56, r4= 6.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HB2  63 GLN HE22 4.88 
 &rst iat=  1010, 1019, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN 2HG 3HG    63 GLN HE22 3.44 
 &rst iat= -1, 1019, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 1013, 1014,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HB3  63 GLN HE22 4.10 
 &rst iat=  1011, 1019, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HE22  67 ILE HG12 3.76 
 &rst iat=  1019, 1090, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU HB3  63 GLN HE22 5.30 
 &rst iat=  541, 1019, r1= 4.80, r2= 5.30,
 r3= 5.30, r4= 5.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HE22  67 ILE HG13 5.50 
 &rst iat=  1019, 1091, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    63 GLN HE22 3.75 
 &rst iat= -1, 1019, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 547, 546, 545,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    63 GLN HE22 4.73 
 &rst iat= -1, 1019, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 550, 549, 551,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    64 ILE H 3.64 
 &rst iat= -1, 1023, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 963, 962, 964,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    64 ILE H 3.43 
 &rst iat= 1023, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    64 ILE H 3.89 
 &rst iat= 1023, -1, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 0,  igr2= 1031, 1030, 1029,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE H  64 ILE HG12 3.79 
 &rst iat=  1023, 1033, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE H  65 VAL HB 5.72 
 &rst iat=  1023, 1046, r1= 5.22, r2= 5.72,
 r3= 5.72, r4= 6.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE H  67 ILE HG12 6.13 
 &rst iat=  1023, 1090, r1= 5.63, r2= 6.13,
 r3= 6.13, r4= 6.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE H  64 ILE HB 3.31 
 &rst iat=  1023, 1027, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE H  64 ILE HG13 3.33 
 &rst iat=  1023, 1034, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN 2HG 3HG    64 ILE H 4.54 
 &rst iat= -1, 1023, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 1013, 1014,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HB2  64 ILE H 3.88 
 &rst iat=  1010, 1023, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE H  65 VAL HA 5.51 
 &rst iat=  1023, 1044, r1= 5.01, r2= 5.51,
 r3= 5.51, r4= 6.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HA  64 ILE H 4.11 
 &rst iat=  974, 1023, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN HA  64 ILE H 4.71 
 &rst iat=  994, 1023, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE H  66 LYS H 4.48 
 &rst iat=  1023, 1058, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE H  65 VAL H 3.46 
 &rst iat=  1023, 1042, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  64 ILE H 3.29 
 &rst iat=  1006, 1023, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN H  64 ILE H 4.66 
 &rst iat=  992, 1023, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL H  68 LEU H 5.29 
 &rst iat=  1042, 1099, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL H  67 ILE H 4.74 
 &rst iat=  1042, 1080, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  65 VAL H 4.94 
 &rst iat=  1008, 1042, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN HA  65 VAL H 3.97 
 &rst iat=  994, 1042, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HA  65 VAL H 4.97 
 &rst iat=  974, 1042, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HG13  65 VAL H 4.32 
 &rst iat=  1034, 1042, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HB  65 VAL H 3.67 
 &rst iat=  1027, 1042, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL H  65 VAL HB 3.28 
 &rst iat=  1042, 1046, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HG12  65 VAL H 5.37 
 &rst iat=  1033, 1042, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    65 VAL H 3.63 
 &rst iat= -1, 1042, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    65 VAL H 4.37 
 &rst iat= -1, 1042, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 1038, 1037, 1036,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    65 VAL H 3.87 
 &rst iat= 1042, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 1048, 1049, 1050,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    65 VAL H 2.91 
 &rst iat= 1042, -1, r1= 2.99, r2= 3.49, r3= 3.49, r4= 3.99,
 igr1= 0,  igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    66 LYS H 4.02 
 &rst iat= 1058, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL HB  66 LYS H 3.32 
 &rst iat=  1046, 1058, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS H  66 LYS HB2 3.15 
 &rst iat=  1058, 1062, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HA  66 LYS H 4.78 
 &rst iat=  1025, 1058, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN HA  66 LYS H 4.37 
 &rst iat=  994, 1058, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  66 LYS H 3.93 
 &rst iat=  1008, 1058, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS H  67 ILE H 3.35 
 &rst iat=  1058, 1080, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS H  68 LEU H 4.67 
 &rst iat=  1058, 1099, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    127 GLU H 3.48 
 &rst iat= -1, 2099, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 2089, 2091, 2090,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS H  66 LYS HB3 3.15 
 &rst iat=  1058, 1063, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU H  127 GLU HB3 3.65 
 &rst iat=  2099, 2104, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU 2HG 3HG    127 GLU H 2.87 
 &rst iat= 2099, -1, r1= 2.72, r2= 3.22, r3= 3.22, r4= 3.72,
 igr1= 0,  igr2= 2106, 2107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  125 SER 2HB 3HB    127 GLU H 5.40 
 &rst iat= -1, 2099, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 2076, 2077,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU H  128 GLU HA 5.86 
 &rst iat=  2099, 2116, r1= 5.36, r2= 5.86,
 r3= 5.86, r4= 6.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER HA  127 GLU H 4.59 
 &rst iat=  2074, 2099, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL H  66 LYS H 3.20 
 &rst iat=  1042, 1058, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU H  130 LYS H 4.94 
 &rst iat=  2099, 2148, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER H  127 GLU H 4.50 
 &rst iat=  2072, 2099, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    67 ILE H 3.37 
 &rst iat= 1080, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    67 ILE H 3.90 
 &rst iat= 1080, -1, r1= 4.18, r2= 4.68, r3= 4.68, r4= 5.18,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE H  67 ILE HG13 3.79 
 &rst iat=  1080, 1091, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE H  67 ILE HG12 3.19 
 &rst iat=  1080, 1090, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE H  67 ILE HB 3.29 
 &rst iat=  1080, 1084, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HA  67 ILE H 4.20 
 &rst iat=  1025, 1080, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE H  68 LEU H 3.46 
 &rst iat=  1080, 1099, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU H  114 ASN H 4.24 
 &rst iat=  1867, 1906, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG H  112 LEU H 4.43 
 &rst iat=  1833, 1867, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    112 LEU H 5.09 
 &rst iat= 1867, -1, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 0,  igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 ALA HA  112 LEU H 3.80 
 &rst iat=  1825, 1867, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HA  112 LEU H 4.78 
 &rst iat=  1806, 1867, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    112 LEU H 4.72 
 &rst iat= 1867, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 1911, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU H  112 LEU HB2 3.76 
 &rst iat=  1867, 1871, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    112 LEU H 3.01 
 &rst iat= -1, 1867, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 1861, 1862, 1863,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU H  112 LEU HG 3.13 
 &rst iat=  1867, 1874, r1= 2.63, r2= 3.13,
 r3= 3.13, r4= 3.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    112 LEU H 4.90 
 &rst iat= -1, 1867, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 1829, 1828, 1827,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU H  112 LEU HB3 3.61 
 &rst iat=  1867, 1872, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    112 LEU H 4.34 
 &rst iat= -1, 1867, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 1812, 1811, 1810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    69 HID H 5.18 
 &rst iat= -1, 1118, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 1108, 1110, 1109,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    69 HID H 5.18 
 &rst iat= -1, 1118, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 1112, 1114, 1113,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    69 HID H 3.59 
 &rst iat= 1118, -1, r1= 3.81, r2= 4.31, r3= 4.31, r4= 4.81,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    69 HID H 3.57 
 &rst iat= 1118, -1, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    69 HID H 3.77 
 &rst iat= 1118, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU HB3  69 HID H 4.45 
 &rst iat=  1104, 1118, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID H  69 HID HB2 3.50 
 &rst iat=  1118, 1122, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID H  69 HID HB3 3.50 
 &rst iat=  1118, 1123, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL HA  69 HID H 4.53 
 &rst iat=  1044, 1118, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU H  69 HID H 3.49 
 &rst iat=  1099, 1118, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    69 HID H 4.94 
 &rst iat= 1118, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID H  70 ASP H 3.43 
 &rst iat=  1118, 1135, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU H  70 ASP H 5.05 
 &rst iat=  1099, 1135, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  72 TYR H 4.49 
 &rst iat=  1135, 1167, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    70 ASP H 4.21 
 &rst iat= 1135, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP H  73 ILE H 5.34 
 &rst iat=  1135, 1188, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HA  70 ASP H 4.88 
 &rst iat=  1101, 1135, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID HB3  70 ASP H 3.91 
 &rst iat=  1123, 1135, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID HB2  70 ASP H 3.91 
 &rst iat=  1122, 1135, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  70 ASP HB3 4.03 
 &rst iat=  1135, 1140, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  71 PHE HB2 4.11 
 &rst iat=  1135, 1151, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  70 ASP HB2 4.03 
 &rst iat=  1135, 1139, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  71 PHE HB3 5.75 
 &rst iat=  1135, 1152, r1= 5.25, r2= 5.75,
 r3= 5.75, r4= 6.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  73 ILE HG13 6.27 
 &rst iat=  1135, 1199, r1= 5.77, r2= 6.27,
 r3= 6.27, r4= 6.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS 3HG 2HG    70 ASP H 5.37 
 &rst iat= -1, 1135, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 1066, 1065,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    70 ASP H 5.34 
 &rst iat= -1, 1135, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 1095, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    70 ASP H 4.86 
 &rst iat= 1135, -1, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    70 ASP H 4.94 
 &rst iat= 1135, -1, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    70 ASP H 4.87 
 &rst iat= 1135, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    71 PHE H 5.88 
 &rst iat= 1147, -1, r1= 6.56, r2= 7.06, r3= 7.06, r4= 7.56,
 igr1= 0,  igr2= 1194, 1195, 1196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    71 PHE H 4.61 
 &rst iat= -1, 1147, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE H  73 ILE HG13 4.66 
 &rst iat=  1147, 1199, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  71 PHE HB2 3.51 
 &rst iat=  1147, 1151, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  72 TYR HA 4.53 
 &rst iat=  1147, 1169, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    71 PHE H 4.12 
 &rst iat= 1147, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN H  19 SER H 4.44 
 &rst iat=  250, 264, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  72 TYR H 3.18 
 &rst iat=  1147, 1167, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID H  71 PHE H 4.95 
 &rst iat=  1118, 1147, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  71 PHE H 3.45 
 &rst iat=  1135, 1147, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HD1 HD2    72 TYR H 3.91 
 &rst iat= 1167, -1, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 0,  igr2= 1175, 1184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR H  72 TYR HB3 4.14 
 &rst iat=  1167, 1172, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB2  72 TYR H 4.15 
 &rst iat=  1151, 1167, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HB3  72 TYR H 4.11 
 &rst iat=  1152, 1167, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR H  73 ILE HG13 4.57 
 &rst iat=  1167, 1199, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR H  73 ILE HB 4.76 
 &rst iat=  1167, 1192, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    72 TYR H 4.30 
 &rst iat= -1, 1167, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    72 TYR H 4.25 
 &rst iat= 1167, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    72 TYR H 4.76 
 &rst iat= 1167, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE H  73 ILE HG12 3.92 
 &rst iat=  1188, 1198, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    73 ILE H 3.75 
 &rst iat= 1188, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    73 ILE H 4.66 
 &rst iat= 1188, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    73 ILE H 3.70 
 &rst iat= 1188, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE H  73 ILE HB 3.22 
 &rst iat=  1188, 1192, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE H  73 ILE HG13 3.40 
 &rst iat=  1188, 1199, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU 2HB 3HB    73 ILE H 4.81 
 &rst iat= 1188, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 1211, 1212,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HB2  73 ILE H 4.66 
 &rst iat=  1171, 1188, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HA  73 ILE H 4.08 
 &rst iat=  1101, 1188, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP HA  73 ILE H 4.82 
 &rst iat=  1137, 1188, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  73 ILE H 5.02 
 &rst iat=  1149, 1188, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE H  75 LYS H 4.66 
 &rst iat=  1188, 1222, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE H  74 GLU H 3.43 
 &rst iat=  1188, 1207, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR H  73 ILE H 3.51 
 &rst iat=  1167, 1188, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE H  73 ILE H 4.14 
 &rst iat=  1147, 1188, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE HG12  74 GLU H 5.38 
 &rst iat=  1198, 1207, r1= 4.88, r2= 5.38,
 r3= 5.38, r4= 5.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    74 GLU H 4.99 
 &rst iat= -1, 1207, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    74 GLU H 6.40 
 &rst iat= 1207, -1, r1= 7.19, r2= 7.69, r3= 7.69, r4= 8.19,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    74 GLU H 4.78 
 &rst iat= 1207, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    74 GLU H 4.10 
 &rst iat= 1207, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE HB  74 GLU H 3.40 
 &rst iat=  1192, 1207, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE HG13  74 GLU H 4.65 
 &rst iat=  1199, 1207, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU 2HB 3HB    74 GLU H 2.78 
 &rst iat= 1207, -1, r1= 2.62, r2= 3.12, r3= 3.12, r4= 3.62,
 igr1= 0,  igr2= 1211, 1212,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU H  74 GLU HG2 3.87 
 &rst iat=  1207, 1214, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU H  74 GLU HG3 3.87 
 &rst iat=  1207, 1215, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HA  74 GLU H 4.45 
 &rst iat=  1149, 1207, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    75 LYS H 5.45 
 &rst iat= -1, 1222, r1= 6.05, r2= 6.55, r3= 6.55, r4= 7.05,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    75 LYS H 3.17 
 &rst iat= 1222, -1, r1= 3.06, r2= 3.56, r3= 3.56, r4= 4.06,
 igr1= 0,  igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS H  75 LYS HD2 4.35 
 &rst iat=  1222, 1232, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LYS H  75 LYS HD3 4.35 
 &rst iat=  1222, 1233, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU 2HB 3HB    75 LYS H 3.20 
 &rst iat= -1, 1222, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 1211, 1212,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE HA  75 LYS H 5.82 
 &rst iat=  1190, 1222, r1= 5.32, r2= 5.82,
 r3= 5.82, r4= 6.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HA  75 LYS H 4.00 
 &rst iat=  1169, 1222, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LYS H  76 GLU HA 5.28 
 &rst iat=  1222, 1246, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HE1 HE2    75 LYS H 5.07 
 &rst iat= -1, 1222, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU H  75 LYS H 3.23 
 &rst iat=  1207, 1222, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    76 GLU H 6.50 
 &rst iat= -1, 1244, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    76 GLU H 4.69 
 &rst iat= 1244, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    76 GLU H 3.96 
 &rst iat= -1, 1244, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 1230, 1229,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU H  76 GLU HB2 3.18 
 &rst iat=  1244, 1248, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU 2HB 3HB    76 GLU H 4.78 
 &rst iat= -1, 1244, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 1211, 1212,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU H  76 GLU HB3 3.82 
 &rst iat=  1244, 1249, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HB2  76 GLU H 5.12 
 &rst iat=  1171, 1244, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HA  76 GLU H 3.43 
 &rst iat=  1169, 1244, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HB3  76 GLU H 4.57 
 &rst iat=  1172, 1244, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HE1 HE2    76 GLU H 4.74 
 &rst iat= -1, 1244, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    76 GLU H 6.03 
 &rst iat= -1, 1244, r1= 6.27, r2= 6.77, r3= 6.77, r4= 7.27,
 igr1= 1177, 1182,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HD1 HD2    76 GLU H 4.81 
 &rst iat= -1, 1244, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 1175, 1184,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE H  76 GLU H 5.00 
 &rst iat=  1188, 1244, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LYS H  76 GLU H 2.98 
 &rst iat=  1222, 1244, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU H  76 GLU H 4.06 
 &rst iat=  1207, 1244, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 GLU H  77 LYS H 4.53 
 &rst iat=  1244, 1259, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HE1 HE2    77 LYS H 6.33 
 &rst iat= -1, 1259, r1= 6.61, r2= 7.11, r3= 7.11, r4= 7.61,
 igr1= 1177, 1182,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS H  81 ILE H 5.50 
 &rst iat=  1259, 1333, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HE1 HE2    77 LYS H 6.50 
 &rst iat= -1, 1259, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU HA  77 LYS H 3.09 
 &rst iat=  1246, 1259, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  78 PRO HD2 4.95 
 &rst iat=  1259, 1282, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS 3HE 2HE    77 LYS H 4.44 
 &rst iat= 1259, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1273, 1272,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU HB3  77 LYS H 3.46 
 &rst iat=  1249, 1259, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  77 LYS HB2 3.67 
 &rst iat=  1259, 1263, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  77 LYS HB3 3.36 
 &rst iat=  1259, 1264, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  77 LYS HG3 3.03 
 &rst iat=  1259, 1267, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  77 LYS HG2 3.33 
 &rst iat=  1259, 1266, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    77 LYS H 4.82 
 &rst iat= 1259, -1, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    79 LEU H 4.87 
 &rst iat= 1295, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 1HD1 2HD1 3HD1    79 LEU H 4.22 
 &rst iat= 1295, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 1304, 1305, 1306,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    79 LEU H 5.15 
 &rst iat= 1295, -1, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 3HB 2HB    79 LEU H 2.76 
 &rst iat= 1295, -1, r1= 2.60, r2= 3.10, r3= 3.10, r4= 3.60,
 igr1= 0,  igr2= 1300, 1299,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS HG3  79 LEU H 3.91 
 &rst iat=  1267, 1295, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU H  79 LEU HG 4.22 
 &rst iat=  1295, 1302, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HB3  79 LEU H 4.78 
 &rst iat=  1264, 1295, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HD3  79 LEU H 5.03 
 &rst iat=  1270, 1295, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 PRO HB2  79 LEU H 3.62 
 &rst iat=  1288, 1295, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HB2  79 LEU H 3.53 
 &rst iat=  1263, 1295, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 PRO HG2  79 LEU H 4.27 
 &rst iat=  1285, 1295, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 PRO HG3  79 LEU H 4.27 
 &rst iat=  1286, 1295, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU H  82 PHE HB2 6.37 
 &rst iat=  1295, 1356, r1= 5.87, r2= 6.37,
 r3= 6.37, r4= 6.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS 3HE 2HE    79 LEU H 5.06 
 &rst iat= -1, 1295, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 1273, 1272,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU H  82 PHE HB3 5.99 
 &rst iat=  1295, 1357, r1= 5.49, r2= 5.99,
 r3= 5.99, r4= 6.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER 2HB 3HB    79 LEU H 5.51 
 &rst iat= 1295, -1, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 0,  igr2= 1994, 1995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO HD3  79 LEU H 3.90 
 &rst iat=  1283, 1295, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 PRO HD2  79 LEU H 3.36 
 &rst iat=  1282, 1295, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU H  80 LEU HA 5.52 
 &rst iat=  1295, 1316, r1= 5.02, r2= 5.52,
 r3= 5.52, r4= 6.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HA  79 LEU H 4.43 
 &rst iat=  1261, 1295, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  80 LEU H 4.30 
 &rst iat=  1259, 1314, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU H  83 GLU H 4.82 
 &rst iat=  1314, 1372, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU H  80 LEU H 3.31 
 &rst iat=  1295, 1314, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU H  82 PHE H 4.63 
 &rst iat=  1314, 1352, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 PRO HA  80 LEU H 4.48 
 &rst iat=  1291, 1314, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU H  81 ILE HA 5.51 
 &rst iat=  1314, 1335, r1= 5.01, r2= 5.51,
 r3= 5.51, r4= 6.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HB2  80 LEU H 3.71 
 &rst iat=  1263, 1314, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HD3  80 LEU H 3.97 
 &rst iat=  1270, 1314, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HD2  80 LEU H 3.97 
 &rst iat=  1269, 1314, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HG3  80 LEU H 3.21 
 &rst iat=  1267, 1314, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU 3HB 2HB    80 LEU H 3.22 
 &rst iat= -1, 1314, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 1300, 1299,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 1HD2 2HD2 3HD2    80 LEU H 5.00 
 &rst iat= -1, 1314, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 1308, 1309, 1310,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 1HD1 2HD1 3HD1    80 LEU H 5.00 
 &rst iat= -1, 1314, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 1304, 1305, 1306,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    80 LEU H 4.12 
 &rst iat= 1314, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    80 LEU H 5.36 
 &rst iat= 1314, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    81 ILE H 5.19 
 &rst iat= -1, 1333, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 1108, 1110, 1109,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    81 ILE H 5.19 
 &rst iat= -1, 1333, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 1112, 1114, 1113,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    81 ILE H 4.77 
 &rst iat= 1333, -1, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    81 ILE H 3.33 
 &rst iat= 1333, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    81 ILE H 5.82 
 &rst iat= 1333, -1, r1= 6.49, r2= 6.99, r3= 6.99, r4= 7.49,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU HB2  81 ILE H 3.87 
 &rst iat=  1318, 1333, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE H  81 ILE HG13 3.88 
 &rst iat=  1333, 1344, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE H  81 ILE HB 3.52 
 &rst iat=  1333, 1337, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE H  82 PHE HB2 5.44 
 &rst iat=  1333, 1356, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE H  82 PHE HB3 5.50 
 &rst iat=  1333, 1357, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE H  82 PHE HA 5.73 
 &rst iat=  1333, 1354, r1= 5.23, r2= 5.73,
 r3= 5.73, r4= 6.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HB3  81 ILE H 4.39 
 &rst iat=  1172, 1333, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 PRO HA  81 ILE H 3.99 
 &rst iat=  1291, 1333, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU H  81 ILE H 4.78 
 &rst iat=  1295, 1333, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    83 GLU H 5.05 
 &rst iat= -1, 1372, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    83 GLU H 5.37 
 &rst iat= 1372, -1, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU H  84 ILE HG12 4.43 
 &rst iat=  1372, 1397, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU H  86 GLN HB2 5.29 
 &rst iat=  1372, 1429, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU H  83 GLU HB2 3.58 
 &rst iat=  1372, 1376, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU H  83 GLU HG3 4.19 
 &rst iat=  1372, 1380, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HB2  83 GLU H 3.97 
 &rst iat=  1356, 1372, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HB3  83 GLU H 3.53 
 &rst iat=  1357, 1372, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU HA  83 GLU H 4.64 
 &rst iat=  1297, 1372, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU HA  83 GLU H 3.78 
 &rst iat=  1316, 1372, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    83 GLU H 4.34 
 &rst iat= -1, 1372, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 1368, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE H  83 GLU H 4.65 
 &rst iat=  1333, 1372, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HZ  125 SER H 4.93 
 &rst iat=  1364, 2072, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE H  83 GLU H 3.33 
 &rst iat=  1352, 1372, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU H  86 GLN H 5.01 
 &rst iat=  1372, 1425, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    125 SER H 3.96 
 &rst iat= 2072, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    125 SER H 6.22 
 &rst iat= 2072, -1, r1= 6.97, r2= 7.47, r3= 7.47, r4= 7.97,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 ASP HB3  125 SER H 4.28 
 &rst iat=  2054, 2072, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP HB2  125 SER H 4.67 
 &rst iat=  2053, 2072, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 SER HB2  125 SER H 4.11 
 &rst iat=  2065, 2072, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 SER HB3  125 SER H 4.11 
 &rst iat=  2066, 2072, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER 2HB 3HB    125 SER H 3.12 
 &rst iat= 2072, -1, r1= 3.00, r2= 3.50, r3= 3.50, r4= 4.00,
 igr1= 0,  igr2= 2076, 2077,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  125 SER H  126 VAL H 3.22 
 &rst iat=  2072, 2083, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    84 ILE H 3.26 
 &rst iat= 1387, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE H  84 ILE HG13 3.70 
 &rst iat=  1387, 1398, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE H  84 ILE HG12 3.10 
 &rst iat=  1387, 1397, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU HB2  84 ILE H 3.82 
 &rst iat=  1376, 1387, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU HB3  84 ILE H 3.82 
 &rst iat=  1377, 1387, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE HA  84 ILE H 4.21 
 &rst iat=  1335, 1387, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU HA  84 ILE H 4.81 
 &rst iat=  1316, 1387, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU H  84 ILE H 3.48 
 &rst iat=  1372, 1387, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE H  86 GLN H 4.40 
 &rst iat=  1387, 1425, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  133 TYR HH 5.05 
 &rst iat=  1406, 2229, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HE1 HE2    85 LEU H 5.74 
 &rst iat= 1406, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HA  85 LEU H 4.24 
 &rst iat=  1354, 1406, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE HA  85 LEU H 4.91 
 &rst iat=  1335, 1406, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  86 GLN HB2 5.27 
 &rst iat=  1406, 1429, r1= 4.77, r2= 5.27,
 r3= 5.27, r4= 5.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  87 ARG HG2 5.74 
 &rst iat=  1406, 1449, r1= 5.24, r2= 5.74,
 r3= 5.74, r4= 6.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE HB  85 LEU H 3.34 
 &rst iat=  1391, 1406, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  85 LEU HB3 3.85 
 &rst iat=  1406, 1411, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  85 LEU HB2 3.85 
 &rst iat=  1406, 1410, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    85 LEU H 3.47 
 &rst iat= -1, 1406, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    85 LEU H 4.09 
 &rst iat= -1, 1406, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD2 2HD2 1HD2    85 LEU H 3.70 
 &rst iat= 1406, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 1421, 1420, 1419,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD1 2HD1 1HD1    85 LEU H 3.70 
 &rst iat= 1406, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 1417, 1416, 1415,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD1 2HD1 1HD1    86 GLN H 4.77 
 &rst iat= -1, 1425, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 1417, 1416, 1415,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    86 GLN H 4.69 
 &rst iat= 1425, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    86 GLN H 5.13 
 &rst iat= -1, 1425, r1= 5.66, r2= 6.16, r3= 6.16, r4= 6.66,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    86 GLN H 4.69 
 &rst iat= 1425, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU HB2  86 GLN H 3.98 
 &rst iat=  1410, 1425, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  86 GLN HB3 3.22 
 &rst iat=  1425, 1430, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HB3  86 GLN H 3.98 
 &rst iat=  1411, 1425, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  86 GLN HB2 3.03 
 &rst iat=  1425, 1429, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  86 GLN HG3 4.48 
 &rst iat=  1425, 1433, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE HA  86 GLN H 4.56 
 &rst iat=  1389, 1425, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  87 ARG HA 5.56 
 &rst iat=  1425, 1444, r1= 5.06, r2= 5.56,
 r3= 5.56, r4= 6.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  89 SER HG 5.64 
 &rst iat=  1425, 1492, r1= 5.14, r2= 5.64,
 r3= 5.64, r4= 6.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    86 GLN H 4.90 
 &rst iat= -1, 1425, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 1368, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    86 GLN H 5.60 
 &rst iat= 1425, -1, r1= 5.79, r2= 6.29, r3= 6.29, r4= 6.79,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU H  86 GLN H 3.30 
 &rst iat=  1406, 1425, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  87 ARG H 3.48 
 &rst iat=  1425, 1442, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  87 ARG H 4.38 
 &rst iat=  1406, 1442, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HD1 HD2    87 ARG H 5.82 
 &rst iat= -1, 1442, r1= 6.03, r2= 6.53, r3= 6.53, r4= 7.03,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ARG H  90 GLU H 6.18 
 &rst iat=  1442, 1496, r1= 5.68, r2= 6.18,
 r3= 6.18, r4= 6.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  89 SER H 4.78 
 &rst iat=  1442, 1485, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HE22  87 ARG H 5.74 
 &rst iat=  1438, 1442, r1= 5.24, r2= 5.74,
 r3= 5.74, r4= 6.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  89 SER HG 5.08 
 &rst iat=  1442, 1492, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE HA  87 ARG H 3.99 
 &rst iat=  1389, 1442, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  87 ARG HD2 4.37 
 &rst iat=  1442, 1452, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  87 ARG HD3 4.30 
 &rst iat=  1442, 1453, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  87 ARG HG2 3.07 
 &rst iat=  1442, 1449, r1= 2.57, r2= 3.07,
 r3= 3.07, r4= 3.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HB3  87 ARG H 3.39 
 &rst iat=  1430, 1442, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  87 ARG HG3 3.74 
 &rst iat=  1442, 1450, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    87 ARG H 6.50 
 &rst iat= 1442, -1, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    87 ARG H 4.80 
 &rst iat= -1, 1442, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    87 ARG H 6.50 
 &rst iat= 1442, -1, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ARG HG3  87 ARG HE 3.98 
 &rst iat=  1450, 1455, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HB2  87 ARG HE 4.10 
 &rst iat=  1446, 1455, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HG2  87 ARG HE 3.71 
 &rst iat=  1449, 1455, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HB3  87 ARG HE 4.10 
 &rst iat=  1447, 1455, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HA  87 ARG HE 3.60 
 &rst iat=  1444, 1455, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HE22  87 ARG HE 5.89 
 &rst iat=  1438, 1455, r1= 5.39, r2= 5.89,
 r3= 5.89, r4= 6.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  87 ARG HE 4.77 
 &rst iat=  1442, 1455, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  133 TYR HH 4.32 
 &rst iat=  1466, 2229, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  88 LEU H 4.84 
 &rst iat=  1425, 1466, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  88 LEU H 3.60 
 &rst iat=  1442, 1466, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HE1 HE2    88 LEU H 5.63 
 &rst iat= 1466, -1, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU H  89 SER H 3.55 
 &rst iat=  1466, 1485, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  89 SER HG 5.01 
 &rst iat=  1466, 1492, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HA  88 LEU H 4.29 
 &rst iat=  1408, 1466, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HA  88 LEU H 5.16 
 &rst iat=  1427, 1466, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  89 SER HB3 5.01 
 &rst iat=  1466, 1490, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE HA  88 LEU H 4.78 
 &rst iat=  1389, 1466, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HD2  88 LEU H 4.96 
 &rst iat=  1452, 1466, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HB2  88 LEU H 6.07 
 &rst iat=  754, 1466, r1= 5.57, r2= 6.07,
 r3= 6.07, r4= 6.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HD3  88 LEU H 6.50 
 &rst iat=  1453, 1466, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  88 LEU HG 3.23 
 &rst iat=  1466, 1473, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HB3  88 LEU H 4.07 
 &rst iat=  1447, 1466, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  88 LEU HB3 3.78 
 &rst iat=  1466, 1471, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HG2  88 LEU H 3.93 
 &rst iat=  1449, 1466, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HB2  88 LEU H 4.07 
 &rst iat=  1446, 1466, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  88 LEU HB2 3.78 
 &rst iat=  1466, 1470, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU 3HD2 2HD2 1HD2    88 LEU H 3.73 
 &rst iat= 1466, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 1481, 1480, 1479,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HD1 2HD1 1HD1    88 LEU H 3.73 
 &rst iat= 1466, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 1477, 1476, 1475,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU H  88 LEU H 5.15 
 &rst iat=  1406, 1466, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER H  133 TYR HH 4.15 
 &rst iat=  1485, 2229, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HE21  89 SER H 5.30 
 &rst iat=  1437, 1485, r1= 4.80, r2= 5.30,
 r3= 5.30, r4= 5.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HE1 HE2    89 SER H 4.33 
 &rst iat= 1485, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 SER H  89 SER HG 3.34 
 &rst iat=  1485, 1492, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HA  89 SER H 4.50 
 &rst iat=  1408, 1485, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HA  89 SER H 4.79 
 &rst iat=  1444, 1485, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HA  89 SER H 4.05 
 &rst iat=  1427, 1485, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER H  89 SER HB3 3.68 
 &rst iat=  1485, 1490, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER H  89 SER HB2 3.82 
 &rst iat=  1485, 1489, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU HG  89 SER H 4.55 
 &rst iat=  1473, 1485, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU 3HD2 2HD2 1HD2    89 SER H 5.60 
 &rst iat= -1, 1485, r1= 6.23, r2= 6.73, r3= 6.73, r4= 7.23,
 igr1= 1481, 1480, 1479,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    90 GLU H 4.84 
 &rst iat= 1496, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    90 GLU H 4.36 
 &rst iat= 1496, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU H  90 GLU HB2 3.77 
 &rst iat=  1496, 1500, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU H  90 GLU HG2 3.58 
 &rst iat=  1496, 1503, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU H  90 GLU HB3 3.77 
 &rst iat=  1496, 1501, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU H  91 LEU HG 4.00 
 &rst iat=  1496, 1518, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU H  90 GLU HG3 3.58 
 &rst iat=  1496, 1504, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HB2  90 GLU H 4.56 
 &rst iat=  1489, 1496, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG 3HD 2HD    90 GLU H 6.50 
 &rst iat= 1496, -1, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 0,  igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 SER HB3  90 GLU H 4.73 
 &rst iat=  1490, 1496, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HA  90 GLU H 5.34 
 &rst iat=  1427, 1496, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HA  90 GLU H 4.17 
 &rst iat=  1444, 1496, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU HA  90 GLU H 4.55 
 &rst iat=  1468, 1496, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU H  91 LEU HA 4.97 
 &rst iat=  1496, 1513, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HG  90 GLU H 3.67 
 &rst iat=  1492, 1496, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER H  90 GLU H 3.54 
 &rst iat=  1485, 1496, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  90 GLU H 4.60 
 &rst iat=  1466, 1496, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    91 LEU H 3.69 
 &rst iat= 1511, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU H  91 LEU HB2 3.83 
 &rst iat=  1511, 1515, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU H  91 LEU HG 3.17 
 &rst iat=  1511, 1518, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU H  94 PHE HB3 4.20 
 &rst iat=  1511, 1581, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU H  94 PHE HA 5.60 
 &rst iat=  1511, 1578, r1= 5.10, r2= 5.60,
 r3= 5.60, r4= 6.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU HA  91 LEU H 4.24 
 &rst iat=  1468, 1511, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HG  91 LEU H 4.90 
 &rst iat=  1492, 1511, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER H  91 LEU H 4.49 
 &rst iat=  1485, 1511, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU H  91 LEU H 3.10 
 &rst iat=  1496, 1511, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU H  94 PHE H 4.70 
 &rst iat=  1511, 1576, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  91 LEU H 5.99 
 &rst iat=  1466, 1511, r1= 5.49, r2= 5.99,
 r3= 5.99, r4= 6.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU H  92 LYS H 4.69 
 &rst iat=  1511, 1530, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    92 LYS H 4.74 
 &rst iat= -1, 1530, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1520, 1521, 1522,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    92 LYS H 3.75 
 &rst iat= -1, 1530, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 1524, 1525, 1526,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU HB2  92 LYS H 4.07 
 &rst iat=  1515, 1530, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LYS 3HB 2HB    92 LYS H 3.15 
 &rst iat= 1530, -1, r1= 3.04, r2= 3.54, r3= 3.54, r4= 4.04,
 igr1= 0,  igr2= 1535, 1534,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU HB3  92 LYS H 4.07 
 &rst iat=  1516, 1530, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU HG  92 LYS H 5.25 
 &rst iat=  1518, 1530, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LYS 2HE 3HE    92 LYS H 5.10 
 &rst iat= 1530, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 1543, 1544,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 LYS H  93 ARG HA 5.36 
 &rst iat=  1530, 1554, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU HA  92 LYS H 3.15 
 &rst iat=  1513, 1530, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LYS H  93 ARG H 4.92 
 &rst iat=  1530, 1552, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HB3  92 LYS H 6.50 
 &rst iat=  831, 1530, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU HB2  94 PHE H 4.81 
 &rst iat=  1515, 1576, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ARG 3HB 2HB    94 PHE H 4.84 
 &rst iat= -1, 1576, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 1557, 1556,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 LYS 3HB 2HB    94 PHE H 4.88 
 &rst iat= -1, 1576, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 1535, 1534,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU HB3  94 PHE H 4.81 
 &rst iat=  1516, 1576, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE H  94 PHE HB2 3.58 
 &rst iat=  1576, 1580, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE H  94 PHE HB3 3.58 
 &rst iat=  1576, 1581, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LYS HA  94 PHE H 3.86 
 &rst iat=  1532, 1576, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE HD2 HD1    94 PHE H 4.47 
 &rst iat= 1576, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1592, 1584,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    94 PHE H 5.21 
 &rst iat= 1576, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 0,  igr2= 1586, 1590,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE H  96 MET H 4.55 
 &rst iat=  1576, 1608, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ARG H  94 PHE H 4.17 
 &rst iat=  1552, 1576, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 LYS H  94 PHE H 4.95 
 &rst iat=  1530, 1576, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE H  95 ASP H 3.26 
 &rst iat=  1576, 1596, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP H  96 MET H 3.19 
 &rst iat=  1596, 1608, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP H  97 ALA H 4.15 
 &rst iat=  1596, 1625, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP H  98 VAL H 4.89 
 &rst iat=  1596, 1635, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE HE1 HE2    95 ASP H 4.51 
 &rst iat= -1, 1596, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 1586, 1590,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    95 ASP H 4.26 
 &rst iat= -1, 1596, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 1592, 1584,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ARG HA  95 ASP H 4.14 
 &rst iat=  1554, 1596, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP H  96 MET HA 5.23 
 &rst iat=  1596, 1610, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE HB3  95 ASP H 4.20 
 &rst iat=  1581, 1596, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE HB2  95 ASP H 4.20 
 &rst iat=  1580, 1596, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP H  95 ASP HB3 3.19 
 &rst iat=  1596, 1601, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP H  95 ASP HB2 3.19 
 &rst iat=  1596, 1600, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET 2HG 3HG    95 ASP H 5.35 
 &rst iat= 1596, -1, r1= 5.51, r2= 6.01, r3= 6.01, r4= 6.51,
 igr1= 0,  igr2= 1615, 1616,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET 2HE 1HE 3HE    95 ASP H 5.68 
 &rst iat= 1596, -1, r1= 6.32, r2= 6.82, r3= 6.82, r4= 7.32,
 igr1= 0,  igr2= 1620, 1619, 1621,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 ASP H  98 VAL HB 5.44 
 &rst iat=  1596, 1639, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    95 ASP H 5.10 
 &rst iat= 1596, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    95 ASP H 4.61 
 &rst iat= 1596, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ARG HA  96 MET H 4.13 
 &rst iat=  1554, 1608, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ARG 3HD 2HD    96 MET H 5.71 
 &rst iat= -1, 1608, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 1563, 1562,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 ASP HB3  96 MET H 4.07 
 &rst iat=  1601, 1608, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP HB2  96 MET H 4.07 
 &rst iat=  1600, 1608, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET H  96 MET HB2 3.80 
 &rst iat=  1608, 1612, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET 2HG 3HG    96 MET H 3.18 
 &rst iat= 1608, -1, r1= 3.07, r2= 3.57, r3= 3.57, r4= 4.07,
 igr1= 0,  igr2= 1615, 1616,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    96 MET H 4.54 
 &rst iat= 1608, -1, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    97 ALA H 4.25 
 &rst iat= 1625, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    97 ALA H 2.81 
 &rst iat= 1625, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA H  98 VAL HB 4.79 
 &rst iat=  1625, 1639, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET HB2  97 ALA H 4.31 
 &rst iat=  1612, 1625, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ARG 3HD 2HD    97 ALA H 6.19 
 &rst iat= -1, 1625, r1= 6.45, r2= 6.95, r3= 6.95, r4= 7.45,
 igr1= 1563, 1562,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA H  98 VAL HA 5.45 
 &rst iat=  1625, 1637, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE HA  97 ALA H 4.09 
 &rst iat=  1578, 1625, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET H  97 ALA H 2.97 
 &rst iat=  1608, 1625, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE H  97 ALA H 5.25 
 &rst iat=  1576, 1625, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    98 VAL H 2.93 
 &rst iat= 1635, -1, r1= 3.02, r2= 3.52, r3= 3.52, r4= 4.02,
 igr1= 0,  igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    98 VAL H 3.77 
 &rst iat= 1635, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    98 VAL H 3.15 
 &rst iat= -1, 1635, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 1629, 1631, 1630,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL H  98 VAL HB 3.06 
 &rst iat=  1635, 1639, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL H  99 MET HB2 5.45 
 &rst iat=  1635, 1655, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL H  99 MET HB3 5.45 
 &rst iat=  1635, 1656, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    98 VAL H 5.36 
 &rst iat= 1635, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 0,  igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 ASP HA  98 VAL H 3.87 
 &rst iat=  1598, 1635, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET HA  98 VAL H 4.87 
 &rst iat=  1610, 1635, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA H  98 VAL H 3.19 
 &rst iat=  1625, 1635, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL H  99 MET H 3.13 
 &rst iat=  1635, 1651, r1= 2.63, r2= 3.13,
 r3= 3.13, r4= 3.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 ASP HA  99 MET H 4.64 
 &rst iat=  1598, 1651, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA HA  99 MET H 5.04 
 &rst iat=  1627, 1651, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET H  99 MET HG3 5.02 
 &rst iat=  1651, 1659, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET H  99 MET HB3 3.21 
 &rst iat=  1651, 1656, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET H  99 MET HB2 3.21 
 &rst iat=  1651, 1655, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL HB  99 MET H 3.32 
 &rst iat=  1639, 1651, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    99 MET H 4.59 
 &rst iat= -1, 1651, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 1629, 1631, 1630,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    99 MET H 3.69 
 &rst iat= -1, 1651, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    100 PHE H 5.50 
 &rst iat= -1, 1668, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    100 PHE H 5.11 
 &rst iat= -1, 1668, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    100 PHE H 4.52 
 &rst iat= -1, 1668, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 1629, 1631, 1630,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL HB  100 PHE H 5.13 
 &rst iat=  1639, 1668, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET HB2  100 PHE H 4.12 
 &rst iat=  1655, 1668, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET HB3  100 PHE H 4.12 
 &rst iat=  1656, 1668, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 PHE H  100 PHE HB2 3.55 
 &rst iat=  1668, 1672, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 PHE H  100 PHE HB3 3.55 
 &rst iat=  1668, 1673, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA HA  100 PHE H 3.95 
 &rst iat=  1627, 1668, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 PHE H  101 MET HA 5.12 
 &rst iat=  1668, 1690, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    101 MET H 5.34 
 &rst iat= -1, 1688, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    101 MET H 4.61 
 &rst iat= -1, 1688, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET H  101 MET HB2 3.76 
 &rst iat=  1688, 1692, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET H  101 MET HB3 3.76 
 &rst iat=  1688, 1693, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET H  101 MET HG2 3.54 
 &rst iat=  1688, 1695, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 PHE HB2  101 MET H 4.11 
 &rst iat=  1672, 1688, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET H  101 MET HG3 3.54 
 &rst iat=  1688, 1696, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL HA  101 MET H 3.75 
 &rst iat=  1637, 1688, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 PHE HB3  101 MET H 4.11 
 &rst iat=  1673, 1688, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET HA  101 MET H 4.43 
 &rst iat=  1653, 1688, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 PHE HA  101 MET H 3.53 
 &rst iat=  1670, 1688, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET H  102 SER H 4.79 
 &rst iat=  1688, 1705, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  105 GLU HB2 4.20 
 &rst iat=  1705, 1749, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  105 GLU HB3 4.20 
 &rst iat=  1705, 1750, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  105 GLU HA 5.37 
 &rst iat=  1705, 1747, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET HA  102 SER H 3.14 
 &rst iat=  1690, 1705, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  102 SER HB3 4.17 
 &rst iat=  1705, 1710, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  105 GLU H 3.68 
 &rst iat=  1705, 1745, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  106 LYS H 4.57 
 &rst iat=  1705, 1760, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  103 GLU H 4.62 
 &rst iat=  1705, 1716, r1= 4.12, r2= 4.62,
 r3= 4.62, r4= 5.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 GLU H  105 GLU H 4.75 
 &rst iat=  1716, 1745, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER HA  103 GLU H 3.16 
 &rst iat=  1707, 1716, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER HB3  103 GLU H 3.82 
 &rst iat=  1710, 1716, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER HB2  103 GLU H 3.82 
 &rst iat=  1709, 1716, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS 2HE 3HE    103 GLU H 4.87 
 &rst iat= 1716, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 1773, 1774,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  103 GLU 3HG 2HG    103 GLU H 3.28 
 &rst iat= 1716, -1, r1= 3.18, r2= 3.68, r3= 3.68, r4= 4.18,
 igr1= 0,  igr2= 1724, 1723,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  103 GLU H  103 GLU HB2 3.99 
 &rst iat=  1716, 1720, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS 2HB 3HB    103 GLU H 5.00 
 &rst iat= 1716, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 0,  igr2= 1764, 1765,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 2HD 3HD    103 GLU H 6.50 
 &rst iat= 1716, -1, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 0,  igr2= 1770, 1771,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 THR 3HG2 2HG2 1HG2    104 THR H 3.82 
 &rst iat= 1731, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 1739, 1738, 1737,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HD 2HD    104 THR H 6.40 
 &rst iat= 1731, -1, r1= 6.68, r2= 7.18, r3= 7.18, r4= 7.68,
 igr1= 0,  igr2= 1793, 1792,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 2HB 3HB    104 THR H 5.22 
 &rst iat= 1731, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 0,  igr2= 1764, 1765,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  103 GLU HB2  104 THR H 4.10 
 &rst iat=  1720, 1731, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 GLU HB3  104 THR H 4.10 
 &rst iat=  1721, 1731, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 GLU 3HG 2HG    104 THR H 4.18 
 &rst iat= -1, 1731, r1= 4.19, r2= 4.69, r3= 4.69, r4= 5.19,
 igr1= 1724, 1723,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 THR H  104 THR HB 3.09 
 &rst iat=  1731, 1735, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 THR H  105 GLU H 3.33 
 &rst iat=  1731, 1745, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 THR H  106 LYS H 4.32 
 &rst iat=  1731, 1760, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 GLU H  104 THR H 3.82 
 &rst iat=  1716, 1731, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  104 THR H 4.97 
 &rst iat=  1705, 1731, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    105 GLU H 4.62 
 &rst iat= 1745, -1, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 THR 3HG2 2HG2 1HG2    105 GLU H 3.67 
 &rst iat= -1, 1745, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 1739, 1738, 1737,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 2HB 3HB    105 GLU H 4.57 
 &rst iat= 1745, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 1764, 1765,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU H  105 GLU HG2 4.24 
 &rst iat=  1745, 1752, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU H  105 GLU HB3 3.96 
 &rst iat=  1745, 1750, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU H  105 GLU HG3 4.24 
 &rst iat=  1745, 1753, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 THR HB  105 GLU H 3.44 
 &rst iat=  1735, 1745, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 GLU HA  105 GLU H 4.34 
 &rst iat=  1718, 1745, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET HA  105 GLU H 5.38 
 &rst iat=  1690, 1745, r1= 4.88, r2= 5.38,
 r3= 5.38, r4= 5.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU H  106 LYS H 3.27 
 &rst iat=  1745, 1760, r1= 2.77, r2= 3.27,
 r3= 3.27, r4= 3.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    106 LYS H 5.07 
 &rst iat= 1760, -1, r1= 5.59, r2= 6.09, r3= 6.09, r4= 6.59,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 THR 3HG2 2HG2 1HG2    106 LYS H 5.37 
 &rst iat= -1, 1760, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 1739, 1738, 1737,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 2HD 3HD    106 LYS H 5.04 
 &rst iat= 1760, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1770, 1771,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 2HB 3HB    106 LYS H 3.13 
 &rst iat= 1760, -1, r1= 3.01, r2= 3.51, r3= 3.51, r4= 4.01,
 igr1= 0,  igr2= 1764, 1765,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU HB2  106 LYS H 3.91 
 &rst iat=  1749, 1760, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU HB3  106 LYS H 3.91 
 &rst iat=  1750, 1760, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS 2HE 3HE    106 LYS H 4.50 
 &rst iat= 1760, -1, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 0,  igr2= 1773, 1774,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 THR HB  106 LYS H 5.21 
 &rst iat=  1735, 1760, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 GLU HA  106 LYS H 3.67 
 &rst iat=  1718, 1760, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET HA  106 LYS H 5.63 
 &rst iat=  1690, 1760, r1= 5.13, r2= 5.63,
 r3= 5.63, r4= 6.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    115 HID H 4.29 
 &rst iat= -1, 1920, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    115 HID H 4.93 
 &rst iat= 1920, -1, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS H  108 ILE HG13 5.61 
 &rst iat=  1782, 1815, r1= 5.11, r2= 5.61,
 r3= 5.61, r4= 6.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS 3HB 2HB    107 LYS H 2.70 
 &rst iat= 1782, -1, r1= 2.53, r2= 3.03, r3= 3.03, r4= 3.53,
 igr1= 0,  igr2= 1787, 1786,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU HA  107 LYS H 5.06 
 &rst iat=  1747, 1782, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU H  107 LYS H 4.32 
 &rst iat=  1745, 1782, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS H  108 ILE H 3.19 
 &rst iat=  1782, 1804, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS H  107 LYS H 3.22 
 &rst iat=  1760, 1782, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS H  110 ARG H 5.18 
 &rst iat=  1782, 1833, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 THR 3HG2 2HG2 1HG2    108 ILE H 5.45 
 &rst iat= -1, 1804, r1= 6.05, r2= 6.55, r3= 6.55, r4= 7.05,
 igr1= 1739, 1738, 1737,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE H  108 ILE HG13 3.26 
 &rst iat=  1804, 1815, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    108 ILE H 4.40 
 &rst iat= 1804, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 0,  igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE H  108 ILE HB 3.11 
 &rst iat=  1804, 1808, r1= 2.61, r2= 3.11,
 r3= 3.11, r4= 3.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS 3HB 2HB    108 ILE H 3.63 
 &rst iat= -1, 1804, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 1787, 1786,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    108 ILE H 5.64 
 &rst iat= -1, 1804, r1= 6.27, r2= 6.77, r3= 6.77, r4= 7.27,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 2HE 3HE    108 ILE H 5.04 
 &rst iat= -1, 1804, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 1795, 1796,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU HA  108 ILE H 3.66 
 &rst iat=  1747, 1804, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS HA  108 ILE H 4.50 
 &rst iat=  1762, 1804, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS H  108 ILE H 4.43 
 &rst iat=  1760, 1804, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    109 ALA H 3.53 
 &rst iat= -1, 1823, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 1812, 1811, 1810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    109 ALA H 3.85 
 &rst iat= -1, 1823, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    109 ALA H 5.17 
 &rst iat= 1823, -1, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HG13  109 ALA H 4.30 
 &rst iat=  1815, 1823, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    109 ALA H 2.75 
 &rst iat= 1823, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HB  109 ALA H 3.31 
 &rst iat=  1808, 1823, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    109 ALA H 4.48 
 &rst iat= -1, 1823, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU HA  109 ALA H 4.94 
 &rst iat=  1747, 1823, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS HA  109 ALA H 3.79 
 &rst iat=  1762, 1823, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE H  109 ALA H 3.17 
 &rst iat=  1804, 1823, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS H  109 ALA H 5.23 
 &rst iat=  1760, 1823, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA H  110 ARG H 3.14 
 &rst iat=  1823, 1833, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE H  110 ARG H 4.19 
 &rst iat=  1804, 1833, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    110 ARG H 5.00 
 &rst iat= 1833, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 0,  igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG H  111 ALA HA 5.45 
 &rst iat=  1833, 1859, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS HA  110 ARG H 4.50 
 &rst iat=  1762, 1833, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS HA  110 ARG H 3.91 
 &rst iat=  1784, 1833, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HA  110 ARG H 4.82 
 &rst iat=  1806, 1833, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG H  110 ARG HD3 4.81 
 &rst iat=  1833, 1844, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG H  110 ARG HD2 4.81 
 &rst iat=  1833, 1843, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    110 ARG H 5.44 
 &rst iat= -1, 1833, r1= 6.03, r2= 6.53, r3= 6.53, r4= 7.03,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG H  110 ARG HB3 3.00 
 &rst iat=  1833, 1838, r1= 2.50, r2= 3.00,
 r3= 3.00, r4= 3.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG H  110 ARG HG2 2.88 
 &rst iat=  1833, 1840, r1= 2.38, r2= 2.88,
 r3= 2.88, r4= 3.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG H  110 ARG HG3 3.46 
 &rst iat=  1833, 1841, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    110 ARG H 3.00 
 &rst iat= -1, 1833, r1= 3.10, r2= 3.60, r3= 3.60, r4= 4.10,
 igr1= 1829, 1828, 1827,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    110 ARG H 5.61 
 &rst iat= 1833, -1, r1= 6.24, r2= 6.74, r3= 6.74, r4= 7.24,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    110 ARG H 4.81 
 &rst iat= -1, 1833, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    110 ARG H 5.15 
 &rst iat= -1, 1833, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 1812, 1811, 1810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU H  113 PHE H 3.30 
 &rst iat=  1867, 1886, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    113 PHE H 3.32 
 &rst iat= 1886, -1, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 0,  igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE H  114 ASN HA 5.52 
 &rst iat=  1886, 1908, r1= 5.02, r2= 5.52,
 r3= 5.52, r4= 6.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA HA  113 PHE H 5.22 
 &rst iat=  1859, 1886, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HA  113 PHE H 3.83 
 &rst iat=  1835, 1886, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA HA  113 PHE H 4.87 
 &rst iat=  1825, 1886, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE H  113 PHE HB3 3.70 
 &rst iat=  1886, 1891, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE H  113 PHE HB2 3.70 
 &rst iat=  1886, 1890, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU HB2  113 PHE H 3.62 
 &rst iat=  1871, 1886, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU HG  113 PHE H 4.76 
 &rst iat=  1874, 1886, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    113 PHE H 5.06 
 &rst iat= -1, 1886, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 1861, 1862, 1863,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    113 PHE H 5.20 
 &rst iat= -1, 1886, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 1829, 1828, 1827,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU HB3  113 PHE H 3.68 
 &rst iat=  1872, 1886, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    113 PHE H 5.26 
 &rst iat= -1, 1886, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    113 PHE H 4.62 
 &rst iat= -1, 1886, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 1880, 1882, 1881,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    113 PHE H 5.58 
 &rst iat= -1, 1886, r1= 6.20, r2= 6.70, r3= 6.70, r4= 7.20,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    114 ASN H 5.01 
 &rst iat= 1906, -1, r1= 5.52, r2= 6.02, r3= 6.02, r4= 6.52,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    114 ASN H 4.71 
 &rst iat= -1, 1906, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 1861, 1862, 1863,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU HB2  114 ASN H 5.01 
 &rst iat=  1871, 1906, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  116 ILE HB 5.46 
 &rst iat=  1906, 1941, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  117 ASP HB2 5.43 
 &rst iat=  1906, 1960, r1= 4.93, r2= 5.43,
 r3= 5.43, r4= 5.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    114 ASN H 2.71 
 &rst iat= 1906, -1, r1= 2.54, r2= 3.04, r3= 3.04, r4= 3.54,
 igr1= 0,  igr2= 1911, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  114 ASN H  115 HID HB3 4.93 
 &rst iat=  1906, 1925, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU HA  114 ASN H 4.62 
 &rst iat=  1869, 1906, r1= 4.12, r2= 4.62,
 r3= 4.62, r4= 5.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HA  114 ASN H 4.39 
 &rst iat=  1835, 1906, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA HA  114 ASN H 3.67 
 &rst iat=  1859, 1906, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  115 HID HA 5.61 
 &rst iat=  1906, 1922, r1= 5.11, r2= 5.61,
 r3= 5.61, r4= 6.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  114 ASN HD21 4.65 
 &rst iat=  1906, 1915, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  115 HID H 3.13 
 &rst iat=  1906, 1920, r1= 2.63, r2= 3.13,
 r3= 3.13, r4= 3.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE H  114 ASN H 3.14 
 &rst iat=  1886, 1906, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HG3  114 ASN HD21 4.04 
 &rst iat=  1841, 1915, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    114 ASN HD21 4.45 
 &rst iat= -1, 1915, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 1861, 1862, 1863,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG HB2  114 ASN HD21 4.21 
 &rst iat=  1837, 1915, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    114 ASN HD21 3.42 
 &rst iat= -1, 1915, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 1911, 1910,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA HA  114 ASN HD21 3.85 
 &rst iat=  1859, 1915, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  114 ASN HD22 4.60 
 &rst iat=  1906, 1916, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN HA  114 ASN HD22 4.71 
 &rst iat=  1908, 1916, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    114 ASN HD22 3.34 
 &rst iat= -1, 1916, r1= 3.25, r2= 3.75, r3= 3.75, r4= 4.25,
 igr1= 1911, 1910,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG HB2  114 ASN HD22 4.27 
 &rst iat=  1837, 1916, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HG3  114 ASN HD22 4.15 
 &rst iat=  1841, 1916, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID H  117 ASP H 4.29 
 &rst iat=  1920, 1956, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID H  116 ILE H 3.34 
 &rst iat=  1920, 1937, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA HA  115 HID H 4.91 
 &rst iat=  1859, 1920, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU HA  115 HID H 3.78 
 &rst iat=  1869, 1920, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID H  115 HID HB3 3.20 
 &rst iat=  1920, 1925, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID H  115 HID HB2 3.14 
 &rst iat=  1920, 1924, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    115 HID H 3.18 
 &rst iat= -1, 1920, r1= 3.07, r2= 3.57, r3= 3.57, r4= 4.07,
 igr1= 1911, 1910,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    115 HID H 5.64 
 &rst iat= -1, 1920, r1= 6.27, r2= 6.77, r3= 6.77, r4= 7.27,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    115 HID H 5.10 
 &rst iat= -1, 1920, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 1880, 1882, 1881,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    115 HID H 5.76 
 &rst iat= 1920, -1, r1= 6.42, r2= 6.92, r3= 6.92, r4= 7.42,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    116 ILE H 4.80 
 &rst iat= -1, 1937, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    116 ILE H 3.49 
 &rst iat= 1937, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    116 ILE H 5.82 
 &rst iat= -1, 1937, r1= 6.49, r2= 6.99, r3= 6.99, r4= 7.49,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    116 ILE H 6.43 
 &rst iat= -1, 1937, r1= 7.22, r2= 7.72, r3= 7.72, r4= 8.22,
 igr1= 1346, 1348, 1347,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    116 ILE H 3.84 
 &rst iat= 1937, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE H  116 ILE HG13 3.69 
 &rst iat=  1937, 1948, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    116 ILE H 5.91 
 &rst iat= 1937, -1, r1= 6.60, r2= 7.10, r3= 7.10, r4= 7.60,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE H  116 ILE HG12 3.54 
 &rst iat=  1937, 1947, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE H  116 ILE HB 3.33 
 &rst iat=  1937, 1941, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE H  117 ASP HB2 4.85 
 &rst iat=  1937, 1960, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    116 ILE H 4.93 
 &rst iat= -1, 1937, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 1911, 1910,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID HB3  116 ILE H 3.66 
 &rst iat=  1925, 1937, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU HA  116 ILE H 4.58 
 &rst iat=  1869, 1937, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HA  116 ILE H 3.78 
 &rst iat=  1888, 1937, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE H  117 ASP HA 5.28 
 &rst iat=  1937, 1958, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN HA  116 ILE H 5.02 
 &rst iat=  1908, 1937, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    116 ILE H 5.57 
 &rst iat= -1, 1937, r1= 5.75, r2= 6.25, r3= 6.25, r4= 6.75,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE H  119 SER H 5.08 
 &rst iat=  1937, 1990, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE H  118 LYS H 4.80 
 &rst iat=  1937, 1968, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  116 ILE H 4.56 
 &rst iat=  1906, 1937, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN H  117 ASP H 4.91 
 &rst iat=  1906, 1956, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE H  117 ASP H 3.41 
 &rst iat=  1937, 1956, r1= 2.91, r2= 3.41,
 r3= 3.41, r4= 3.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP H  118 LYS H 3.29 
 &rst iat=  1956, 1968, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    117 ASP H 5.76 
 &rst iat= -1, 1956, r1= 5.97, r2= 6.47, r3= 6.47, r4= 6.97,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  114 ASN HA  117 ASP H 4.04 
 &rst iat=  1908, 1956, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP H  118 LYS HA 5.42 
 &rst iat=  1956, 1970, r1= 4.92, r2= 5.42,
 r3= 5.42, r4= 5.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HA  117 ASP H 4.16 
 &rst iat=  1888, 1956, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID HB2  117 ASP H 6.50 
 &rst iat=  1924, 1956, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP H  117 ASP HB3 3.16 
 &rst iat=  1956, 1961, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP H  117 ASP HB2 3.05 
 &rst iat=  1956, 1960, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE HB  117 ASP H 3.55 
 &rst iat=  1941, 1956, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS 3HB 2HB    117 ASP H 5.01 
 &rst iat= 1956, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 1973, 1972,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE HG13  117 ASP H 4.32 
 &rst iat=  1948, 1956, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    117 ASP H 4.88 
 &rst iat= 1956, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    117 ASP H 3.81 
 &rst iat= -1, 1956, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    117 ASP H 5.17 
 &rst iat= -1, 1956, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 1951, 1950, 1952,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    117 ASP H 5.69 
 &rst iat= 1956, -1, r1= 6.33, r2= 6.83, r3= 6.83, r4= 7.33,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID HA  118 LYS H 3.91 
 &rst iat=  1922, 1968, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP HB3  118 LYS H 3.39 
 &rst iat=  1961, 1968, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP HB2  118 LYS H 3.50 
 &rst iat=  1960, 1968, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS 2HE 3HE    118 LYS H 5.20 
 &rst iat= 1968, -1, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 0,  igr2= 1981, 1982,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 3HB 2HB    118 LYS H 2.79 
 &rst iat= 1968, -1, r1= 2.63, r2= 3.13, r3= 3.13, r4= 3.63,
 igr1= 0,  igr2= 1973, 1972,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 2HD 3HD    118 LYS H 4.08 
 &rst iat= 1968, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1978, 1979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS H  118 LYS HG3 3.64 
 &rst iat=  1968, 1976, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS H  118 LYS HG2 3.64 
 &rst iat=  1968, 1975, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    119 SER H 4.74 
 &rst iat= -1, 1990, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    119 SER H 5.05 
 &rst iat= 1990, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE HG13  119 SER H 6.37 
 &rst iat=  1948, 1990, r1= 5.87, r2= 6.37,
 r3= 6.37, r4= 6.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS HG2  119 SER H 4.48 
 &rst iat=  1975, 1990, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS HG3  119 SER H 4.48 
 &rst iat=  1976, 1990, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS 2HD 3HD    119 SER H 4.52 
 &rst iat= -1, 1990, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 1978, 1979,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 3HB 2HB    119 SER H 3.68 
 &rst iat= -1, 1990, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 1973, 1972,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO HB3  119 SER H 5.34 
 &rst iat=  1289, 1990, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP HB2  119 SER H 5.32 
 &rst iat=  1960, 1990, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP HB3  119 SER H 4.84 
 &rst iat=  1961, 1990, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS 2HE 3HE    119 SER H 5.23 
 &rst iat= -1, 1990, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 1981, 1982,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE HA  119 SER H 3.92 
 &rst iat=  1939, 1990, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER H  120 GLY HA2 5.49 
 &rst iat=  1990, 2003, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER 2HB 3HB    119 SER H 3.26 
 &rst iat= 1990, -1, r1= 3.16, r2= 3.66, r3= 3.66, r4= 4.16,
 igr1= 0,  igr2= 1994, 1995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS HA  119 SER H 3.50 
 &rst iat=  1970, 1990, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP HA  119 SER H 4.22 
 &rst iat=  1958, 1990, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID HA  119 SER H 4.53 
 &rst iat=  1922, 1990, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER H  121 LEU H 4.16 
 &rst iat=  1990, 2008, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER H  120 GLY H 3.20 
 &rst iat=  1990, 2001, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS H  119 SER H 3.10 
 &rst iat=  1968, 1990, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP H  119 SER H 4.28 
 &rst iat=  1956, 1990, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    120 GLY H 5.55 
 &rst iat= 2001, -1, r1= 6.17, r2= 6.67, r3= 6.67, r4= 7.17,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    120 GLY H 4.97 
 &rst iat= 2001, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    120 GLY H 5.40 
 &rst iat= -1, 2001, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 GLY H  121 LEU HB3 6.07 
 &rst iat=  2001, 2013, r1= 5.57, r2= 6.07,
 r3= 6.07, r4= 6.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HG 3HG    120 GLY H 5.84 
 &rst iat= 2001, -1, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 0,  igr2= 2034, 2035,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 GLY H  121 LEU HG 4.28 
 &rst iat=  2001, 2015, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  120 GLY H  121 LEU HB2 4.71 
 &rst iat=  2001, 2012, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HD 3HD    120 GLY H 4.39 
 &rst iat= 2001, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 0,  igr2= 2037, 2038,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 3HB 2HB    120 GLY H 4.85 
 &rst iat= -1, 2001, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 1973, 1972,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  117 ASP HB3  120 GLY H 5.92 
 &rst iat=  1961, 2001, r1= 5.42, r2= 5.92,
 r3= 5.92, r4= 6.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HE 3HE    120 GLY H 6.24 
 &rst iat= 2001, -1, r1= 6.50, r2= 7.00, r3= 7.00, r4= 7.50,
 igr1= 0,  igr2= 2040, 2041,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE HA  120 GLY H 5.45 
 &rst iat=  1939, 2001, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER 2HB 3HB    120 GLY H 4.09 
 &rst iat= -1, 2001, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 1994, 1995,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS HA  120 GLY H 3.85 
 &rst iat=  1970, 2001, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER HA  120 GLY H 3.50 
 &rst iat=  1992, 2001, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP HA  120 GLY H 4.07 
 &rst iat=  1958, 2001, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  120 GLY H  121 LEU H 2.98 
 &rst iat=  2001, 2008, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS H  120 GLY H 4.51 
 &rst iat=  1968, 2001, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    121 LEU H 4.08 
 &rst iat= 2008, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    121 LEU H 3.41 
 &rst iat= 2008, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    121 LEU H 4.31 
 &rst iat= -1, 2008, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU H  121 LEU HB3 3.69 
 &rst iat=  2008, 2013, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU H  121 LEU HG 3.17 
 &rst iat=  2008, 2015, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU H  121 LEU HB2 3.10 
 &rst iat=  2008, 2012, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HD 3HD    121 LEU H 4.45 
 &rst iat= 2008, -1, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 0,  igr2= 2037, 2038,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 2HE 3HE    121 LEU H 5.41 
 &rst iat= 2008, -1, r1= 5.57, r2= 6.07, r3= 6.07, r4= 6.57,
 igr1= 0,  igr2= 2040, 2041,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  117 ASP HB2  121 LEU H 6.12 
 &rst iat=  1960, 2008, r1= 5.62, r2= 6.12,
 r3= 6.12, r4= 6.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE HA  121 LEU H 5.31 
 &rst iat=  1939, 2008, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER 2HB 3HB    121 LEU H 4.36 
 &rst iat= -1, 2008, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 1994, 1995,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  117 ASP HA  121 LEU H 3.94 
 &rst iat=  1958, 2008, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP H  121 LEU H 5.55 
 &rst iat=  1956, 2008, r1= 5.05, r2= 5.55,
 r3= 5.55, r4= 6.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU H  122 LYS H 4.68 
 &rst iat=  2008, 2027, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU HA  122 LYS H 2.45 
 &rst iat=  2010, 2027, r1= 1.95, r2= 2.45,
 r3= 2.45, r4= 2.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HE 3HE    122 LYS H 5.07 
 &rst iat= 2027, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 0,  igr2= 2040, 2041,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS H  123 ASP HB2 4.71 
 &rst iat=  2027, 2053, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS H  123 ASP HB3 5.81 
 &rst iat=  2027, 2054, r1= 5.31, r2= 5.81,
 r3= 5.81, r4= 6.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HD 3HD    122 LYS H 3.28 
 &rst iat= 2027, -1, r1= 3.18, r2= 3.68, r3= 3.68, r4= 4.18,
 igr1= 0,  igr2= 2037, 2038,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU HB2  122 LYS H 4.44 
 &rst iat=  2012, 2027, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HG 3HG    122 LYS H 3.76 
 &rst iat= 2027, -1, r1= 3.72, r2= 4.22, r3= 4.22, r4= 4.72,
 igr1= 0,  igr2= 2034, 2035,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU HB3  122 LYS H 3.68 
 &rst iat=  2013, 2027, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    122 LYS H 4.55 
 &rst iat= 2027, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    123 ASP H 5.96 
 &rst iat= -1, 2049, r1= 6.66, r2= 7.16, r3= 7.16, r4= 7.66,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    123 ASP H 4.01 
 &rst iat= 2049, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU HB3  123 ASP H 5.01 
 &rst iat=  2013, 2049, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS 2HG 3HG    123 ASP H 4.51 
 &rst iat= -1, 2049, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 2034, 2035,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS HB2  123 ASP H 4.68 
 &rst iat=  2031, 2049, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS HB3  123 ASP H 4.68 
 &rst iat=  2032, 2049, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP H  126 VAL HB 3.60 
 &rst iat=  2049, 2087, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP H  123 ASP HB2 3.30 
 &rst iat=  2049, 2053, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP H  123 ASP HB3 3.34 
 &rst iat=  2049, 2054, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP H  126 VAL HA 5.23 
 &rst iat=  2049, 2085, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS HA  123 ASP H 2.69 
 &rst iat=  2029, 2049, r1= 2.19, r2= 2.69,
 r3= 2.69, r4= 3.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP H  125 SER H 5.23 
 &rst iat=  2049, 2072, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP H  124 SER H 4.65 
 &rst iat=  2049, 2061, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 SER H  125 SER H 4.69 
 &rst iat=  2061, 2072, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 SER H  126 VAL H 5.17 
 &rst iat=  2061, 2083, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP HB2  124 SER H 4.23 
 &rst iat=  2053, 2061, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP HB3  124 SER H 4.42 
 &rst iat=  2054, 2061, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    126 VAL H 2.73 
 &rst iat= 2083, -1, r1= 2.78, r2= 3.28, r3= 3.28, r4= 3.78,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    126 VAL H 3.78 
 &rst iat= 2083, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU 3HB 2HB    126 VAL H 4.80 
 &rst iat= 2083, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 2119, 2118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL H  126 VAL HB 2.97 
 &rst iat=  2083, 2087, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP HB3  126 VAL H 4.24 
 &rst iat=  2054, 2083, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP HB2  126 VAL H 4.50 
 &rst iat=  2053, 2083, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER 2HB 3HB    126 VAL H 3.56 
 &rst iat= -1, 2083, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 2076, 2077,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 SER HA  126 VAL H 4.25 
 &rst iat=  2063, 2083, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 ASP HA  126 VAL H 4.78 
 &rst iat=  2051, 2083, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HZ  126 VAL H 4.55 
 &rst iat=  1364, 2083, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HE1 HE2    126 VAL H 4.47 
 &rst iat= -1, 2083, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL H  127 GLU H 3.08 
 &rst iat=  2083, 2099, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    128 GLU H 5.76 
 &rst iat= -1, 2114, r1= 6.42, r2= 6.92, r3= 6.92, r4= 7.42,
 igr1= 2093, 2095, 2094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU H  130 LYS HG2 6.19 
 &rst iat=  2114, 2155, r1= 5.69, r2= 6.19,
 r3= 6.19, r4= 6.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    128 GLU H 5.32 
 &rst iat= -1, 2114, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 2089, 2091, 2090,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU H  131 LYS HG2 5.00 
 &rst iat=  2114, 2177, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS 2HD 3HD    128 GLU H 5.94 
 &rst iat= 2114, -1, r1= 6.17, r2= 6.67, r3= 6.67, r4= 7.17,
 igr1= 0,  igr2= 2180, 2181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU 3HB 2HB    128 GLU H 2.62 
 &rst iat= 2114, -1, r1= 2.44, r2= 2.94, r3= 2.94, r4= 3.44,
 igr1= 0,  igr2= 2119, 2118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU 2HG 3HG    128 GLU H 3.44 
 &rst iat= -1, 2114, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 2106, 2107,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 SER HA  128 GLU H 4.50 
 &rst iat=  2063, 2114, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER HA  128 GLU H 3.68 
 &rst iat=  2074, 2114, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU H  131 LYS H 5.47 
 &rst iat=  2114, 2170, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU H  128 GLU H 3.01 
 &rst iat=  2099, 2114, r1= 2.51, r2= 3.01,
 r3= 3.01, r4= 3.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU H  130 LYS H 4.25 
 &rst iat=  2114, 2148, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU H  130 LYS HG2 5.01 
 &rst iat=  2129, 2155, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    129 LEU H 4.32 
 &rst iat= 2129, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU H  130 LYS HB3 4.64 
 &rst iat=  2129, 2153, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU H  131 LYS HG2 4.67 
 &rst iat=  2129, 2177, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU H  129 LEU HB2 3.64 
 &rst iat=  2129, 2133, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU H  129 LEU HG 4.37 
 &rst iat=  2129, 2136, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU 3HB 2HB    129 LEU H 3.07 
 &rst iat= -1, 2129, r1= 2.95, r2= 3.45, r3= 3.45, r4= 3.95,
 igr1= 2119, 2118,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU H  129 LEU HB3 3.64 
 &rst iat=  2129, 2134, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU 3HG 2HG    129 LEU H 4.49 
 &rst iat= -1, 2129, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 2122, 2121,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HD 2HD    129 LEU H 6.20 
 &rst iat= 2129, -1, r1= 6.46, r2= 6.96, r3= 6.96, r4= 7.46,
 igr1= 0,  igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU HA  129 LEU H 3.54 
 &rst iat=  2116, 2129, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HZ  129 LEU H 5.90 
 &rst iat=  1898, 2129, r1= 5.40, r2= 5.90,
 r3= 5.90, r4= 6.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    129 LEU H 5.14 
 &rst iat= -1, 2129, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    129 LEU H 4.79 
 &rst iat= -1, 2129, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU H  129 LEU H 3.04 
 &rst iat=  2114, 2129, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU H  130 LYS H 3.12 
 &rst iat=  2129, 2148, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS H  130 LYS HG2 3.91 
 &rst iat=  2148, 2155, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    130 LYS H 5.04 
 &rst iat= -1, 2148, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 2089, 2091, 2090,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS H  130 LYS HB3 3.21 
 &rst iat=  2148, 2153, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS 2HD 3HD    130 LYS H 3.99 
 &rst iat= 2148, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 2158, 2159,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS H  130 LYS HB2 3.60 
 &rst iat=  2148, 2152, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU HB2  130 LYS H 4.33 
 &rst iat=  2133, 2148, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU HG  130 LYS H 4.84 
 &rst iat=  2136, 2148, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU 3HB 2HB    130 LYS H 5.51 
 &rst iat= -1, 2148, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 2119, 2118,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU HB3  130 LYS H 4.33 
 &rst iat=  2134, 2148, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS 3HE 2HE    130 LYS H 4.92 
 &rst iat= 2148, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 2162, 2161,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU HA  130 LYS H 3.62 
 &rst iat=  2101, 2148, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU HA  130 LYS H 4.58 
 &rst iat=  2116, 2148, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    130 LYS H 4.14 
 &rst iat= -1, 2148, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    130 LYS H 4.96 
 &rst iat= -1, 2148, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS H  133 TYR H 5.17 
 &rst iat=  2148, 2216, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS H  132 ARG H 4.35 
 &rst iat=  2148, 2192, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HB3  131 LYS H 4.07 
 &rst iat=  2153, 2170, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS H  131 LYS HG3 3.53 
 &rst iat=  2170, 2178, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS H  131 LYS HG2 2.95 
 &rst iat=  2170, 2177, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS 2HD 3HD    131 LYS H 4.23 
 &rst iat= 2170, -1, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 0,  igr2= 2180, 2181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS 2HB 3HB    131 LYS H 2.76 
 &rst iat= 2170, -1, r1= 2.60, r2= 3.10, r3= 3.10, r4= 3.60,
 igr1= 0,  igr2= 2174, 2175,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU 3HG 2HG    131 LYS H 5.74 
 &rst iat= -1, 2170, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 2122, 2121,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS 2HE 3HE    131 LYS H 4.79 
 &rst iat= 2170, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 2183, 2184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU HA  131 LYS H 4.79 
 &rst iat=  2101, 2170, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU HA  131 LYS H 4.15 
 &rst iat=  2131, 2170, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU H  131 LYS H 4.11 
 &rst iat=  2129, 2170, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS H  131 LYS H 3.22 
 &rst iat=  2148, 2170, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG H  133 TYR H 3.14 
 &rst iat=  2192, 2216, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS H  132 ARG H 3.04 
 &rst iat=  2170, 2192, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG H  132 ARG HE 5.57 
 &rst iat=  2192, 2205, r1= 5.07, r2= 5.57,
 r3= 5.57, r4= 6.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU HA  132 ARG H 3.39 
 &rst iat=  2131, 2192, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HA  132 ARG H 4.50 
 &rst iat=  2150, 2192, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG H  132 ARG HB3 3.61 
 &rst iat=  2192, 2197, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG H  132 ARG HB2 3.61 
 &rst iat=  2192, 2196, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG H  132 ARG HG3 3.69 
 &rst iat=  2192, 2200, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS 2HB 3HB    132 ARG H 3.76 
 &rst iat= -1, 2192, r1= 3.72, r2= 4.22, r3= 4.22, r4= 4.72,
 igr1= 2174, 2175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG H  132 ARG HG2 3.69 
 &rst iat=  2192, 2199, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS 2HD 3HD    132 ARG H 4.62 
 &rst iat= -1, 2192, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 2180, 2181,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS HG2  132 ARG H 3.99 
 &rst iat=  2177, 2192, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS HG3  132 ARG H 4.34 
 &rst iat=  2178, 2192, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG HG2  132 ARG HE 3.87 
 &rst iat=  2199, 2205, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG HG3  132 ARG HE 3.87 
 &rst iat=  2200, 2205, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG HB2  132 ARG HE 4.70 
 &rst iat=  2196, 2205, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU HA  132 ARG HE 4.38 
 &rst iat=  2131, 2205, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR H  135 GLY H 4.11 
 &rst iat=  2216, 2244, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR H  134 GLY H 3.12 
 &rst iat=  2216, 2237, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS H  133 TYR H 4.33 
 &rst iat=  2170, 2216, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    133 TYR H 4.86 
 &rst iat= -1, 2216, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    133 TYR H 5.46 
 &rst iat= 2216, -1, r1= 5.63, r2= 6.13, r3= 6.13, r4= 6.63,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS HA  133 TYR H 4.37 
 &rst iat=  2172, 2216, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR H  134 GLY HA3 5.37 
 &rst iat=  2216, 2240, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR H  134 GLY HA2 5.37 
 &rst iat=  2216, 2239, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR H  133 TYR HB3 3.64 
 &rst iat=  2216, 2221, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG 3HD 2HD    133 TYR H 5.28 
 &rst iat= -1, 2216, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 2203, 2202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR H  133 TYR HB2 3.35 
 &rst iat=  2216, 2220, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HA  133 TYR H 3.95 
 &rst iat=  2150, 2216, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG HB3  133 TYR H 4.07 
 &rst iat=  2197, 2216, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG HB2  133 TYR H 4.07 
 &rst iat=  2196, 2216, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG HG3  133 TYR H 5.07 
 &rst iat=  2200, 2216, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS 2HB 3HB    133 TYR H 5.34 
 &rst iat= -1, 2216, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 2174, 2175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG HG2  133 TYR H 5.07 
 &rst iat=  2199, 2216, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    133 TYR H 5.09 
 &rst iat= -1, 2216, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 1829, 1828, 1827,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS HG3  133 TYR H 6.50 
 &rst iat=  2156, 2216, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    133 TYR H 4.56 
 &rst iat= -1, 2216, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    133 TYR H 4.60 
 &rst iat= -1, 2216, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    134 GLY H 5.13 
 &rst iat= -1, 2237, r1= 5.66, r2= 6.16, r3= 6.16, r4= 6.66,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    134 GLY H 4.42 
 &rst iat= -1, 2237, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS HG3  134 GLY H 6.02 
 &rst iat=  2178, 2237, r1= 5.52, r2= 6.02,
 r3= 6.02, r4= 6.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    134 GLY H 4.85 
 &rst iat= -1, 2237, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 1829, 1828, 1827,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS 2HB 3HB    134 GLY H 5.00 
 &rst iat= -1, 2237, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 2174, 2175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HB2  134 GLY H 4.13 
 &rst iat=  2220, 2237, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HB3  134 GLY H 3.96 
 &rst iat=  2221, 2237, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 GLY H  134 GLY HA2 2.95 
 &rst iat=  2237, 2239, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS HA  134 GLY H 3.58 
 &rst iat=  2172, 2237, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 GLY H  134 GLY HA3 2.95 
 &rst iat=  2237, 2240, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    134 GLY H 4.99 
 &rst iat= -1, 2237, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG H  134 GLY H 4.25 
 &rst iat=  2192, 2237, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS H  134 GLY H 5.05 
 &rst iat=  2170, 2237, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 GLY H  135 GLY H 2.75 
 &rst iat=  2237, 2244, r1= 2.25, r2= 2.75,
 r3= 2.75, r4= 3.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS H  135 GLY H 4.69 
 &rst iat=  2170, 2244, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS HA  135 GLY H 2.97 
 &rst iat=  2172, 2244, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HB2  135 GLY H 5.47 
 &rst iat=  2220, 2244, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HA  135 GLY H 5.47 
 &rst iat=  2150, 2244, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS 2HB 3HB    135 GLY H 4.01 
 &rst iat= -1, 2244, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 2174, 2175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS HG3  135 GLY H 5.28 
 &rst iat=  2178, 2244, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HG3  135 GLY H 5.01 
 &rst iat=  2156, 2244, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    135 GLY H 5.10 
 &rst iat= -1, 2244, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    135 GLY H 6.18 
 &rst iat= -1, 2244, r1= 6.92, r2= 7.42, r3= 7.42, r4= 7.92,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 SER HA  33 PRO HG3 4.90 
 &rst iat=  484, 498, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HA  33 PRO HG2 4.27 
 &rst iat=  484, 497, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HA  34 ASP HB3 4.73 
 &rst iat=  484, 512, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HA  33 PRO HD3 3.36 
 &rst iat=  484, 495, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HA  33 PRO HD2 3.58 
 &rst iat=  484, 494, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER 3HB 2HB    52 PHE HA 4.65 
 &rst iat= -1, 828, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 269, 268,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN HA  51 LEU HA 3.91 
 &rst iat=  252, 809, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HA  78 PRO HD3 3.64 
 &rst iat=  1261, 1283, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HA  78 PRO HD2 3.54 
 &rst iat=  1261, 1282, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN HA  117 ASP HB2 3.74 
 &rst iat=  1908, 1960, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    114 ASN HA 3.01 
 &rst iat= 1908, -1, r1= 2.88, r2= 3.38, r3= 3.38, r4= 3.88,
 igr1= 0,  igr2= 1911, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    123 ASP HA 4.39 
 &rst iat= 2051, -1, r1= 4.77, r2= 5.27, r3= 5.27, r4= 5.77,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    12 LEU HA 4.73 
 &rst iat= 162, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU HA  13 PRO HD3 3.64 
 &rst iat=  162, 181, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU HA  13 PRO HD2 3.64 
 &rst iat=  162, 180, r1= 3.14, r2= 3.64,
 r3= 3.64, r4= 4.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    12 LEU HA 4.01 
 &rst iat= 162, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 170, 169, 171,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ARG 3HB 2HB    55 ASN HA 3.91 
 &rst iat= 887, -1, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 0,  igr2= 1557, 1556,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 LYS 3HB 2HB    55 ASN HA 4.31 
 &rst iat= 887, -1, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 0,  igr2= 1535, 1534,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ARG 3HD 2HD    55 ASN HA 4.76 
 &rst iat= 887, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 0,  igr2= 1563, 1562,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN HA  56 LEU H 3.37 
 &rst iat=  887, 899, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    10 THR HA 2.77 
 &rst iat= 132, -1, r1= 2.83, r2= 3.33, r3= 3.33, r4= 3.83,
 igr1= 0,  igr2= 136, 137, 138,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR HA  11 VAL HB 4.80 
 &rst iat=  132, 148, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET 1HE 3HE 2HE    10 THR HA 5.09 
 &rst iat= 132, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 0,  igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 THR HA  9 THR HB 2.89 
 &rst iat=  118, 120, r1= 2.39, r2= 2.89,
 r3= 2.89, r4= 3.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL 3HG2 1HG2 2HG2    11 VAL HA 3.33 
 &rst iat= 146, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 156, 154, 155,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 VAL H  11 VAL HB 3.62 
 &rst iat=  144, 148, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL 3HG2 1HG2 2HG2    11 VAL H 4.06 
 &rst iat= 144, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 156, 154, 155,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 VAL HA  12 LEU HB3 5.99 
 &rst iat=  146, 165, r1= 5.49, r2= 5.99,
 r3= 5.99, r4= 6.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    12 LEU HB3 3.78 
 &rst iat= 165, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 170, 169, 171,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    12 LEU HB2 3.63 
 &rst iat= 164, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 170, 169, 171,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    39 TYR HA 4.25 
 &rst iat= -1, 595, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 170, 169, 171,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    42 GLN HE21 6.26 
 &rst iat= -1, 667, r1= 7.02, r2= 7.52, r3= 7.52, r4= 8.02,
 igr1= 170, 169, 171,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    12 LEU HA 4.01 
 &rst iat= 162, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 174, 173, 175,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    39 TYR HA 4.25 
 &rst iat= -1, 595, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 174, 173, 175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    12 LEU HB3 3.78 
 &rst iat= 165, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 174, 173, 175,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    12 LEU HB2 3.63 
 &rst iat= 164, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 174, 173, 175,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 PRO 2HD 3HD    13 PRO HA 3.34 
 &rst iat= 189, -1, r1= 3.25, r2= 3.75, r3= 3.75, r4= 4.25,
 igr1= 0,  igr2= 194, 195,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO HB2  28 GLN HE22 4.81 
 &rst iat=  186, 426, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 PRO HB3  28 GLN HE22 4.81 
 &rst iat=  187, 426, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 PRO 2HD 3HD    13 PRO HB3 4.36 
 &rst iat= 187, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 194, 195,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    14 PRO HA 4.89 
 &rst iat= 203, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 220, 221, 222,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    14 PRO HA 5.55 
 &rst iat= 203, -1, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 PRO HA  42 GLN HE22 3.99 
 &rst iat=  203, 668, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 PRO 2HD 3HD    13 PRO HB2 4.36 
 &rst iat= 186, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 194, 195,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 PRO HB2  15 ILE HB 5.07 
 &rst iat=  200, 211, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN 3HB 2HB    15 ILE HB 5.52 
 &rst iat= 211, -1, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 0,  igr2= 660, 659,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    15 ILE HG12 3.97 
 &rst iat= -1, 217, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    15 ILE HG13 3.39 
 &rst iat= -1, 218, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HA  21 GLN HB3 4.32 
 &rst iat=  236, 300, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    16 PRO HA 4.12 
 &rst iat= 236, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    17 ALA HA 4.78 
 &rst iat= -1, 242, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    18 ASN HD21 4.28 
 &rst iat= -1, 259, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 244, 246, 245,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    88 LEU HA 5.62 
 &rst iat= -1, 1468, r1= 5.81, r2= 6.31, r3= 6.31, r4= 6.81,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 GLN HA  24 SER H 4.31 
 &rst iat=  297, 346, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    21 GLN HA 3.68 
 &rst iat= 297, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HG3  22 LEU HA 4.37 
 &rst iat=  231, 314, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB3  22 LEU HA 4.52 
 &rst iat=  234, 314, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HA  22 LEU HG 3.76 
 &rst iat=  314, 319, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HA  25 ASP HB2 4.72 
 &rst iat=  314, 361, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HB2  23 GLU H 5.30 
 &rst iat=  316, 331, r1= 4.80, r2= 5.30,
 r3= 5.30, r4= 5.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    22 LEU HB2 4.09 
 &rst iat= 316, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 322, 321, 323,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    19 SER HA 4.97 
 &rst iat= 266, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 322, 321, 323,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    39 TYR HE2 HE1  4.92  
 &rst iat= -1, -1, r1= 6.13, r2= 6.63, r3= 6.63, r4= 7.13,
 igr1= 322, 321, 323,   igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    22 LEU HB3 3.86 
 &rst iat= 317, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 0,  igr2= 326, 325, 327,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    16 PRO HG3 4.86 
 &rst iat= 231, -1, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 0,  igr2= 326, 325, 327,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    19 SER HA 4.97 
 &rst iat= 266, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 326, 325, 327,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    23 GLU HA 4.66 
 &rst iat= 333, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLU HA  23 GLU HG2 3.88 
 &rst iat=  333, 338, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HA  26 PHE HB3 4.31 
 &rst iat=  333, 374, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU HA  26 PHE HB2 4.01 
 &rst iat=  333, 373, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    23 GLU HA 4.75 
 &rst iat= 333, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    23 GLU HG2 4.90 
 &rst iat= 338, -1, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLU H  23 GLU HG3 4.51 
 &rst iat=  331, 339, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    23 GLU HG3 5.06 
 &rst iat= 339, -1, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    25 ASP HB3 5.27 
 &rst iat= 362, -1, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    25 ASP HB3 5.16 
 &rst iat= 362, -1, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HA  29 LEU HB3 5.26 
 &rst iat=  371, 435, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HA  28 GLN HG3 3.87 
 &rst iat=  415, 421, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HG3  29 LEU H 4.11 
 &rst iat=  421, 430, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HA  28 GLN HG2 3.87 
 &rst iat=  415, 420, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU HA  29 LEU HG 3.99 
 &rst iat=  432, 437, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU HA  32 SER HB2 4.53 
 &rst iat=  432, 486, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    29 LEU HB2 3.91 
 &rst iat= 434, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    29 LEU HB3 3.73 
 &rst iat= 435, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    36 LEU HA 3.96 
 &rst iat= -1, 538, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    25 ASP HA 4.45 
 &rst iat= 359, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    39 TYR HD1 HD2  3.93  
 &rst iat= -1, -1, r1= 4.22, r2= 4.72, r3= 9.12, r4= 9.62,
 igr1= 441, 439, 440,   igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    29 LEU H 4.02 
 &rst iat= 430, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    29 LEU H 3.51 
 &rst iat= 430, -1, r1= 3.72, r2= 4.22, r3= 4.22, r4= 4.72,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    29 LEU HA 2.79 
 &rst iat= 432, -1, r1= 2.85, r2= 3.35, r3= 3.35, r4= 3.85,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    32 SER HB3 4.24 
 &rst iat= -1, 487, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    32 SER HB2 3.87 
 &rst iat= -1, 486, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    35 MET HB2 4.23 
 &rst iat= -1, 523, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    28 GLN HG3 3.87 
 &rst iat= 421, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    28 GLN HG2 3.87 
 &rst iat= 420, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    35 MET HG3 3.39 
 &rst iat= -1, 527, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    29 LEU HB3 3.26 
 &rst iat= 435, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    29 LEU HB2 3.27 
 &rst iat= 434, -1, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    30 LYS HA 4.35 
 &rst iat= 451, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 LYS HA  30 LYS HG2 4.01 
 &rst iat=  451, 456, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HA  30 LYS HG3 4.01 
 &rst iat=  451, 457, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS 2HD 3HD    30 LYS HA 4.56 
 &rst iat= 451, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 459, 460,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU HA  86 GLN HB2 3.65 
 &rst iat=  1374, 1429, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HA  30 LYS HB3 3.01 
 &rst iat=  451, 454, r1= 2.51, r2= 3.01,
 r3= 3.01, r4= 3.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER HA  33 PRO HD3 4.35 
 &rst iat=  473, 495, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  35 MET HG2 4.42 
 &rst iat=  486, 526, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  35 MET HG3 4.25 
 &rst iat=  486, 527, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  35 MET HB3 4.81 
 &rst iat=  486, 524, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  35 MET HB2 5.04 
 &rst iat=  486, 523, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 SER H  32 SER HB2 5.72 
 &rst iat=  471, 486, r1= 5.22, r2= 5.72,
 r3= 5.72, r4= 6.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  36 LEU H 5.90 
 &rst iat=  486, 536, r1= 5.40, r2= 5.90,
 r3= 5.90, r4= 6.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HA  36 LEU HB3 4.12 
 &rst iat=  503, 541, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HA  36 LEU HB2 4.00 
 &rst iat=  503, 540, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HD2 HD1    58 PRO HA 4.93 
 &rst iat= 940, -1, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 0,  igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO HA  97 ALA H 5.42 
 &rst iat=  940, 1625, r1= 4.92, r2= 5.42,
 r3= 5.42, r4= 5.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HB3  71 PHE HZ 5.12 
 &rst iat=  501, 1159, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HB3  63 GLN HE22 4.78 
 &rst iat=  501, 1019, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    33 PRO HB3 5.04 
 &rst iat= 501, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 ASP HA  37 TYR H 4.41 
 &rst iat=  509, 555, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    34 ASP HA 4.35 
 &rst iat= 509, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 ASP HA  37 TYR HB3 4.47 
 &rst iat=  509, 560, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    34 ASP HB2 4.60 
 &rst iat= 511, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 ASP HB2  35 MET H 4.11 
 &rst iat=  511, 519, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP HB3  71 PHE HZ 4.67 
 &rst iat=  512, 1159, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    34 ASP HB3 5.05 
 &rst iat= 512, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 MET HA  35 MET HG3 4.10 
 &rst iat=  521, 527, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET HA  38 GLN HG2 4.40 
 &rst iat=  521, 583, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET HA  35 MET HG2 3.70 
 &rst iat=  521, 526, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    35 MET HB3 4.84 
 &rst iat= -1, 524, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 445, 443, 444,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 MET 1HE 3HE 2HE    35 MET HB3 4.04 
 &rst iat= 524, -1, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 0,  igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 MET 1HE 3HE 2HE    35 MET HB2 3.61 
 &rst iat= 523, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 MET HB2  36 LEU HA 4.70 
 &rst iat=  523, 538, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET 1HE 3HE 2HE    11 VAL H 3.42 
 &rst iat= 144, -1, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 0,  igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET 2HE 1HE 3HE    96 MET H 3.11 
 &rst iat= 1608, -1, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 0,  igr2= 1620, 1619, 1621,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  35 MET 1HE 3HE 2HE    12 LEU HA 3.32 
 &rst iat= 162, -1, r1= 3.49, r2= 3.99, r3= 3.99, r4= 4.49,
 igr1= 0,  igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    35 MET 1HE 3HE 2HE  2.68  
 &rst iat= -1, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 445, 443, 444,   igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    36 LEU HA 4.37 
 &rst iat= 538, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    36 LEU HB3 4.82 
 &rst iat= 541, -1, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    67 ILE 3HD1 1HD1 2HD1  3.96  
 &rst iat= -1, -1, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 550, 549, 551,   igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    29 LEU HB2 3.14 
 &rst iat= 434, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    36 LEU HB3 3.23 
 &rst iat= 541, -1, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    36 LEU HB2 3.55 
 &rst iat= 540, -1, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    36 LEU HA 3.18 
 &rst iat= 538, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    26 PHE HA 3.19 
 &rst iat= 371, -1, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    33 PRO HA 4.22 
 &rst iat= 503, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    36 LEU 2HD2 1HD2 3HD2  4.13  
 &rst iat= -1, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 383, 379,   igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    36 LEU 2HD2 1HD2 3HD2  3.54  
 &rst iat= -1, -1, r1= 3.75, r2= 4.25, r3= 8.65, r4= 9.15,
 igr1= 377, 385,   igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    36 LEU H 4.02 
 &rst iat= 536, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    29 LEU H 4.08 
 &rst iat= 430, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    36 LEU 3HD1 2HD1 1HD1  4.84  
 &rst iat= -1, -1, r1= 5.31, r2= 5.81, r3= 10.21, r4= 10.71,
 igr1= 377, 385,   igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    30 LYS HA 3.35 
 &rst iat= 451, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    36 LEU HB2 3.65 
 &rst iat= 540, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    67 ILE HG12 3.89 
 &rst iat= -1, 1090, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 547, 546, 545,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    36 LEU HB3 3.50 
 &rst iat= 541, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    37 TYR HA 3.65 
 &rst iat= 557, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 GLN HA  41 LYS HG2 4.53 
 &rst iat=  578, 640, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HA  41 LYS HG3 4.53 
 &rst iat=  578, 641, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HA  41 LYS HB2 4.29 
 &rst iat=  578, 637, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HA  41 LYS HB3 4.29 
 &rst iat=  578, 638, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HA  38 GLN HG2 3.61 
 &rst iat=  578, 583, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HA  38 GLN HG3 3.84 
 &rst iat=  578, 584, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HA  38 GLN HA 5.09 
 &rst iat=  557, 578, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HA  42 GLN HG3 5.19 
 &rst iat=  595, 663, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HA  42 GLN HG2 5.19 
 &rst iat=  595, 662, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN HB2  39 TYR HA 4.62 
 &rst iat=  580, 595, r1= 4.12, r2= 4.62,
 r3= 4.62, r4= 5.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN 3HB 2HB    39 TYR HA 4.83 
 &rst iat= 595, -1, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 0,  igr2= 660, 659,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HA  43 ILE HG13 4.99 
 &rst iat=  595, 683, r1= 4.49, r2= 4.99,
 r3= 4.99, r4= 5.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU HA  43 ILE HG13 4.27 
 &rst iat=  616, 683, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU 3HD2 2HD2 1HD2    88 LEU HA 4.54 
 &rst iat= 1468, -1, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 0,  igr2= 1481, 1480, 1479,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    40 LEU 3HD1 1HD1 2HD1  4.38  
 &rst iat= -1, -1, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 383, 379,   igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD1 1HD1 2HD1    40 LEU HB2 3.52 
 &rst iat= 618, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD1 1HD1 2HD1    40 LEU HB3 3.52 
 &rst iat= 619, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD1 1HD1 2HD1    40 LEU HA 4.07 
 &rst iat= 616, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD2 1HD2 2HD2    40 LEU HB2 3.52 
 &rst iat= 618, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD2 1HD2 2HD2    40 LEU HB3 3.52 
 &rst iat= 619, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD2 1HD2 2HD2    40 LEU HA 4.07 
 &rst iat= 616, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    40 LEU 3HD2 1HD2 2HD2  4.38  
 &rst iat= -1, -1, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 383, 379,   igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    40 LEU 3HD2 1HD2 2HD2  5.75  
 &rst iat= -1, -1, r1= 6.41, r2= 6.91, r3= 11.31, r4= 11.81,
 igr1= 377, 385,   igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS HA  41 LYS HD2 4.83 
 &rst iat=  635, 643, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS HA  41 LYS HD3 4.83 
 &rst iat=  635, 644, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS 2HE 3HE    41 LYS HA 4.53 
 &rst iat= 635, -1, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 0,  igr2= 646, 647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN HA  42 GLN HG2 3.85 
 &rst iat=  657, 662, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 GLN HA  42 GLN HG3 3.85 
 &rst iat=  657, 663, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    42 GLN HA 4.23 
 &rst iat= -1, 657, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 220, 221, 222,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HB 2HB    15 ILE HG12 4.52 
 &rst iat= 217, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 660, 659,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    43 ILE HA 4.13 
 &rst iat= -1, 674, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE HA  44 GLU HB3 4.88 
 &rst iat=  674, 696, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU 3HG 2HG    43 ILE HA 5.97 
 &rst iat= 674, -1, r1= 6.20, r2= 6.70, r3= 6.70, r4= 7.20,
 igr1= 0,  igr2= 699, 698,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    43 ILE 2HD1 1HD1 3HD1  2.87  
 &rst iat= -1, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 679, 678, 680,   igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    16 PRO HG2 4.21 
 &rst iat= 230, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    40 LEU HG 4.61 
 &rst iat= 621, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    43 ILE HB 3.43 
 &rst iat= 676, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    16 PRO HG3 3.82 
 &rst iat= 231, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    16 PRO HD2 4.01 
 &rst iat= 227, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    16 PRO HD3 4.01 
 &rst iat= 228, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    43 ILE HA 3.90 
 &rst iat= 674, -1, r1= 4.18, r2= 4.68, r3= 4.68, r4= 5.18,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    26 PHE HZ 5.24 
 &rst iat= 381, -1, r1= 5.79, r2= 6.29, r3= 6.29, r4= 6.79,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    39 TYR H 6.01 
 &rst iat= 593, -1, r1= 6.72, r2= 7.22, r3= 7.22, r4= 7.72,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    44 GLU H 6.32 
 &rst iat= -1, 691, r1= 7.09, r2= 7.59, r3= 7.59, r4= 8.09,
 igr1= 686, 685, 687,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    43 ILE H 4.05 
 &rst iat= 672, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 679, 678, 680,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    48 TYR HE2 HE1  3.36  
 &rst iat= -1, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 679, 678, 680,   igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    43 ILE HG12 3.06 
 &rst iat= -1, 682, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    47 LEU HB3 4.14 
 &rst iat= -1, 736, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    43 ILE HG13 3.46 
 &rst iat= -1, 683, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    47 LEU HB2 3.49 
 &rst iat= -1, 735, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    43 ILE HA 3.30 
 &rst iat= 674, -1, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 0,  igr2= 679, 678, 680,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    48 TYR HA 4.69 
 &rst iat= -1, 752, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU HA  45 PRO HD3 3.30 
 &rst iat=  693, 708, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU HA  45 PRO HD2 3.33 
 &rst iat=  693, 707, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU 3HG 2HG    44 GLU HA 3.55 
 &rst iat= 693, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 699, 698,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU 3HG 2HG    45 PRO HA 4.78 
 &rst iat= -1, 716, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 699, 698,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    45 PRO HA 4.48 
 &rst iat= 716, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    45 PRO HA 4.73 
 &rst iat= -1, 716, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU 3HG 2HG    45 PRO HD3 4.75 
 &rst iat= -1, 708, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 699, 698,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU HB2  45 PRO HD2 4.21 
 &rst iat=  695, 707, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER HA  48 TYR H 4.74 
 &rst iat=  722, 750, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU HA  47 LEU HG 3.92 
 &rst iat=  733, 738, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU 3HD2 1HD2 2HD2    47 LEU HB2 3.65 
 &rst iat= 735, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 746, 744, 745,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU 3HD2 1HD2 2HD2    47 LEU HB3 3.31 
 &rst iat= 736, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 746, 744, 745,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    23 GLU H 4.13 
 &rst iat= 331, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU 3HD1 1HD1 2HD1    47 LEU HA 3.99 
 &rst iat= 733, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 742, 740, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU 3HD1 1HD1 2HD1    47 LEU HB2 3.65 
 &rst iat= 735, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 742, 740, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU 3HD1 1HD1 2HD1    47 LEU HB3 3.31 
 &rst iat= 736, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 742, 740, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HA  51 LEU HB2 4.20 
 &rst iat=  752, 811, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    48 TYR HA 4.00 
 &rst iat= 752, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HA  51 LEU H 4.37 
 &rst iat=  752, 807, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HB3  49 PRO HD2 5.14 
 &rst iat=  755, 772, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    48 TYR HB2 5.71 
 &rst iat= 754, -1, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    48 TYR HB2 5.53 
 &rst iat= 754, -1, r1= 6.14, r2= 6.64, r3= 6.64, r4= 7.14,
 igr1= 0,  igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    48 TYR HB2 5.85 
 &rst iat= 754, -1, r1= 6.53, r2= 7.03, r3= 7.03, r4= 7.53,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HB2  49 PRO HD3 4.59 
 &rst iat=  754, 773, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HB2  49 PRO HD2 4.54 
 &rst iat=  754, 772, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU HA  51 LEU HG 4.08 
 &rst iat=  809, 814, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS 2HB 3HB    51 LEU HA 4.82 
 &rst iat= -1, 809, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 789, 790,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HA  51 LEU HB3 5.52 
 &rst iat=  752, 812, r1= 5.02, r2= 5.52,
 r3= 5.52, r4= 6.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    17 ALA H 4.16 
 &rst iat= 240, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    17 ALA HA 3.67 
 &rst iat= 242, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    51 LEU HA 2.89 
 &rst iat= 809, -1, r1= 2.97, r2= 3.47, r3= 3.47, r4= 3.97,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    16 PRO HG2 3.46 
 &rst iat= 230, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    22 LEU HB2 3.61 
 &rst iat= 316, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    51 LEU HB3 2.99 
 &rst iat= 812, -1, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    51 LEU HB2 3.49 
 &rst iat= 811, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    50 LYS HA 3.26 
 &rst iat= 787, -1, r1= 3.16, r2= 3.66, r3= 3.66, r4= 4.16,
 igr1= 0,  igr2= 851, 850,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HG 2HG    53 GLN HA 3.48 
 &rst iat= 848, -1, r1= 3.41, r2= 3.91, r3= 3.91, r4= 4.41,
 igr1= 0,  igr2= 854, 853,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS 2HD 3HD    54 LYS HA 3.74 
 &rst iat= 865, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 873, 874,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS 2HE 3HE    54 LYS HA 4.59 
 &rst iat= 865, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 876, 877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    61 PHE HB2 6.06 
 &rst iat= -1, 976, r1= 6.78, r2= 7.28, r3= 7.28, r4= 7.78,
 igr1= 910, 909, 908,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    61 PHE HB3 6.06 
 &rst iat= -1, 977, r1= 6.78, r2= 7.28, r3= 7.28, r4= 7.78,
 igr1= 910, 909, 908,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    56 LEU HA 4.33 
 &rst iat= 901, -1, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 0,  igr2= 910, 909, 908,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    56 LEU H 4.73 
 &rst iat= 899, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 910, 909, 908,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 ASP HB2  60 VAL HB 4.86 
 &rst iat=  922, 960, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HB3  60 VAL HB 4.63 
 &rst iat=  923, 960, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET 2HG 3HG    96 MET HB2 3.00 
 &rst iat= 1612, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 1615, 1616,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  100 PHE HD1 HD2    58 PRO HG3 4.72 
 &rst iat= 935, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 1676, 1684,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 ASP HA  58 PRO HD2 4.09 
 &rst iat=  920, 931, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HA  58 PRO HD3 4.09 
 &rst iat=  920, 932, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 ASP HA  62 ASN HD22 4.33 
 &rst iat=  946, 1002, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL HA  63 GLN HB2 4.22 
 &rst iat=  958, 1010, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL HA  63 GLN HB3 4.31 
 &rst iat=  958, 1011, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL HA  64 ILE HG13 4.79 
 &rst iat=  958, 1034, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    60 VAL HA 3.44 
 &rst iat= 958, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    60 VAL HA 3.31 
 &rst iat= 958, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    23 GLU HA 3.15 
 &rst iat= 333, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    61 PHE HA 3.62 
 &rst iat= 974, -1, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HA  64 ILE HB 4.18 
 &rst iat=  974, 1027, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN HA  65 VAL HB 3.83 
 &rst iat=  994, 1046, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN 2HG 3HG    63 GLN HA 3.40 
 &rst iat= 1008, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HG 2HG    63 GLN HA 4.85 
 &rst iat= 1008, -1, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 0,  igr2= 1066, 1065,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS HG3  132 ARG HA 5.08 
 &rst iat=  2178, 2194, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN 2HG 3HG    60 VAL HA 4.60 
 &rst iat= 958, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 0,  igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD2 1HD2 2HD2    64 ILE HA 4.09 
 &rst iat= -1, 1025, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 629, 627, 628,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE HA  64 ILE HG13 4.06 
 &rst iat=  1025, 1034, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HA  67 ILE HB 3.98 
 &rst iat=  1025, 1084, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    64 ILE HA 5.26 
 &rst iat= -1, 1025, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    64 ILE HG12 6.50 
 &rst iat= -1, 1033, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    15 ILE HA 3.29 
 &rst iat= 209, -1, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 0,  igr2= 213, 215, 214,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    64 ILE HA 3.18 
 &rst iat= 1025, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 1031, 1030, 1029,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    16 PRO HD2 3.99 
 &rst iat= -1, 227, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    16 PRO HG3 4.08 
 &rst iat= -1, 231, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    43 ILE HG13 4.04 
 &rst iat= -1, 683, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    68 LEU HG 4.40 
 &rst iat= -1, 1106, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    44 GLU H 4.46 
 &rst iat= -1, 691, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 220, 221, 222,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    15 ILE HA 3.89 
 &rst iat= 209, -1, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 0,  igr2= 220, 221, 222,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    42 GLN 3HB 2HB  3.51  
 &rst iat= -1, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 220, 221, 222,   igr2= 660, 659,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    64 ILE 3HD1 2HD1 1HD1  3.09  
 &rst iat= -1, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 963, 962, 964,   igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    64 ILE HB 3.46 
 &rst iat= 1027, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    64 ILE HA 4.10 
 &rst iat= 1025, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    26 PHE HZ 4.64 
 &rst iat= 381, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    64 ILE 3HD1 2HD1 1HD1  4.31  
 &rst iat= -1, -1, r1= 4.68, r2= 5.18, r3= 9.58, r4= 10.08,
 igr1= 842, 834,   igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL HA  66 LYS HA 4.90 
 &rst iat=  1044, 1060, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL HA  68 LEU HB3 4.61 
 &rst iat=  1044, 1104, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL HA  68 LEU HG 5.06 
 &rst iat=  1044, 1106, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL HA  68 LEU HB2 4.61 
 &rst iat=  1044, 1103, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    65 VAL HA 3.81 
 &rst iat= -1, 1044, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    65 VAL 3HG2 1HG2 2HG2  3.34  
 &rst iat= -1, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 1031, 1030, 1029,   igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    101 MET 1HE 3HE 2HE  4.29  
 &rst iat= -1, -1, r1= 5.69, r2= 6.19, r3= 6.19, r4= 6.69,
 igr1= 1054, 1052, 1053,   igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    65 VAL HA 3.22 
 &rst iat= 1044, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 0,  igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    62 ASN HA 3.69 
 &rst iat= 994, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 0,  igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    66 LYS H 3.80 
 &rst iat= -1, 1058, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 1054, 1052, 1053,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    112 LEU 1HD1 3HD1 2HD1  3.03  
 &rst iat= -1, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 1048, 1049, 1050,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    109 ALA 3HB 2HB 1HB  3.40  
 &rst iat= -1, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 1048, 1049, 1050,   igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    65 VAL HA 3.35 
 &rst iat= 1044, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 1048, 1049, 1050,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    109 ALA HA 3.47 
 &rst iat= -1, 1825, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    62 ASN HA 4.56 
 &rst iat= 994, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 1048, 1049, 1050,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    133 TYR HD2 HD1  4.75  
 &rst iat= -1, -1, r1= 5.20, r2= 5.70, r3= 10.10, r4= 10.60,
 igr1= 1048, 1049, 1050,   igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    133 TYR HE1 HE2  5.28  
 &rst iat= -1, -1, r1= 6.62, r2= 7.12, r3= 7.12, r4= 7.62,
 igr1= 1048, 1049, 1050,   igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    66 LYS H 3.85 
 &rst iat= -1, 1058, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    85 LEU 3HD1 2HD1 1HD1  4.50  
 &rst iat= -1, -1, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 1048, 1049, 1050,   igr2= 1417, 1416, 1415,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HG 2HG    66 LYS HA 3.47 
 &rst iat= 1060, -1, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 0,  igr2= 1066, 1065,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HD 2HD    66 LYS HA 3.81 
 &rst iat= 1060, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1069, 1068,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS HA  69 HID H 4.25 
 &rst iat=  1060, 1118, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS 3HG 2HG    67 ILE H 5.58 
 &rst iat= -1, 1080, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 1066, 1065,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE HA  71 PHE HB2 4.58 
 &rst iat=  1082, 1151, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE HA  70 ASP H 4.83 
 &rst iat=  1082, 1135, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE HG13  68 LEU H 5.45 
 &rst iat=  1091, 1099, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    67 ILE HG13 4.17 
 &rst iat= -1, 1091, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    67 ILE HG12 3.64 
 &rst iat= -1, 1090, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    37 TYR HB2 3.86 
 &rst iat= 559, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    71 PHE HB2 4.14 
 &rst iat= -1, 1151, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    67 ILE HA 3.22 
 &rst iat= 1082, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    71 PHE HD1 HD2  3.36  
 &rst iat= -1, -1, r1= 3.54, r2= 4.04, r3= 8.44, r4= 8.94,
 igr1= 1086, 1088, 1087,   igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    67 ILE 3HD1 1HD1 2HD1  3.38  
 &rst iat= -1, -1, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 547, 546, 545,   igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    67 ILE 3HD1 1HD1 2HD1  2.94  
 &rst iat= -1, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 1086, 1088, 1087,   igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    36 LEU HB3 3.39 
 &rst iat= 541, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    36 LEU HB2 3.56 
 &rst iat= 540, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    67 ILE HB 3.34 
 &rst iat= 1084, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    33 PRO HB3 4.01 
 &rst iat= 501, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    67 ILE HA 3.06 
 &rst iat= 1082, -1, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    71 PHE HD1 HD2  3.42  
 &rst iat= -1, -1, r1= 3.61, r2= 4.11, r3= 8.51, r4= 9.01,
 igr1= 1095, 1093, 1094,   igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    71 PHE HZ 4.62 
 &rst iat= -1, 1159, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 1095, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    63 GLN HE22 3.62 
 &rst iat= 1019, -1, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    71 PHE HE2 HE1  3.95  
 &rst iat= -1, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 1095, 1093, 1094,   igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    68 LEU 1HD2 3HD2 2HD2  3.90  
 &rst iat= -1, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 1031, 1030, 1029,   igr2= 1112, 1114, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    68 LEU HB2 3.78 
 &rst iat= 1103, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 1112, 1114, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    68 LEU HB3 3.78 
 &rst iat= 1104, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 1112, 1114, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    68 LEU HA 4.40 
 &rst iat= 1101, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 0,  igr2= 1112, 1114, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    68 LEU HA 4.40 
 &rst iat= 1101, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 0,  igr2= 1108, 1110, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    65 VAL HA 4.91 
 &rst iat= 1044, -1, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 0,  igr2= 1108, 1110, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    68 LEU HB3 3.78 
 &rst iat= 1104, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 1108, 1110, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    68 LEU HB2 3.78 
 &rst iat= 1103, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 1108, 1110, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU 2HB 3HB    71 PHE HA 4.28 
 &rst iat= 1149, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 1211, 1212,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HA  76 GLU HB2 3.51 
 &rst iat=  1169, 1248, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL HA  12 LEU HB2 4.78 
 &rst iat=  146, 164, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HA  73 ILE HA 5.43 
 &rst iat=  1169, 1190, r1= 4.93, r2= 5.43,
 r3= 5.43, r4= 5.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE HA  74 GLU HA 5.78 
 &rst iat=  1190, 1209, r1= 5.28, r2= 5.78,
 r3= 5.78, r4= 6.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    73 ILE 3HD1 1HD1 2HD1  2.81  
 &rst iat= -1, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 1194, 1195, 1196,   igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    73 ILE HG13 3.55 
 &rst iat= -1, 1199, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    74 GLU 2HB 3HB  4.51  
 &rst iat= -1, -1, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 1194, 1195, 1196,   igr2= 1211, 1212,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    81 ILE 1HD1 3HD1 2HD1  3.89  
 &rst iat= -1, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 1194, 1195, 1196,   igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    74 GLU HG2 4.67 
 &rst iat= -1, 1214, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    74 GLU HG3 4.67 
 &rst iat= -1, 1215, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    73 ILE HA 3.40 
 &rst iat= 1190, -1, r1= 3.58, r2= 4.08, r3= 4.08, r4= 4.58,
 igr1= 0,  igr2= 1194, 1195, 1196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    115 HID HB2 4.34 
 &rst iat= -1, 1924, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    115 HID HB3 4.48 
 &rst iat= -1, 1925, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    74 GLU HA 3.68 
 &rst iat= -1, 1209, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    74 GLU H 3.59 
 &rst iat= -1, 1207, r1= 3.81, r2= 4.31, r3= 4.31, r4= 4.81,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    73 ILE HB 3.32 
 &rst iat= 1192, -1, r1= 3.49, r2= 3.99, r3= 3.99, r4= 4.49,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    73 ILE HA 3.87 
 &rst iat= 1190, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    115 HID HB2 4.00 
 &rst iat= -1, 1924, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    115 HID HB3 4.01 
 &rst iat= -1, 1925, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    69 HID HA 3.28 
 &rst iat= 1120, -1, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    112 LEU HA 3.55 
 &rst iat= -1, 1869, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU 2HB 3HB    74 GLU HA 2.86 
 &rst iat= 1209, -1, r1= 2.71, r2= 3.21, r3= 3.21, r4= 3.71,
 igr1= 0,  igr2= 1211, 1212,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU HA  74 GLU HG2 3.84 
 &rst iat=  1209, 1214, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU HA  74 GLU HG3 3.84 
 &rst iat=  1209, 1215, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LYS 3HG 2HG    75 LYS HA 3.19 
 &rst iat= 1224, -1, r1= 3.08, r2= 3.58, r3= 3.58, r4= 4.08,
 igr1= 0,  igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    117 ASP HA 5.18 
 &rst iat= 1958, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    117 ASP HA 5.53 
 &rst iat= 1958, -1, r1= 6.14, r2= 6.64, r3= 6.64, r4= 7.14,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    117 ASP HA 4.30 
 &rst iat= -1, 1958, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    117 ASP HA 4.21 
 &rst iat= 1958, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    75 LYS HE2 4.03 
 &rst iat= -1, 1235, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 1230, 1229,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    78 PRO HA 5.05 
 &rst iat= 1291, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    78 PRO HA 5.38 
 &rst iat= 1291, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    78 PRO HA 3.50 
 &rst iat= 1291, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO HA  82 PHE H 4.74 
 &rst iat=  1291, 1352, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    78 PRO HB3 4.57 
 &rst iat= 1289, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    78 PRO HB2 5.60 
 &rst iat= 1288, -1, r1= 6.23, r2= 6.73, r3= 6.73, r4= 7.23,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS HB2  78 PRO HD2 4.29 
 &rst iat=  1263, 1282, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HB2  78 PRO HD3 4.51 
 &rst iat=  1263, 1283, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU 3HB 2HB    78 PRO HD2 5.00 
 &rst iat= 1282, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 0,  igr2= 1300, 1299,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU HA  82 PHE HB3 4.06 
 &rst iat=  1297, 1357, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU 1HD1 2HD1 3HD1    79 LEU HA 3.84 
 &rst iat= 1297, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 1304, 1305, 1306,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU HB3  51 LEU HB3 5.27 
 &rst iat=  317, 812, r1= 4.77, r2= 5.27,
 r3= 5.27, r4= 5.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU 3HB 2HB    79 LEU 1HD1 2HD1 3HD1  2.97  
 &rst iat= -1, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 1300, 1299,   igr2= 1304, 1305, 1306,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 3HB 2HB    79 LEU 1HD2 2HD2 3HD2  2.97  
 &rst iat= -1, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 1300, 1299,   igr2= 1308, 1309, 1310,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 1HD2 2HD2 3HD2    79 LEU HA 3.84 
 &rst iat= 1297, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 1308, 1309, 1310,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU HA  80 LEU HG 3.74 
 &rst iat=  1316, 1321, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU HA  82 PHE H 5.10 
 &rst iat=  1316, 1352, r1= 4.60, r2= 5.10,
 r3= 5.10, r4= 5.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU 1HD2 2HD2 3HD2    80 LEU HB2 3.95 
 &rst iat= 1318, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1327, 1328, 1329,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD2 2HD2 3HD2    80 LEU HB3 3.95 
 &rst iat= 1319, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1327, 1328, 1329,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD2 2HD2 3HD2    80 LEU HA 3.37 
 &rst iat= 1316, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 1327, 1328, 1329,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD2 2HD2 3HD2    80 LEU H 4.25 
 &rst iat= 1314, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1327, 1328, 1329,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU HG  81 ILE HA 4.49 
 &rst iat=  1106, 1335, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE HA  84 ILE HG12 4.69 
 &rst iat=  1335, 1397, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    81 ILE HA 3.44 
 &rst iat= 1335, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 1341, 1340, 1339,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    85 LEU 3HD1 2HD1 1HD1  4.24  
 &rst iat= -1, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 1341, 1340, 1339,   igr2= 1417, 1416, 1415,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    85 LEU HG 3.75 
 &rst iat= -1, 1413, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    116 ILE HG12 4.03 
 &rst iat= -1, 1947, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    81 ILE HG13 3.57 
 &rst iat= -1, 1344, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    72 TYR HB3 4.49 
 &rst iat= 1172, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 1341, 1340, 1339,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    113 PHE HA 5.22 
 &rst iat= -1, 1888, r1= 5.77, r2= 6.27, r3= 6.27, r4= 6.77,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    82 PHE HB2 4.36 
 &rst iat= -1, 1356, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    81 ILE H 3.89 
 &rst iat= 1333, -1, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 0,  igr2= 1341, 1340, 1339,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    82 PHE H 4.49 
 &rst iat= -1, 1352, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 1346, 1348, 1347,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HD1 HD2    81 ILE 1HD1 3HD1 2HD1  4.60  
 &rst iat= -1, -1, r1= 5.02, r2= 5.52, r3= 9.92, r4= 10.42,
 igr1= 1175, 1184,   igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    72 TYR HA 4.15 
 &rst iat= 1169, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    81 ILE HA 3.91 
 &rst iat= 1335, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    81 ILE HB 3.46 
 &rst iat= 1337, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    73 ILE HG13 3.91 
 &rst iat= 1199, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    82 PHE HA 4.17 
 &rst iat= -1, 1354, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    82 PHE HB2 4.98 
 &rst iat= 1356, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU HA  83 GLU HG3 4.10 
 &rst iat=  1374, 1380, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU HA  83 GLU HG2 4.10 
 &rst iat=  1374, 1379, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HE2 HE1    84 ILE HA 5.12 
 &rst iat= -1, 1389, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE HA  84 ILE HG12 4.25 
 &rst iat=  1389, 1397, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE HA  87 ARG HG2 4.19 
 &rst iat=  1389, 1449, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 PRO HA  84 ILE HA 5.32 
 &rst iat=  716, 1389, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU HA  84 ILE HA 5.84 
 &rst iat=  1374, 1389, r1= 5.34, r2= 5.84,
 r3= 5.84, r4= 6.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    84 ILE HB 4.81 
 &rst iat= -1, 1391, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 1108, 1110, 1109,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    45 PRO HG3 4.27 
 &rst iat= 711, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    81 ILE HA 4.97 
 &rst iat= 1335, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    84 ILE 1HD1 3HD1 2HD1  4.17  
 &rst iat= -1, -1, r1= 4.51, r2= 5.01, r3= 9.41, r4= 9.91,
 igr1= 758, 767,   igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    84 ILE 3HG2 2HG2 1HG2  3.67  
 &rst iat= -1, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 765, 760,   igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    84 ILE HA 3.43 
 &rst iat= 1389, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    88 LEU HG 3.76 
 &rst iat= -1, 1473, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    84 ILE 3HG2 2HG2 1HG2  3.63  
 &rst iat= -1, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 1112, 1114, 1113,   igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    84 ILE 3HG2 2HG2 1HG2  3.63  
 &rst iat= -1, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 1108, 1110, 1109,   igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN HA  89 SER HG 3.89 
 &rst iat=  1427, 1492, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU HA  86 GLN HB3 4.45 
 &rst iat=  1374, 1430, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN H  86 GLN HG2 4.48 
 &rst iat=  1425, 1432, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HG3  87 ARG H 5.53 
 &rst iat=  1433, 1442, r1= 5.03, r2= 5.53,
 r3= 5.53, r4= 6.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HG2  87 ARG H 5.53 
 &rst iat=  1432, 1442, r1= 5.03, r2= 5.53,
 r3= 5.53, r4= 6.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HA  87 ARG HG3 4.04 
 &rst iat=  1444, 1450, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HA  87 ARG HD2 3.90 
 &rst iat=  1444, 1452, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG HA  87 ARG HD3 4.14 
 &rst iat=  1444, 1453, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO 2HG 3HG    87 ARG HD3 5.22 
 &rst iat= -1, 1453, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 775, 776,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN HB3  87 ARG HD3 4.75 
 &rst iat=  1430, 1453, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HB3  87 ARG HD2 4.58 
 &rst iat=  1430, 1452, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HE2 HE1    88 LEU HG 5.30 
 &rst iat= -1, 1473, r1= 5.45, r2= 5.95, r3= 5.95, r4= 6.45,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HD1 2HD1 1HD1    88 LEU HA 4.54 
 &rst iat= 1468, -1, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 0,  igr2= 1477, 1476, 1475,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    88 LEU 3HD1 2HD1 1HD1  5.01  
 &rst iat= -1, -1, r1= 6.25, r2= 6.75, r3= 6.75, r4= 7.25,
 igr1= 982, 986,   igr2= 1477, 1476, 1475,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    89 SER HB2 5.07 
 &rst iat= 1489, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU HA  90 GLU HG3 3.70 
 &rst iat=  1498, 1504, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU HA  90 GLU HG2 3.70 
 &rst iat=  1498, 1503, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    91 LEU HA 4.08 
 &rst iat= 1513, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 LYS 3HB 2HB    91 LEU HA 4.52 
 &rst iat= 1513, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 1535, 1534,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU HA  91 LEU HG 4.22 
 &rst iat=  1513, 1518, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU HA  91 LEU HG 4.80 
 &rst iat=  1468, 1518, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    91 LEU HB3 3.81 
 &rst iat= 1516, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    52 PHE HB2 4.01 
 &rst iat= 830, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    88 LEU HA 3.71 
 &rst iat= 1468, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    49 PRO HA 4.82 
 &rst iat= 781, -1, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    91 LEU 1HD1 2HD1 3HD1  4.40  
 &rst iat= -1, -1, r1= 5.43, r2= 5.93, r3= 5.93, r4= 6.43,
 igr1= 840, 836,   igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    91 LEU 1HD1 2HD1 3HD1  4.87  
 &rst iat= -1, -1, r1= 5.35, r2= 5.85, r3= 10.25, r4= 10.75,
 igr1= 758, 767,   igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    91 LEU 1HD1 2HD1 3HD1  3.79  
 &rst iat= -1, -1, r1= 4.05, r2= 4.55, r3= 8.95, r4= 9.45,
 igr1= 842, 834,   igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    91 LEU HB2 3.53 
 &rst iat= 1515, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    91 LEU HB3 3.53 
 &rst iat= 1516, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    52 PHE HB2 3.42 
 &rst iat= 830, -1, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    52 PHE HB3 3.71 
 &rst iat= 831, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    49 PRO HA 3.17 
 &rst iat= 781, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    91 LEU HA 3.01 
 &rst iat= 1513, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ARG 3HD 2HD    93 ARG HA 4.20 
 &rst iat= 1554, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 1563, 1562,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    94 PHE HA 4.59 
 &rst iat= 1578, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 1592, 1584,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    94 PHE HA 5.77 
 &rst iat= 1578, -1, r1= 5.98, r2= 6.48, r3= 6.48, r4= 6.98,
 igr1= 0,  igr2= 1586, 1590,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    94 PHE HA 5.19 
 &rst iat= -1, 1578, r1= 5.33, r2= 5.83, r3= 5.83, r4= 6.33,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    95 ASP HA 4.35 
 &rst iat= 1598, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 0,  igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 ASP HA  98 VAL HB 3.96 
 &rst iat=  1598, 1639, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET 2HE 1HE 3HE    95 ASP HA 4.88 
 &rst iat= 1598, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 0,  igr2= 1620, 1619, 1621,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET 2HG 3HG    96 MET HA 3.44 
 &rst iat= 1610, -1, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 0,  igr2= 1615, 1616,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET H  96 MET HB3 3.80 
 &rst iat=  1608, 1613, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 MET 2HG 3HG    96 MET HB3 3.00 
 &rst iat= 1613, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 1615, 1616,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET 2HE 1HE 3HE    96 MET HA 2.74 
 &rst iat= 1610, -1, r1= 2.79, r2= 3.29, r3= 3.29, r4= 3.79,
 igr1= 0,  igr2= 1620, 1619, 1621,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO HB3  97 ALA HA 3.95 
 &rst iat=  938, 1627, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    61 PHE HB2 4.43 
 &rst iat= 976, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    61 PHE HA 4.26 
 &rst iat= 974, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    97 ALA 1HB 3HB 2HB  3.34  
 &rst iat= -1, -1, r1= 3.51, r2= 4.01, r3= 8.41, r4= 8.91,
 igr1= 988, 980,   igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL HA  101 MET HG2 4.31 
 &rst iat=  1637, 1695, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    98 VAL 2HG2 1HG2 3HG2  3.80  
 &rst iat= -1, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 1629, 1631, 1630,   igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    98 VAL HA 3.31 
 &rst iat= 1637, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    95 ASP HA 3.80 
 &rst iat= 1598, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    133 TYR HA 3.52 
 &rst iat= -1, 2218, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    98 VAL 2HG2 1HG2 3HG2  3.57  
 &rst iat= -1, -1, r1= 4.31, r2= 4.81, r3= 4.81, r4= 5.31,
 igr1= 1586, 1590,   igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    98 VAL 2HG2 1HG2 3HG2  3.48  
 &rst iat= -1, -1, r1= 4.19, r2= 4.69, r3= 4.69, r4= 5.19,
 igr1= 982, 986,   igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    98 VAL 2HG1 1HG1 3HG1  4.00  
 &rst iat= -1, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 982, 986,   igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    133 TYR HA 3.58 
 &rst iat= -1, 2218, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    99 MET HA 3.97 
 &rst iat= -1, 1653, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET HA  99 MET HG2 3.77 
 &rst iat=  1653, 1658, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    40 LEU HA 3.63 
 &rst iat= 616, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET HA  99 MET HG3 3.77 
 &rst iat=  1653, 1659, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET H  99 MET HG2 5.02 
 &rst iat=  1651, 1658, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  99 MET 3HE 1HE 2HE    99 MET HA 3.94 
 &rst iat= 1653, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 1664, 1662, 1663,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET HA  101 MET HG3 4.12 
 &rst iat=  1690, 1696, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET HA  101 MET HG2 4.12 
 &rst iat=  1690, 1695, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL HA  101 MET HG3 4.31 
 &rst iat=  1637, 1696, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    101 MET 1HE 3HE 2HE  3.62  
 &rst iat= -1, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 1646, 1645, 1647,   igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    101 MET 1HE 3HE 2HE  2.83  
 &rst iat= -1, -1, r1= 3.58, r2= 4.08, r3= 4.08, r4= 4.58,
 igr1= 1642, 1641, 1643,   igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    109 ALA 3HB 2HB 1HB  2.85  
 &rst iat= -1, -1, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 1699, 1701, 1700,   igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    98 VAL HA 2.84 
 &rst iat= 1637, -1, r1= 2.91, r2= 3.41, r3= 3.41, r4= 3.91,
 igr1= 0,  igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    101 MET HG3 3.51 
 &rst iat= 1696, -1, r1= 3.72, r2= 4.22, r3= 4.22, r4= 4.72,
 igr1= 0,  igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    133 TYR HB3 3.42 
 &rst iat= -1, 2221, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    106 LYS HA 2.58 
 &rst iat= -1, 1762, r1= 2.60, r2= 3.10, r3= 3.10, r4= 3.60,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    101 MET HG2 3.51 
 &rst iat= 1695, -1, r1= 3.72, r2= 4.22, r3= 4.22, r4= 4.72,
 igr1= 0,  igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    133 TYR HD2 HD1  3.68  
 &rst iat= -1, -1, r1= 3.92, r2= 4.42, r3= 8.82, r4= 9.32,
 igr1= 1699, 1701, 1700,   igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    106 LYS H 3.86 
 &rst iat= -1, 1760, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  103 GLU 3HG 2HG    103 GLU HA 3.43 
 &rst iat= 1718, -1, r1= 3.35, r2= 3.85, r3= 3.85, r4= 4.35,
 igr1= 0,  igr2= 1724, 1723,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HD 2HD    104 THR HA 4.40 
 &rst iat= 1733, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 1793, 1792,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HB 2HB    104 THR HA 4.31 
 &rst iat= 1733, -1, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 0,  igr2= 1787, 1786,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 2HE 3HE    104 THR HA 4.81 
 &rst iat= 1733, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 1795, 1796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 THR 3HG2 2HG2 1HG2    108 ILE 3HD1 2HD1 1HD1  3.20  
 &rst iat= -1, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 1739, 1738, 1737,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU HA  105 GLU HG3 3.91 
 &rst iat=  1747, 1753, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU HA  105 GLU HG2 3.91 
 &rst iat=  1747, 1752, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU HA  108 ILE HB 3.83 
 &rst iat=  1747, 1808, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU HA  108 ILE HG13 4.29 
 &rst iat=  1747, 1815, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HA  72 TYR HB2 4.16 
 &rst iat=  1101, 1171, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 GLU HA  107 LYS H 4.35 
 &rst iat=  1718, 1782, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    106 LYS HA 3.06 
 &rst iat= 1762, -1, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 0,  igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 2HB 3HB    103 GLU HA 3.20 
 &rst iat= 1718, -1, r1= 3.09, r2= 3.59, r3= 3.59, r4= 4.09,
 igr1= 0,  igr2= 1764, 1765,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 2HE 3HE    103 GLU HA 4.19 
 &rst iat= 1718, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1773, 1774,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    106 LYS HG2 4.74 
 &rst iat= -1, 1767, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    106 LYS HG3 4.74 
 &rst iat= -1, 1768, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS HA  107 LYS HG2 3.99 
 &rst iat=  1784, 1789, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS HA  107 LYS HG3 3.99 
 &rst iat=  1784, 1790, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS HA  110 ARG HG2 3.33 
 &rst iat=  1784, 1840, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HA  109 ALA HA 4.84 
 &rst iat=  1806, 1825, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HA  108 ILE HG13 3.94 
 &rst iat=  1806, 1815, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HA  108 ILE HG12 3.82 
 &rst iat=  1806, 1814, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    108 ILE HA 3.89 
 &rst iat= 1806, -1, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HG12  109 ALA H 5.57 
 &rst iat=  1814, 1823, r1= 5.07, r2= 5.57,
 r3= 5.57, r4= 6.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HA  108 ILE HG12 5.48 
 &rst iat=  1060, 1814, r1= 4.98, r2= 5.48,
 r3= 5.48, r4= 5.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLU HA  108 ILE HG12 6.07 
 &rst iat=  1747, 1814, r1= 5.57, r2= 6.07,
 r3= 6.07, r4= 6.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE HG12 3.49 
 &rst iat= -1, 1814, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 1812, 1811, 1810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE HG13 3.32 
 &rst iat= -1, 1815, r1= 3.49, r2= 3.99, r3= 3.99, r4= 4.49,
 igr1= 1812, 1811, 1810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE H 3.95 
 &rst iat= 1804, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    66 LYS HA 3.25 
 &rst iat= 1060, -1, r1= 3.40, r2= 3.90, r3= 3.90, r4= 4.40,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE HA 3.37 
 &rst iat= 1806, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    69 HID HB3 3.67 
 &rst iat= 1123, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    69 HID HB2 3.67 
 &rst iat= 1122, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    109 ALA 3HB 2HB 1HB  4.31  
 &rst iat= -1, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 1812, 1811, 1810,   igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    112 LEU 1HD1 3HD1 2HD1  3.45  
 &rst iat= -1, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 1812, 1811, 1810,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    108 ILE HB 3.20 
 &rst iat= 1808, -1, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HE 2HE    108 ILE 3HD1 2HD1 1HD1  3.92  
 &rst iat= -1, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 1072, 1071,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    108 ILE H 3.60 
 &rst iat= 1804, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    107 LYS H 5.17 
 &rst iat= 1782, -1, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HD 2HD    108 ILE 3HD1 2HD1 1HD1  3.57  
 &rst iat= -1, -1, r1= 3.79, r2= 4.29, r3= 8.69, r4= 9.19,
 igr1= 1069, 1068,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    109 ALA HA 5.13 
 &rst iat= 1825, -1, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 0,  igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    109 ALA HA 4.73 
 &rst iat= -1, 1825, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 1054, 1052, 1053,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 ALA HA  112 LEU HG 4.02 
 &rst iat=  1825, 1874, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA HA  112 LEU HB2 4.22 
 &rst iat=  1825, 1871, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    61 PHE HZ 4.98 
 &rst iat= 984, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    133 TYR HB3 4.14 
 &rst iat= -1, 2221, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 1829, 1828, 1827,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    112 LEU 1HD1 3HD1 2HD1  4.10  
 &rst iat= -1, -1, r1= 5.41, r2= 5.91, r3= 5.91, r4= 6.41,
 igr1= 1829, 1828, 1827,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG HA  112 LEU H 4.94 
 &rst iat=  1835, 1867, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HA  110 ARG HG3 3.79 
 &rst iat=  1835, 1841, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    110 ARG HA 4.00 
 &rst iat= -1, 1835, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 1829, 1828, 1827,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG H  110 ARG HB2 4.01 
 &rst iat=  1833, 1837, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HB2  111 ALA H 4.30 
 &rst iat=  1837, 1857, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HA  110 ARG HD3 5.04 
 &rst iat=  1835, 1844, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS HA  110 ARG HD3 4.22 
 &rst iat=  1784, 1844, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS HA  110 ARG HD2 4.22 
 &rst iat=  1784, 1843, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HA  110 ARG HD2 5.04 
 &rst iat=  1835, 1843, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN 3HB 2HB    111 ALA HA 3.32 
 &rst iat= 1859, -1, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 0,  igr2= 1911, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    108 ILE H 5.17 
 &rst iat= 1804, -1, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    110 ARG HE 5.45 
 &rst iat= 1846, -1, r1= 6.05, r2= 6.55, r3= 6.55, r4= 7.05,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    107 LYS HA 4.67 
 &rst iat= 1784, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    108 ILE HA 3.39 
 &rst iat= 1806, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    114 ASN 3HB 2HB  3.94  
 &rst iat= -1, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 1861, 1862, 1863,   igr2= 1911, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    111 ALA 1HB 2HB 3HB  4.15  
 &rst iat= -1, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 1203, 1201, 1202,   igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    112 LEU HA 3.98 
 &rst iat= 1869, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    112 LEU HB3 3.86 
 &rst iat= 1872, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    73 ILE HG12 4.10 
 &rst iat= 1198, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    112 LEU 1HD2 3HD2 2HD2  2.76  
 &rst iat= -1, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 1203, 1201, 1202,   igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    73 ILE HG13 3.57 
 &rst iat= 1199, -1, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    112 LEU HB2 3.58 
 &rst iat= 1871, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    81 ILE HB 4.15 
 &rst iat= 1337, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    69 HID HB2 4.62 
 &rst iat= 1122, -1, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    115 HID HB3 4.26 
 &rst iat= -1, 1925, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 1880, 1882, 1881,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    69 HID HA 3.25 
 &rst iat= 1120, -1, r1= 3.40, r2= 3.90, r3= 3.90, r4= 4.40,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    69 HID HB3 4.62 
 &rst iat= 1123, -1, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    112 LEU HA 3.16 
 &rst iat= 1869, -1, r1= 3.29, r2= 3.79, r3= 3.79, r4= 4.29,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    112 LEU H 3.84 
 &rst iat= 1867, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    68 LEU H 4.58 
 &rst iat= 1099, -1, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    72 TYR H 5.32 
 &rst iat= 1167, -1, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    113 PHE H 4.47 
 &rst iat= -1, 1886, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 1876, 1878, 1877,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    112 LEU H 3.92 
 &rst iat= 1867, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD2 2HD2 1HD2    112 LEU 1HD1 3HD1 2HD1  3.49  
 &rst iat= -1, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1421, 1420, 1419,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HA  116 ILE HG13 4.41 
 &rst iat=  1888, 1948, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HA  116 ILE HG12 4.68 
 &rst iat=  1888, 1947, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HA  116 ILE HB 3.77 
 &rst iat=  1888, 1941, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HA  115 HID HB3 5.67 
 &rst iat=  1888, 1925, r1= 5.17, r2= 5.67,
 r3= 5.67, r4= 6.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HA  116 ILE HA 6.00 
 &rst iat=  1888, 1939, r1= 5.50, r2= 6.00,
 r3= 6.00, r4= 6.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    113 PHE HA 5.01 
 &rst iat= 1888, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  114 ASN 3HB 2HB    115 HID HA 4.23 
 &rst iat= -1, 1922, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 1911, 1910,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 3HB 2HB    115 HID HA 4.05 
 &rst iat= 1922, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 0,  igr2= 1973, 1972,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 2HD 3HD    115 HID HA 4.16 
 &rst iat= 1922, -1, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 0,  igr2= 1978, 1979,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE HA  116 ILE HG13 3.96 
 &rst iat=  1939, 1948, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE HA  116 ILE HG12 3.93 
 &rst iat=  1939, 1947, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE HA  81 ILE HG13 4.17 
 &rst iat=  1335, 1344, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER 2HB 3HB    116 ILE HA 4.28 
 &rst iat= 1939, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 1994, 1995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    116 ILE 2HD1 1HD1 3HD1  3.72  
 &rst iat= -1, -1, r1= 3.97, r2= 4.47, r3= 8.87, r4= 9.37,
 igr1= 1894, 1902,   igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    116 ILE 2HD1 1HD1 3HD1  4.34  
 &rst iat= -1, -1, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 1900, 1896,   igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    113 PHE HA 3.48 
 &rst iat= 1888, -1, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    82 PHE HA 3.53 
 &rst iat= 1354, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    116 ILE HA 4.02 
 &rst iat= 1939, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    82 PHE HB3 4.21 
 &rst iat= 1357, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    82 PHE HB2 3.76 
 &rst iat= 1356, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    116 ILE HB 3.28 
 &rst iat= 1941, -1, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    116 ILE 2HD1 1HD1 3HD1  2.89  
 &rst iat= -1, -1, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 1943, 1945, 1944,   igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 3HB 2HB    118 LYS HA 2.90 
 &rst iat= 1970, -1, r1= 2.76, r2= 3.26, r3= 3.26, r4= 3.76,
 igr1= 0,  igr2= 1973, 1972,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 3HB 2HB    119 SER HA 4.71 
 &rst iat= -1, 1992, r1= 4.79, r2= 5.29, r3= 5.29, r4= 5.79,
 igr1= 1973, 1972,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    133 TYR HA 5.36 
 &rst iat= -1, 2218, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO HB3  119 SER HA 5.51 
 &rst iat=  1289, 1992, r1= 5.01, r2= 5.51,
 r3= 5.51, r4= 6.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU HA  121 LEU HG 3.58 
 &rst iat=  2010, 2015, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    121 LEU HB3 4.51 
 &rst iat= -1, 2013, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    121 LEU HB2 3.96 
 &rst iat= 2012, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 SER 2HB 3HB    121 LEU 3HD1 1HD1 2HD1  3.97  
 &rst iat= -1, -1, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 1994, 1995,   igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    82 PHE HB3 3.96 
 &rst iat= 1357, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    82 PHE HB2 4.19 
 &rst iat= 1356, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    116 ILE HB 4.28 
 &rst iat= 1941, -1, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 3HB 2HB    121 LEU 3HD1 1HD1 2HD1  4.24  
 &rst iat= -1, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 1300, 1299,   igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    116 ILE HG12 4.50 
 &rst iat= 1947, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    121 LEU HB3 3.55 
 &rst iat= 2013, -1, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    121 LEU 3HD1 1HD1 2HD1  3.01  
 &rst iat= -1, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 1943, 1945, 1944,   igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 1HD2 2HD2 3HD2    121 LEU 3HD2 1HD2 2HD2  3.57  
 &rst iat= -1, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 1308, 1309, 1310,   igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    121 LEU HB3 3.36 
 &rst iat= 2013, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 3HB 2HB    121 LEU 3HD2 1HD2 2HD2  4.25  
 &rst iat= -1, -1, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 1300, 1299,   igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    121 LEU HA 3.07 
 &rst iat= 2010, -1, r1= 3.19, r2= 3.69, r3= 3.69, r4= 4.19,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    122 LYS H 4.12 
 &rst iat= -1, 2027, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 2023, 2021, 2022,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 2HG 3HG    122 LYS HA 3.37 
 &rst iat= 2029, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 2034, 2035,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 2HG 3HG    122 LYS 2HE 3HE  4.15  
 &rst iat= -1, -1, r1= 4.16, r2= 4.66, r3= 9.06, r4= 9.56,
 igr1= 2034, 2035,   igr2= 2040, 2041,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 2HD 3HD    121 LEU HA 4.28 
 &rst iat= 2010, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 2037, 2038,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 2HD 3HD    122 LYS HA 4.67 
 &rst iat= 2029, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 2037, 2038,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 2HG 3HG    122 LYS 2HD 3HD  2.85  
 &rst iat= -1, -1, r1= 2.70, r2= 3.20, r3= 7.60, r4= 8.10,
 igr1= 2034, 2035,   igr2= 2037, 2038,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    123 ASP HB2 4.54 
 &rst iat= 2053, -1, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    124 SER HA 5.36 
 &rst iat= 2063, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU 2HG 3HG    124 SER HA 3.75 
 &rst iat= 2063, -1, r1= 3.71, r2= 4.21, r3= 4.21, r4= 4.71,
 igr1= 0,  igr2= 2106, 2107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 SER HA  127 GLU H 4.05 
 &rst iat=  2063, 2099, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU 3HG 2HG    125 SER HA 4.06 
 &rst iat= 2074, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 2122, 2121,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU 3HB 2HB    125 SER HA 3.37 
 &rst iat= 2074, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 2119, 2118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    125 SER HA 5.24 
 &rst iat= 2074, -1, r1= 5.79, r2= 6.29, r3= 6.29, r4= 6.79,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL HA  130 LYS H 5.15 
 &rst iat=  2085, 2148, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    127 GLU HA 4.22 
 &rst iat= -1, 2101, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 2089, 2091, 2090,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU HA  130 LYS HB3 3.83 
 &rst iat=  2101, 2153, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS 3HE 2HE    127 GLU HA 4.46 
 &rst iat= 2101, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 2162, 2161,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU 3HG 2HG    128 GLU HA 3.31 
 &rst iat= 2116, -1, r1= 3.22, r2= 3.72, r3= 3.72, r4= 4.22,
 igr1= 0,  igr2= 2122, 2121,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU 3HB 2HB    128 GLU HA 2.92 
 &rst iat= 2116, -1, r1= 2.78, r2= 3.28, r3= 3.28, r4= 3.78,
 igr1= 0,  igr2= 2119, 2118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 GLU HA  131 LYS HG2 3.16 
 &rst iat=  2116, 2177, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 LYS 2HB 3HB    131 LYS HA 2.82 
 &rst iat= 2172, -1, r1= 2.67, r2= 3.17, r3= 3.17, r4= 3.67,
 igr1= 0,  igr2= 2174, 2175,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS 2HE 3HE    128 GLU HA 5.33 
 &rst iat= 2116, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 2183, 2184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 LYS 2HE 3HE    131 LYS HA 5.75 
 &rst iat= 2172, -1, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 0,  igr2= 2183, 2184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL HB  127 GLU H 3.90 
 &rst iat=  2087, 2099, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    123 ASP H 3.14 
 &rst iat= 2049, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    127 GLU H 3.85 
 &rst iat= -1, 2099, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 2093, 2095, 2094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    122 LYS HA 3.86 
 &rst iat= 2029, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    126 VAL HA 3.14 
 &rst iat= 2085, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  125 SER 2HB 3HB    126 VAL 1HG2 3HG2 2HG2  4.16  
 &rst iat= -1, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 2076, 2077,   igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    126 VAL 1HG1 3HG1 2HG1  4.10  
 &rst iat= -1, -1, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 1900, 1896,   igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    122 LYS HA 4.26 
 &rst iat= 2029, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    126 VAL HA 3.17 
 &rst iat= 2085, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    117 ASP HB2 4.19 
 &rst iat= 1960, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    82 PHE HB2 5.81 
 &rst iat= 1356, -1, r1= 6.48, r2= 6.98, r3= 6.98, r4= 7.48,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    117 ASP HB3 6.15 
 &rst iat= 1961, -1, r1= 6.89, r2= 7.39, r3= 7.39, r4= 7.89,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG1 3HG1 2HG1    116 ILE HB 3.97 
 &rst iat= 1941, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU H  127 GLU HB2 3.65 
 &rst iat=  2099, 2103, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU 2HG 3HG    127 GLU HA 3.49 
 &rst iat= 2101, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 2106, 2107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU 2HG 3HG    127 GLU HB2 2.98 
 &rst iat= 2103, -1, r1= 2.84, r2= 3.34, r3= 3.34, r4= 3.84,
 igr1= 0,  igr2= 2106, 2107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  127 GLU 2HG 3HG    127 GLU HB3 2.98 
 &rst iat= 2104, -1, r1= 2.84, r2= 3.34, r3= 3.34, r4= 3.84,
 igr1= 0,  igr2= 2106, 2107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    129 LEU HB2 3.73 
 &rst iat= 2133, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    129 LEU HB3 3.73 
 &rst iat= 2134, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    129 LEU HA 4.05 
 &rst iat= 2131, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    113 PHE HZ 4.12 
 &rst iat= 1898, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    133 TYR HD2 HD1  4.82  
 &rst iat= -1, -1, r1= 5.29, r2= 5.79, r3= 10.19, r4= 10.69,
 igr1= 2143, 2142, 2144,   igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    89 SER HG 5.21 
 &rst iat= 1492, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    113 PHE HZ 4.12 
 &rst iat= 1898, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    129 LEU HA 4.05 
 &rst iat= 2131, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    86 GLN HA 3.67 
 &rst iat= 1427, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    129 LEU HB3 3.73 
 &rst iat= 2134, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    129 LEU HB2 3.73 
 &rst iat= 2133, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS HA  130 LYS HG2 4.01 
 &rst iat=  2150, 2155, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HA  130 LYS HG3 3.90 
 &rst iat=  2150, 2156, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HA  133 TYR HB2 4.47 
 &rst iat=  2150, 2220, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HA  133 TYR HB3 5.50 
 &rst iat=  2150, 2221, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU HA  130 LYS HA 5.76 
 &rst iat=  2101, 2150, r1= 5.26, r2= 5.76,
 r3= 5.76, r4= 6.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS HA  131 LYS HA 5.24 
 &rst iat=  2150, 2172, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU HA  130 LYS HA 5.08 
 &rst iat=  2131, 2150, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS 3HE 2HE    130 LYS HB3 5.22 
 &rst iat= 2153, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 0,  igr2= 2162, 2161,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS HB2  131 LYS H 4.31 
 &rst iat=  2152, 2170, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU HA  130 LYS HB2 4.68 
 &rst iat=  2101, 2152, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS 2HD 3HD    127 GLU HA 4.40 
 &rst iat= 2101, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 2158, 2159,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HD 2HD    132 ARG HA 3.91 
 &rst iat= 2194, -1, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 0,  igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HD 2HD    129 LEU HA 4.03 
 &rst iat= 2131, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    132 ARG 3HD 2HD  4.17  
 &rst iat= -1, -1, r1= 4.18, r2= 4.68, r3= 9.08, r4= 9.58,
 igr1= 1586, 1590,   igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HD 2HD    132 ARG H 4.27 
 &rst iat= 2192, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HD2 HD1    133 TYR HA 4.28 
 &rst iat= 2218, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    134 GLY HA3 4.84 
 &rst iat= -1, 2240, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    75 LYS HE3 4.03 
 &rst iat= -1, 1236, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 1230, 1229,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    94 PHE HA 3.74 
 &rst iat= 1578, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 1HD1 2HD1 3HD1    121 LEU 3HD2 1HD2 2HD2  3.57  
 &rst iat= -1, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 1304, 1305, 1306,   igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU HA  82 PHE HB2 4.32 
 &rst iat=  1297, 1356, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  117 ASP HB3  118 LYS HA 4.61 
 &rst iat=  1961, 1970, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    79 LEU HG 4.21 
 &rst iat= 1302, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    60 VAL 2HG1 1HG1 3HG1  3.82  
 &rst iat= -1, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 383, 379,   igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD2 2HD2 1HD2    85 LEU HA 4.20 
 &rst iat= 1408, -1, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 0,  igr2= 1421, 1420, 1419,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    66 LYS HA 3.49 
 &rst iat= 1060, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HA  39 TYR HH 5.15 
 &rst iat=  236, 606, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HA  39 TYR HH 4.20 
 &rst iat=  314, 606, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HA  39 TYR HH 5.02 
 &rst iat=  359, 606, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HD3  39 TYR HH 5.04 
 &rst iat=  228, 606, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HD2  39 TYR HH 5.04 
 &rst iat=  227, 606, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HB2  39 TYR HH 4.26 
 &rst iat=  361, 606, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HG3  39 TYR HH 4.63 
 &rst iat=  231, 606, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB2  39 TYR HH 4.68 
 &rst iat=  233, 606, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB3  39 TYR HH 4.61 
 &rst iat=  234, 606, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HG2  39 TYR HH 5.20 
 &rst iat=  230, 606, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HB3  39 TYR HH 4.21 
 &rst iat=  362, 606, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HB2  39 TYR HH 5.62 
 &rst iat=  316, 606, r1= 5.12, r2= 5.62,
 r3= 5.62, r4= 6.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    39 TYR HH 5.03 
 &rst iat= 606, -1, r1= 5.54, r2= 6.04, r3= 6.04, r4= 6.54,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 PHE HD1 HD2    7 PHE HA 3.84 
 &rst iat= 88, -1, r1= 3.81, r2= 4.31, r3= 4.31, r4= 4.81,
 igr1= 0,  igr2= 94, 102,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  100 PHE HD1 HD2    100 PHE HA 3.14 
 &rst iat= 1670, -1, r1= 3.02, r2= 3.52, r3= 3.52, r4= 4.02,
 igr1= 0,  igr2= 1676, 1684,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    22 LEU HA 4.07 
 &rst iat= 314, -1, r1= 4.07, r2= 4.57, r3= 4.57, r4= 5.07,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID HD2  111 ALA HA 5.20 
 &rst iat=  1131, 1859, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HD1 HD2    48 TYR HA 3.57 
 &rst iat= 752, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    48 TYR HA 4.56 
 &rst iat= 752, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    133 TYR HA 4.87 
 &rst iat= 2218, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    56 LEU HA 4.08 
 &rst iat= -1, 901, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    56 LEU HA 4.64 
 &rst iat= -1, 901, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 840, 836,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HZ  129 LEU HA 5.21 
 &rst iat=  1898, 2131, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  67 ILE H 5.07 
 &rst iat=  1008, 1080, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE HE1 HE2    132 ARG HA 4.30 
 &rst iat= -1, 2194, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 1586, 1590,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    37 TYR HA 3.44 
 &rst iat= 557, -1, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 0,  igr2= 572, 563,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    37 TYR HA 4.85 
 &rst iat= 557, -1, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 0,  igr2= 565, 570,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    110 ARG HA 3.63 
 &rst iat= 1835, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    37 TYR HA 4.75 
 &rst iat= 557, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 GLN HA  7 PHE H 3.43 
 &rst iat=  71, 86, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 PRO HA  115 HID HD2 4.14 
 &rst iat=  1291, 1933, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 SER H  120 GLY HA3 5.49 
 &rst iat=  1990, 2004, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    67 ILE HA 3.95 
 &rst iat= 1082, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR H  10 THR HB 3.82 
 &rst iat=  130, 134, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HA  63 GLN HE22 4.84 
 &rst iat=  503, 1019, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    33 PRO HA 5.25 
 &rst iat= 503, -1, r1= 5.39, r2= 5.89, r3= 5.89, r4= 6.39,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    41 LYS HA 4.25 
 &rst iat= 635, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 ASN HA  62 ASN HD21 4.64 
 &rst iat=  994, 1001, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    34 ASP HA 3.60 
 &rst iat= 509, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    113 PHE HA 3.35 
 &rst iat= 1888, -1, r1= 3.26, r2= 3.76, r3= 3.76, r4= 4.26,
 igr1= 0,  igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    113 PHE HA 5.57 
 &rst iat= -1, 1888, r1= 5.75, r2= 6.25, r3= 6.25, r4= 6.75,
 igr1= 1368, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    72 TYR HA 4.28 
 &rst iat= -1, 1169, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    125 SER 2HB 3HB  4.72  
 &rst iat= -1, -1, r1= 5.45, r2= 5.95, r3= 5.95, r4= 6.45,
 igr1= 1362, 1366,   igr2= 2076, 2077,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG HA  30 LYS H 3.89 
 &rst iat=  391, 449, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID HD2  112 LEU HA 4.51 
 &rst iat=  1131, 1869, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU HA  115 HID HD2 4.86 
 &rst iat=  1869, 1933, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 PRO HD2  47 LEU H 4.97 
 &rst iat=  707, 731, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HD2 HD1    61 PHE HA 3.49 
 &rst iat= 974, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN HD21  21 GLN HA 5.16 
 &rst iat=  259, 297, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN HA  21 GLN HE21 4.30 
 &rst iat=  297, 307, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HD1 HD2    39 TYR HA 3.70 
 &rst iat= 595, -1, r1= 3.65, r2= 4.15, r3= 4.15, r4= 4.65,
 igr1= 0,  igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL H  66 LYS HA 5.98 
 &rst iat=  1042, 1060, r1= 5.48, r2= 5.98,
 r3= 5.98, r4= 6.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL H  127 GLU HA 6.50 
 &rst iat=  2083, 2101, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU HA  129 LEU H 4.63 
 &rst iat=  2101, 2129, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HE21  87 ARG HA 4.73 
 &rst iat=  1437, 1444, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 PRO HD2 3.74 
 &rst iat=  482, 494, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HZ  126 VAL HA 3.69 
 &rst iat=  1364, 2085, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    126 VAL HA 4.74 
 &rst iat= -1, 2085, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID HA  69 HID HD2 3.84 
 &rst iat=  1120, 1131, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER 3HB 2HB    52 PHE HD2 HD1  3.86  
 &rst iat= -1, -1, r1= 3.83, r2= 4.33, r3= 8.73, r4= 9.23,
 igr1= 269, 268,   igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HD1 HD2    68 LEU HA 4.73 
 &rst iat= 1101, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1175, 1184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    19 SER HA 4.41 
 &rst iat= 266, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER 3HB 2HB    52 PHE HE2 HE1  4.69  
 &rst iat= -1, -1, r1= 5.41, r2= 5.91, r3= 5.91, r4= 6.41,
 igr1= 269, 268,   igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 THR HA  107 LYS H 4.19 
 &rst iat=  1733, 1782, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HD1 HD2    49 PRO HD2 4.50 
 &rst iat= -1, 772, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    82 PHE HA 4.59 
 &rst iat= 1354, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 1362, 1366,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO HA  47 LEU H 4.67 
 &rst iat=  716, 731, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    26 PHE HA 3.37 
 &rst iat= 371, -1, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 0,  igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  100 PHE HD1 HD2    97 ALA HA 3.85 
 &rst iat= 1627, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 1676, 1684,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    45 PRO HA 3.52 
 &rst iat= 716, -1, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 0,  igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    26 PHE HA 4.94 
 &rst iat= 371, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    82 PHE HA 4.95 
 &rst iat= 1354, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 0,  igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    45 PRO HA 3.69 
 &rst iat= 716, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 0,  igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    83 GLU HA 6.27 
 &rst iat= -1, 1374, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    86 GLN HA 6.50 
 &rst iat= -1, 1427, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    83 GLU HA 4.63 
 &rst iat= -1, 1374, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 1368, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    15 ILE HA 4.57 
 &rst iat= 209, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE HA  42 GLN HE21 4.62 
 &rst iat=  209, 667, r1= 4.12, r2= 4.62,
 r3= 4.62, r4= 5.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HD1 HD2    49 PRO HD3 4.47 
 &rst iat= -1, 773, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    60 VAL HA 3.27 
 &rst iat= -1, 958, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    23 GLU HA 5.45 
 &rst iat= 333, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLU HA  52 PHE HZ 5.91 
 &rst iat=  333, 838, r1= 5.41, r2= 5.91,
 r3= 5.91, r4= 6.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    48 TYR HB3 4.29 
 &rst iat= 755, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HZ  64 ILE HA 4.32 
 &rst iat=  381, 1025, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID HD2  108 ILE HA 3.50 
 &rst iat=  1131, 1806, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HD2 HD1    98 VAL HA 4.16 
 &rst iat= -1, 1637, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID HB3  115 HID HD2 3.93 
 &rst iat=  1925, 1933, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HZ  133 TYR HB3 3.86 
 &rst iat=  984, 2221, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HE1 HE2    101 MET HG3 4.42 
 &rst iat= -1, 1696, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 982, 986,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    101 MET HG3 4.50 
 &rst iat= -1, 1696, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    38 GLN HA 4.60 
 &rst iat= -1, 578, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 572, 563,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID HB2  115 HID HD2 3.97 
 &rst iat=  1924, 1933, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HE2 HE1    25 ASP HB2 4.14 
 &rst iat= 361, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HE 3HE    53 GLN HE21 5.27 
 &rst iat= -1, 858, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 798, 799,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE HA  115 HID HE1 4.90 
 &rst iat=  1190, 1930, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE HA  115 HID HD2 4.39 
 &rst iat=  1190, 1933, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    133 TYR HB2 4.09 
 &rst iat= -1, 2220, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU H  94 PHE HB2 4.20 
 &rst iat=  1511, 1580, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HE1 HE2    41 LYS 2HE 3HE  4.41  
 &rst iat= -1, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 565, 570,   igr2= 646, 647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    101 MET HG2 4.50 
 &rst iat= -1, 1695, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    101 MET HG2 4.42 
 &rst iat= -1, 1695, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 982, 986,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 GLN 2HG 3HG    18 ASN H 3.70 
 &rst iat= 250, -1, r1= 3.65, r2= 4.15, r3= 4.15, r4= 4.65,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 GLN 2HG 3HG    18 ASN HD21 4.10 
 &rst iat= 259, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 302, 303,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    130 LYS HA 4.12 
 &rst iat= -1, 2150, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    130 LYS HA 3.77 
 &rst iat= -1, 2150, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HZ  130 LYS HA 4.26 
 &rst iat=  1898, 2150, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 ASP HB2  59 ASP H 5.21 
 &rst iat=  922, 944, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    63 GLN HB2 3.57 
 &rst iat= -1, 1010, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  100 PHE HD1 HD2    58 PRO HB3 3.68 
 &rst iat= 938, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 1676, 1684,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG HB3  132 ARG HE 4.70 
 &rst iat=  2197, 2205, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HE1 HE2    132 ARG HB3 5.50 
 &rst iat= 2197, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    63 GLN 2HG 3HG  3.45  
 &rst iat= -1, -1, r1= 3.37, r2= 3.87, r3= 8.27, r4= 8.77,
 igr1= 377, 385,   igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    63 GLN 2HG 3HG  4.90  
 &rst iat= -1, -1, r1= 5.00, r2= 5.50, r3= 9.90, r4= 10.40,
 igr1= 383, 379,   igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HE2 HE1    33 PRO HB2 3.43 
 &rst iat= 500, -1, r1= 3.35, r2= 3.85, r3= 3.85, r4= 4.35,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 PRO HB2  71 PHE HZ 3.84 
 &rst iat=  500, 1159, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU HB3  81 ILE H 3.87 
 &rst iat=  1319, 1333, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    63 GLN HB3 3.44 
 &rst iat= -1, 1011, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    102 SER H 4.77 
 &rst iat= -1, 1705, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 PRO HB2  34 ASP H 4.20 
 &rst iat=  500, 507, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HE1 HE2    126 VAL HB 5.20 
 &rst iat= -1, 2087, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 GLN 3HB 2HB    51 LEU H 5.13 
 &rst iat= 807, -1, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 0,  igr2= 851, 850,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL HB  128 GLU H 5.55 
 &rst iat=  2087, 2114, r1= 5.05, r2= 5.55,
 r3= 5.55, r4= 6.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HE1 HE2    101 MET 1HE 3HE 2HE  3.77  
 &rst iat= -1, -1, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 982, 986,   igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    63 GLN HB3 4.41 
 &rst iat= -1, 1011, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    64 ILE HG13 4.60 
 &rst iat= -1, 1034, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    38 GLN HG2 4.59 
 &rst iat= -1, 583, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    16 PRO HG3 5.33 
 &rst iat= 231, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL HB  62 ASN H 6.00 
 &rst iat=  960, 992, r1= 5.50, r2= 6.00,
 r3= 6.00, r4= 6.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HB3  28 GLN HE21 5.09 
 &rst iat=  418, 425, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    60 VAL HB 5.39 
 &rst iat= -1, 960, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU HB3  80 LEU H 6.05 
 &rst iat=  1249, 1314, r1= 5.55, r2= 6.05,
 r3= 6.05, r4= 6.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU H  81 ILE HB 6.06 
 &rst iat=  1314, 1337, r1= 5.56, r2= 6.06,
 r3= 6.06, r4= 6.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HE2 HE1    60 VAL HB 4.74 
 &rst iat= -1, 960, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 840, 836,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HZ  60 VAL HB 5.02 
 &rst iat=  838, 960, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU HB3  133 TYR HH 4.80 
 &rst iat=  1471, 2229, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HE1 HE2    40 LEU HB3 4.54 
 &rst iat= 619, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    88 LEU HG 3.86 
 &rst iat= -1, 1473, r1= 3.83, r2= 4.33, r3= 4.33, r4= 4.83,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN HB2  28 GLN HE21 4.43 
 &rst iat=  417, 425, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HB2  28 GLN HE22 5.19 
 &rst iat=  417, 426, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HE1 HE2    132 ARG HB2 5.50 
 &rst iat= 2196, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    43 ILE HB 4.28 
 &rst iat= 676, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE HB  48 TYR HH 4.55 
 &rst iat=  676, 763, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU H  44 GLU HB2 3.74 
 &rst iat=  691, 695, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HE2 HE1    33 PRO HG3 5.05 
 &rst iat= 498, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU H  105 GLU HB2 3.96 
 &rst iat=  1745, 1749, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG HB3  27 ARG HE 4.68 
 &rst iat=  394, 402, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HD2 HD1    129 LEU HG 5.97 
 &rst iat= 2136, -1, r1= 6.20, r2= 6.70, r3= 6.70, r4= 7.20,
 igr1= 0,  igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO HB3  115 HID HD2 4.19 
 &rst iat=  1289, 1933, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    37 TYR HB2 4.39 
 &rst iat= 559, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    129 LEU HG 3.98 
 &rst iat= -1, 2136, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    64 ILE HB 5.22 
 &rst iat= -1, 1027, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HB 2HB    42 GLN HE21 3.40 
 &rst iat= -1, 667, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 660, 659,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR H  38 GLN HB2 5.49 
 &rst iat=  555, 580, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS 3HB 2HB    109 ALA H 5.97 
 &rst iat= -1, 1823, r1= 6.20, r2= 6.70, r3= 6.70, r4= 7.20,
 igr1= 1787, 1786,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU H  47 LEU HB2 5.02 
 &rst iat=  691, 735, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU H  91 LEU HB3 3.83 
 &rst iat=  1511, 1516, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HE1 HE2    129 LEU HB2 4.45 
 &rst iat= -1, 2133, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 GLN HB3  38 GLN HE22 4.48 
 &rst iat=  581, 589, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HZ  40 LEU HG 4.64 
 &rst iat=  381, 621, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE H  87 ARG HG2 5.46 
 &rst iat=  1387, 1449, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS H  30 LYS HB2 3.63 
 &rst iat=  449, 453, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS H  108 ILE HB 6.19 
 &rst iat=  1760, 1808, r1= 5.69, r2= 6.19,
 r3= 6.19, r4= 6.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HB  110 ARG H 5.14 
 &rst iat=  1808, 1833, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID HD2  112 LEU HG 3.69 
 &rst iat=  1131, 1874, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HE1 HE2    80 LEU HG 3.91 
 &rst iat= -1, 1321, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 1177, 1182,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    110 ARG H 4.34 
 &rst iat= 1833, -1, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    69 HID HE1 4.25 
 &rst iat= 1128, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE H  84 ILE HG12 4.62 
 &rst iat=  1333, 1397, r1= 4.12, r2= 4.62,
 r3= 4.62, r4= 5.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    69 HID HD2 2.70 
 &rst iat= 1131, -1, r1= 2.74, r2= 3.24, r3= 3.24, r4= 3.74,
 igr1= 0,  igr2= 1861, 1862, 1863,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE HB  86 GLN H 5.05 
 &rst iat=  1391, 1425, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HB3  113 PHE HZ 4.89 
 &rst iat=  1411, 1898, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HG  69 HID H 6.50 
 &rst iat=  1106, 1118, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HG3  111 ALA H 4.22 
 &rst iat=  1841, 1857, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HE1 HE2    40 LEU HB2 4.54 
 &rst iat= 618, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU H  85 LEU HG 3.84 
 &rst iat=  1406, 1413, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 TYR HE1 HE2    76 GLU HB2 4.07 
 &rst iat= -1, 1248, r1= 4.07, r2= 4.57, r3= 4.57, r4= 5.07,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    76 GLU HG3 4.24 
 &rst iat= -1, 1252, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HD 2HD    66 LYS H 5.34 
 &rst iat= 1058, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 0,  igr2= 1069, 1068,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID HD2  116 ILE HG12 4.05 
 &rst iat=  1933, 1947, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS 3HD 2HD    63 GLN HE22 4.19 
 &rst iat= 1019, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 1069, 1068,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    71 PHE HB3 3.64 
 &rst iat= -1, 1152, r1= 3.59, r2= 4.09, r3= 4.09, r4= 4.59,
 igr1= 572, 563,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    113 PHE HD1 HD2  4.35  
 &rst iat= -1, -1, r1= 4.72, r2= 5.22, r3= 9.62, r4= 10.12,
 igr1= 1829, 1828, 1827,   igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    130 LYS HB2 4.56 
 &rst iat= -1, 2152, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    113 PHE HE2 HE1  3.83  
 &rst iat= -1, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 1829, 1828, 1827,   igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU HG  52 PHE HZ 4.45 
 &rst iat=  319, 838, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE H  86 GLN HB3 6.50 
 &rst iat=  1387, 1430, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  86 GLN HB3 6.50 
 &rst iat=  1406, 1430, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 GLN HE22  29 LEU HG 4.63 
 &rst iat=  426, 437, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS H  50 LYS HG3 4.60 
 &rst iat=  785, 793, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS H  54 LYS HG2 3.99 
 &rst iat=  863, 870, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    75 LYS 3HG 2HG  4.83  
 &rst iat= -1, -1, r1= 4.92, r2= 5.42, r3= 9.82, r4= 10.32,
 igr1= 1155, 1163,   igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    22 LEU HB2 4.83 
 &rst iat= 316, -1, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU HB2  52 PHE HZ 5.27 
 &rst iat=  316, 838, r1= 4.77, r2= 5.27,
 r3= 5.27, r4= 5.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HE1 HE2    89 SER HA 4.29 
 &rst iat= 1487, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    75 LYS 3HG 2HG  4.46  
 &rst iat= -1, -1, r1= 4.51, r2= 5.01, r3= 9.41, r4= 9.91,
 igr1= 565, 570,   igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    130 LYS HB3 5.21 
 &rst iat= -1, 2153, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    130 LYS HB3 4.45 
 &rst iat= -1, 2153, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 ALA 1HB 3HB 2HB    8 ALA H 3.27 
 &rst iat= 106, -1, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 0,  igr2= 110, 112, 111,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 ALA 1HB 3HB 2HB    9 THR H 3.85 
 &rst iat= -1, 116, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 110, 112, 111,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU HG  122 LYS H 5.16 
 &rst iat=  2015, 2027, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 ALA 2HB 3HB 1HB    6 GLN H 4.31 
 &rst iat= -1, 69, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 64, 65, 63,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  5 ALA 2HB 3HB 1HB    5 ALA H 3.77 
 &rst iat= 59, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 64, 65, 63,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    41 LYS HD3 4.64 
 &rst iat= -1, 644, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    71 PHE HE2 HE1  4.19  
 &rst iat= -1, -1, r1= 5.15, r2= 5.65, r3= 5.65, r4= 6.15,
 igr1= 1086, 1088, 1087,   igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    72 TYR HE1 HE2  3.62  
 &rst iat= -1, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 1086, 1088, 1087,   igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    76 GLU HG2 4.24 
 &rst iat= -1, 1251, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID H  116 ILE HG13 4.26 
 &rst iat=  1920, 1948, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    56 LEU HG 5.05 
 &rst iat= -1, 906, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    56 LEU HG 5.33 
 &rst iat= -1, 906, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 840, 836,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    56 LEU HG 4.50 
 &rst iat= 906, -1, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 0,  igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD1 3HD1 2HD1    80 LEU H 4.25 
 &rst iat= 1314, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1323, 1325, 1324,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD2 2HD2 3HD2    81 ILE H 5.04 
 &rst iat= -1, 1333, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 1327, 1328, 1329,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    129 LEU H 4.32 
 &rst iat= 2129, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 2143, 2142, 2144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    64 ILE HG12 4.47 
 &rst iat= -1, 1033, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HZ  64 ILE HG12 3.89 
 &rst iat=  381, 1033, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    126 VAL 1HG1 3HG1 2HG1  3.40  
 &rst iat= -1, -1, r1= 3.58, r2= 4.08, r3= 8.48, r4= 8.98,
 igr1= 1894, 1902,   igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    51 LEU HB2 4.69 
 &rst iat= 811, -1, r1= 4.76, r2= 5.26, r3= 5.26, r4= 5.76,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU HB2  113 PHE HZ 4.89 
 &rst iat=  1410, 1898, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HB2  69 HID H 4.45 
 &rst iat=  1103, 1118, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    51 LEU HB2 4.18 
 &rst iat= 811, -1, r1= 4.19, r2= 4.69, r3= 4.69, r4= 5.19,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    88 LEU 3HD2 2HD2 1HD2  4.26  
 &rst iat= -1, -1, r1= 4.62, r2= 5.12, r3= 9.52, r4= 10.02,
 igr1= 758, 767,   igr2= 1481, 1480, 1479,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    88 LEU 3HD2 2HD2 1HD2  4.17  
 &rst iat= -1, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 765, 760,   igr2= 1481, 1480, 1479,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    41 LYS HD2 4.64 
 &rst iat= -1, 643, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    116 ILE 1HG2 3HG2 2HG2  3.94  
 &rst iat= -1, -1, r1= 4.23, r2= 4.73, r3= 9.13, r4= 9.63,
 igr1= 1368, 1360,   igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    116 ILE 1HG2 3HG2 2HG2  4.16  
 &rst iat= -1, -1, r1= 4.50, r2= 5.00, r3= 9.40, r4= 9.90,
 igr1= 1894, 1902,   igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    91 LEU 1HD2 2HD2 3HD2  3.65  
 &rst iat= -1, -1, r1= 3.88, r2= 4.38, r3= 8.78, r4= 9.28,
 igr1= 842, 834,   igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    91 LEU 1HD2 2HD2 3HD2  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 840, 836,   igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    36 LEU H 4.88 
 &rst iat= 536, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    66 LYS H 6.02 
 &rst iat= 1058, -1, r1= 6.73, r2= 7.23, r3= 7.23, r4= 7.73,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    42 GLN HE22 5.41 
 &rst iat= -1, 668, r1= 6.00, r2= 6.50, r3= 6.50, r4= 7.00,
 igr1= 174, 173, 175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    43 ILE H 5.13 
 &rst iat= -1, 672, r1= 5.66, r2= 6.16, r3= 6.16, r4= 6.66,
 igr1= 220, 221, 222,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE H  81 ILE HG12 3.88 
 &rst iat=  1333, 1343, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    60 VAL 1HG2 2HG2 3HG2  3.43  
 &rst iat= -1, -1, r1= 3.62, r2= 4.12, r3= 8.52, r4= 9.02,
 igr1= 377, 385,   igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    60 VAL 1HG2 2HG2 3HG2  4.27  
 &rst iat= -1, -1, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 840, 836,   igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    52 PHE HZ 4.60 
 &rst iat= 838, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    84 ILE 3HG2 2HG2 1HG2  3.83  
 &rst iat= -1, -1, r1= 4.10, r2= 4.60, r3= 9.00, r4= 9.50,
 igr1= 758, 767,   igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    64 ILE 3HG2 2HG2 1HG2  3.55  
 &rst iat= -1, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 765, 760,   igr2= 1031, 1030, 1029,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    88 LEU H 4.32 
 &rst iat= -1, 1466, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    68 LEU H 4.40 
 &rst iat= -1, 1099, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    26 PHE HZ 4.15 
 &rst iat= 381, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1031, 1030, 1029,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS HG3  131 LYS H 4.05 
 &rst iat=  2156, 2170, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HD2 HD1    88 LEU 3HD1 2HD1 1HD1  3.84  
 &rst iat= -1, -1, r1= 4.11, r2= 4.61, r3= 9.01, r4= 9.51,
 igr1= 988, 980,   igr2= 1477, 1476, 1475,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    88 LEU 3HD1 2HD1 1HD1  4.26  
 &rst iat= -1, -1, r1= 4.62, r2= 5.12, r3= 9.52, r4= 10.02,
 igr1= 758, 767,   igr2= 1477, 1476, 1475,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    133 TYR HD2 HD1  4.82  
 &rst iat= -1, -1, r1= 5.29, r2= 5.79, r3= 10.19, r4= 10.69,
 igr1= 2139, 2138, 2140,   igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    88 LEU 3HD1 2HD1 1HD1  4.17  
 &rst iat= -1, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 765, 760,   igr2= 1477, 1476, 1475,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS H  130 LYS HG3 4.37 
 &rst iat=  2148, 2156, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    100 PHE HD1 HD2  4.99  
 &rst iat= -1, -1, r1= 5.49, r2= 5.99, r3= 10.39, r4= 10.89,
 igr1= 1629, 1631, 1630,   igr2= 1676, 1684,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    64 ILE 3HD1 2HD1 1HD1  3.69  
 &rst iat= -1, -1, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 765, 760,   igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    97 ALA 1HB 3HB 2HB  4.00  
 &rst iat= -1, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 982, 986,   igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    48 TYR HH 4.30 
 &rst iat= -1, 763, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    48 TYR HD1 HD2  3.58  
 &rst iat= -1, -1, r1= 3.80, r2= 4.30, r3= 8.70, r4= 9.20,
 igr1= 679, 678, 680,   igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    64 ILE 3HD1 2HD1 1HD1  4.08  
 &rst iat= -1, -1, r1= 4.40, r2= 4.90, r3= 9.30, r4= 9.80,
 igr1= 758, 767,   igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    47 LEU H 4.64 
 &rst iat= -1, 731, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    48 TYR H 4.97 
 &rst iat= -1, 750, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    64 ILE 3HD1 2HD1 1HD1  4.12  
 &rst iat= -1, -1, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 383, 379,   igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    69 HID HD2 3.76 
 &rst iat= 1131, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    115 HID HD2 4.50 
 &rst iat= -1, 1933, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 1880, 1882, 1881,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS HG2  131 LYS H 4.20 
 &rst iat=  2155, 2170, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    22 LEU H 4.25 
 &rst iat= 312, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 326, 325, 327,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    26 PHE HD1 HD2  3.34  
 &rst iat= -1, -1, r1= 3.51, r2= 4.01, r3= 8.41, r4= 8.91,
 igr1= 326, 325, 327,   igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    82 PHE HZ 3.79 
 &rst iat= 1364, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    51 LEU HB3 4.40 
 &rst iat= 812, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    116 ILE 2HD1 1HD1 3HD1  5.02  
 &rst iat= -1, -1, r1= 6.27, r2= 6.77, r3= 6.77, r4= 7.27,
 igr1= 1362, 1366,   igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    121 LEU 3HD1 1HD1 2HD1  5.52  
 &rst iat= -1, -1, r1= 6.94, r2= 7.44, r3= 7.44, r4= 7.94,
 igr1= 1362, 1366,   igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    115 HID HD2 4.53 
 &rst iat= 1933, -1, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    51 LEU HB3 4.40 
 &rst iat= 812, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    67 ILE H 5.23 
 &rst iat= 1080, -1, r1= 5.78, r2= 6.28, r3= 6.28, r4= 6.78,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    113 PHE H 4.25 
 &rst iat= 1886, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID HE1  108 ILE HG12 4.35 
 &rst iat=  1128, 1814, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    69 HID HD2 3.33 
 &rst iat= 1131, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    98 VAL 2HG1 1HG1 3HG1  4.45  
 &rst iat= -1, -1, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 1586, 1590,   igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    41 LYS H 5.47 
 &rst iat= 633, -1, r1= 6.07, r2= 6.57, r3= 6.57, r4= 7.07,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    43 ILE 2HD1 1HD1 3HD1  4.36  
 &rst iat= -1, -1, r1= 4.74, r2= 5.24, r3= 9.64, r4= 10.14,
 igr1= 377, 385,   igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    72 TYR HD1 HD2  4.60  
 &rst iat= -1, -1, r1= 5.02, r2= 5.52, r3= 9.92, r4= 10.42,
 igr1= 1112, 1114, 1113,   igr2= 1175, 1184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    43 ILE 2HD1 1HD1 3HD1  3.94  
 &rst iat= -1, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 608, 603,   igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    68 LEU H 3.95 
 &rst iat= 1099, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1112, 1114, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    112 LEU H 4.63 
 &rst iat= -1, 1867, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    66 LYS H 4.59 
 &rst iat= 1058, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    69 HID HD2 3.68 
 &rst iat= 1131, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    115 HID HD2 4.03 
 &rst iat= -1, 1933, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    69 HID HE1 4.78 
 &rst iat= 1128, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    69 HID H 4.97 
 &rst iat= 1118, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    61 PHE HZ 4.92 
 &rst iat= 984, -1, r1= 5.41, r2= 5.91, r3= 5.91, r4= 6.41,
 igr1= 0,  igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    60 VAL 2HG1 1HG1 3HG1  3.37  
 &rst iat= -1, -1, r1= 3.55, r2= 4.05, r3= 8.45, r4= 8.95,
 igr1= 377, 385,   igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    133 TYR HE1 HE2  4.05  
 &rst iat= -1, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 1054, 1052, 1053,   igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    52 PHE HZ 4.58 
 &rst iat= -1, 838, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 816, 818, 817,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    18 ASN HD21 4.81 
 &rst iat= 259, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    36 LEU 3HD1 2HD1 1HD1  4.67  
 &rst iat= -1, -1, r1= 5.80, r2= 6.30, r3= 6.30, r4= 6.80,
 igr1= 383, 379,   igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    39 TYR H 4.59 
 &rst iat= -1, 593, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE HG12  115 HID HD2 4.24 
 &rst iat=  1198, 1933, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    115 HID HE1 3.23 
 &rst iat= -1, 1930, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    115 HID HD2 3.96 
 &rst iat= -1, 1933, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    52 PHE HA 3.41 
 &rst iat= 828, -1, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    52 PHE HA 4.57 
 &rst iat= 828, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN HA  51 LEU H 5.59 
 &rst iat=  252, 807, r1= 5.09, r2= 5.59,
 r3= 5.59, r4= 6.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HD1 HD2    48 TYR HH 4.28 
 &rst iat= -1, 763, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    114 ASN H 4.49 
 &rst iat= -1, 1906, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ARG H  95 ASP H 4.94 
 &rst iat=  1552, 1596, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    64 ILE H 3.91 
 &rst iat= -1, 1023, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    39 TYR H 4.25 
 &rst iat= 593, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  4 MET H  5 ALA H 4.60 
 &rst iat=  42, 59, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID HD2  112 LEU H 4.04 
 &rst iat=  1131, 1867, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID HD2  116 ILE H 4.37 
 &rst iat=  1933, 1937, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 HID H  69 HID HD2 4.69 
 &rst iat=  1118, 1131, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 ASN HD21  56 LEU H 4.89 
 &rst iat=  894, 899, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE H  115 HID H 5.04 
 &rst iat=  1886, 1920, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    113 PHE H 4.61 
 &rst iat= 1886, -1, r1= 4.67, r2= 5.17, r3= 5.17, r4= 5.67,
 igr1= 0,  igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG H  135 GLY H 4.47 
 &rst iat=  2192, 2244, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR H  74 GLU H 4.34 
 &rst iat=  1167, 1207, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL H  129 LEU H 5.09 
 &rst iat=  2083, 2129, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU H  132 ARG H 5.54 
 &rst iat=  2129, 2192, r1= 5.04, r2= 5.54,
 r3= 5.54, r4= 6.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG H  30 LYS H 5.74 
 &rst iat=  389, 449, r1= 5.24, r2= 5.74,
 r3= 5.74, r4= 6.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HD2 HD1    61 PHE HZ 3.95 
 &rst iat= -1, 984, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    42 GLN HE22 3.42 
 &rst iat= -1, 668, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 601, 610,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    61 PHE HZ 3.83 
 &rst iat= 984, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS H  53 GLN H 5.51 
 &rst iat=  785, 846, r1= 5.01, r2= 5.51,
 r3= 5.51, r4= 6.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 PHE HD1 HD2    100 PHE H 3.75 
 &rst iat= 1668, -1, r1= 3.71, r2= 4.21, r3= 4.21, r4= 4.71,
 igr1= 0,  igr2= 1676, 1684,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU H  81 ILE H 2.83 
 &rst iat=  1314, 1333, r1= 2.33, r2= 2.83,
 r3= 2.83, r4= 3.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 PHE HD1 HD2    21 GLN H 4.37 
 &rst iat= -1, 295, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 283, 291,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    113 PHE HE2 HE1  4.37  
 &rst iat= -1, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 1362, 1366,   igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    61 PHE H 4.23 
 &rst iat= 972, -1, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 0,  igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN H  18 ASN HD21 3.06 
 &rst iat=  250, 259, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLN H  38 GLN HE21 3.93 
 &rst iat=  576, 588, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    113 PHE HE2 HE1  4.64  
 &rst iat= -1, -1, r1= 4.71, r2= 5.21, r3= 9.61, r4= 10.11,
 igr1= 1368, 1360,   igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    63 GLN HE21 4.38 
 &rst iat= -1, 1018, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    52 PHE HD2 HD1  4.11  
 &rst iat= -1, -1, r1= 4.11, r2= 4.61, r3= 9.01, r4= 9.51,
 igr1= 758, 767,   igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    37 TYR H 4.34 
 &rst iat= 555, -1, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 0,  igr2= 572, 563,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    38 GLN HE22 4.50 
 &rst iat= -1, 589, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 572, 563,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    88 LEU H 3.78 
 &rst iat= -1, 1466, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    38 GLN HE21 3.67 
 &rst iat= -1, 588, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 572, 563,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    72 TYR H 5.54 
 &rst iat= 1167, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    72 TYR HE1 HE2  3.61  
 &rst iat= -1, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 565, 570,   igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    40 LEU H 4.04 
 &rst iat= -1, 614, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 601, 610,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLU H  52 PHE HZ 5.36 
 &rst iat=  331, 838, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HE1 HE2    113 PHE HZ 4.78 
 &rst iat= -1, 1898, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HD1 HD2    113 PHE HZ 3.89 
 &rst iat= -1, 1898, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 1894, 1902,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID H  115 HID HD2 4.60 
 &rst iat=  1920, 1933, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 ILE H  39 TYR HH 6.50 
 &rst iat=  207, 606, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU H  39 TYR HH 5.53 
 &rst iat=  312, 606, r1= 5.03, r2= 5.53,
 r3= 5.53, r4= 6.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    39 TYR HH 5.07 
 &rst iat= -1, 606, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    39 TYR HH 3.51 
 &rst iat= -1, 606, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 608, 603,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE H  39 TYR HH 5.40 
 &rst iat=  369, 606, r1= 4.90, r2= 5.40,
 r3= 5.40, r4= 5.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  79 LEU H 5.16 
 &rst iat=  1259, 1295, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HD2 HD1    133 TYR HH 5.16 
 &rst iat= -1, 2229, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HZ  133 TYR HH 5.43 
 &rst iat=  984, 2229, r1= 4.93, r2= 5.43,
 r3= 5.43, r4= 5.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  3 HID H  4 MET H 5.30 
 &rst iat=  25, 42, r1= 4.80, r2= 5.30,
 r3= 5.30, r4= 5.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE H  44 GLU H 4.67 
 &rst iat=  672, 691, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 ASN HD21  63 GLN H 5.03 
 &rst iat=  1001, 1006, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  63 GLN HE22 5.94 
 &rst iat=  1006, 1019, r1= 5.44, r2= 5.94,
 r3= 5.94, r4= 6.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HE2 HE1    63 GLN H 5.10 
 &rst iat= -1, 1006, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    41 LYS H 6.48 
 &rst iat= -1, 633, r1= 6.77, r2= 7.27, r3= 7.27, r4= 7.77,
 igr1= 601, 610,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS H  42 GLN HE21 6.50 
 &rst iat=  633, 667, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HE2 HE1    67 ILE H 6.50 
 &rst iat= -1, 1080, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    20 PHE H 5.84 
 &rst iat= 275, -1, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    72 TYR HH 5.27 
 &rst iat= -1, 1180, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU HG  72 TYR HH 6.20 
 &rst iat=  621, 1180, r1= 5.70, r2= 6.20,
 r3= 6.20, r4= 6.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LYS 2HB 3HB    102 SER H 6.50 
 &rst iat= 1705, -1, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 0,  igr2= 1764, 1765,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP H  73 ILE HB 6.27 
 &rst iat=  1135, 1192, r1= 5.77, r2= 6.27,
 r3= 6.27, r4= 6.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HG  90 GLU HG3 5.07 
 &rst iat=  1492, 1504, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HG  90 GLU HG2 5.07 
 &rst iat=  1492, 1503, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HB2  89 SER HG 5.93 
 &rst iat=  1429, 1492, r1= 5.43, r2= 5.93,
 r3= 5.93, r4= 6.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HB3  89 SER HG 5.29 
 &rst iat=  1430, 1492, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    89 SER HG 5.21 
 &rst iat= 1492, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE HB  115 HID HD2 5.43 
 &rst iat=  1192, 1933, r1= 4.93, r2= 5.43,
 r3= 5.43, r4= 5.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID HD2  116 ILE HG13 4.71 
 &rst iat=  1933, 1948, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    44 GLU HA 4.63 
 &rst iat= -1, 693, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD1 3HD1 2HD1    80 LEU HA 3.37 
 &rst iat= 1316, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 1323, 1325, 1324,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    22 LEU HA 4.29 
 &rst iat= 314, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 326, 325, 327,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU 3HD2 1HD2 2HD2    47 LEU HA 3.99 
 &rst iat= 733, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 746, 744, 745,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 THR 3HG2 2HG2 1HG2    9 THR HA 3.58 
 &rst iat= 118, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 124, 123, 122,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    121 LEU HA 3.99 
 &rst iat= 2010, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    29 LEU HA 3.92 
 &rst iat= 432, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    56 LEU HA 4.13 
 &rst iat= 901, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    13 PRO HD3 4.21 
 &rst iat= 181, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    10 THR HB 3.77 
 &rst iat= 134, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    58 PRO HA 3.63 
 &rst iat= 940, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    33 PRO HA 3.79 
 &rst iat= 503, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    79 LEU HA 3.46 
 &rst iat= 1297, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    79 LEU HA 3.61 
 &rst iat= 1297, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    109 ALA HA 3.39 
 &rst iat= 1825, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    69 HID HA 3.68 
 &rst iat= 1120, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    68 LEU HA 4.63 
 &rst iat= -1, 1101, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    105 GLU HA 3.46 
 &rst iat= 1747, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    36 LEU HA 4.10 
 &rst iat= 538, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    51 LEU HA 4.45 
 &rst iat= 809, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    43 ILE HA 4.47 
 &rst iat= -1, 674, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 220, 221, 222,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    32 SER HB2 4.60 
 &rst iat= -1, 486, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU HG  94 PHE HA 4.93 
 &rst iat=  906, 1578, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU 3HD1 1HD1 2HD1    64 ILE HA 4.09 
 &rst iat= -1, 1025, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 625, 623, 624,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    26 PHE HB2 3.65 
 &rst iat= 373, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE HA  81 ILE HG12 4.17 
 &rst iat=  1335, 1343, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    81 ILE HA 3.98 
 &rst iat= -1, 1335, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 1112, 1114, 1113,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    81 ILE HA 3.98 
 &rst iat= -1, 1335, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 1108, 1110, 1109,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    13 PRO HD2 4.21 
 &rst iat= 180, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE HG12  115 HID HB3 4.75 
 &rst iat=  1198, 1925, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    65 VAL HA 4.91 
 &rst iat= 1044, -1, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 0,  igr2= 1112, 1114, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    65 VAL HA 4.37 
 &rst iat= 1044, -1, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    52 PHE HB3 4.03 
 &rst iat= 831, -1, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    73 ILE HA 3.65 
 &rst iat= 1190, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    57 ASP HB3 4.54 
 &rst iat= 923, -1, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    72 TYR HB2 4.05 
 &rst iat= 1171, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    57 ASP HB2 3.66 
 &rst iat= 922, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    63 GLN 2HG 3HG  4.18  
 &rst iat= -1, -1, r1= 4.52, r2= 5.02, r3= 9.42, r4= 9.92,
 igr1= 547, 546, 545,   igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD1 3HD1 2HD1    80 LEU HB3 3.95 
 &rst iat= 1319, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1323, 1325, 1324,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    64 ILE HG13 3.79 
 &rst iat= -1, 1034, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 963, 962, 964,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    81 ILE HB 4.44 
 &rst iat= 1337, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    16 PRO HB2 4.85 
 &rst iat= -1, 233, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    68 LEU HB3 4.18 
 &rst iat= 1104, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    112 LEU HB2 3.56 
 &rst iat= 1871, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    78 PRO HB2 4.96 
 &rst iat= 1288, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    78 PRO HB2 3.96 
 &rst iat= 1288, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD1 1HD1 3HD1    38 GLN HB2 3.56 
 &rst iat= -1, 580, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 170, 169, 171,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU 2HD2 1HD2 3HD2    38 GLN HB2 3.56 
 &rst iat= -1, 580, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 174, 173, 175,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    35 MET 1HE 3HE 2HE  3.94  
 &rst iat= -1, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 136, 137, 138,   igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    35 MET 1HE 3HE 2HE  3.95  
 &rst iat= -1, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 441, 439, 440,   igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    16 PRO HG2 4.27 
 &rst iat= 230, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    47 LEU HB2 4.59 
 &rst iat= 735, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HB 3HB    51 LEU HG 4.15 
 &rst iat= -1, 814, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 789, 790,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD2 3HD2 2HD2    84 ILE HB 4.81 
 &rst iat= -1, 1391, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 1112, 1114, 1113,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD1 3HD1 2HD1    80 LEU HB2 3.95 
 &rst iat= 1318, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1323, 1325, 1324,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    22 LEU HB3 3.86 
 &rst iat= 317, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 0,  igr2= 322, 321, 323,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    116 ILE HG12 3.92 
 &rst iat= -1, 1947, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    47 LEU HB3 3.99 
 &rst iat= 736, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    91 LEU HB2 3.81 
 &rst iat= 1515, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    15 ILE HB 3.30 
 &rst iat= 211, -1, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 0,  igr2= 220, 221, 222,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    121 LEU HB2 3.87 
 &rst iat= -1, 2012, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 1943, 1945, 1944,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    22 LEU HB2 4.09 
 &rst iat= 316, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 326, 325, 327,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    121 LEU HB3 3.94 
 &rst iat= 2013, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    64 ILE HG12 3.77 
 &rst iat= -1, 1033, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    51 LEU HB2 3.77 
 &rst iat= 811, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    68 LEU HB2 4.18 
 &rst iat= 1103, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    126 VAL 1HG1 3HG1 2HG1  3.61  
 &rst iat= -1, -1, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 1943, 1945, 1944,   igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    126 VAL 1HG2 3HG2 2HG2  3.54  
 &rst iat= -1, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 1943, 1945, 1944,   igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    116 ILE 1HG2 3HG2 2HG2  4.68  
 &rst iat= -1, -1, r1= 6.25, r2= 6.75, r3= 6.75, r4= 7.25,
 igr1= 1341, 1340, 1339,   igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    112 LEU HB3 3.95 
 &rst iat= 1872, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    81 ILE HG12 3.57 
 &rst iat= -1, 1343, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    112 LEU 1HD1 3HD1 2HD1  3.84  
 &rst iat= -1, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 1341, 1340, 1339,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    116 ILE HG13 4.35 
 &rst iat= -1, 1948, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    112 LEU 1HD2 3HD2 2HD2  3.38  
 &rst iat= -1, -1, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 1341, 1340, 1339,   igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    85 LEU 3HD2 2HD2 1HD2  4.50  
 &rst iat= -1, -1, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 1048, 1049, 1050,   igr2= 1421, 1420, 1419,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    108 ILE 3HD1 2HD1 1HD1  4.44  
 &rst iat= -1, -1, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 1048, 1049, 1050,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    29 LEU 3HD2 1HD2 2HD2  3.89  
 &rst iat= -1, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 136, 137, 138,   igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    116 ILE 2HD1 1HD1 3HD1  3.40  
 &rst iat= -1, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 1341, 1340, 1339,   igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    51 LEU HB3 3.77 
 &rst iat= 812, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    112 LEU 1HD2 3HD2 2HD2  4.12  
 &rst iat= -1, -1, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 1812, 1811, 1810,   igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    116 ILE 2HD1 1HD1 3HD1  4.38  
 &rst iat= -1, -1, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 1880, 1882, 1881,   igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    108 ILE 3HG2 2HG2 1HG2  3.09  
 &rst iat= -1, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 1048, 1049, 1050,   igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE 3HD1 2HD1 1HD1  3.04  
 &rst iat= -1, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 1812, 1811, 1810,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    108 ILE 3HG2 2HG2 1HG2  4.40  
 &rst iat= -1, -1, r1= 5.85, r2= 6.35, r3= 6.35, r4= 6.85,
 igr1= 1054, 1052, 1053,   igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    51 LEU 1HD1 3HD1 2HD1  4.42  
 &rst iat= -1, -1, r1= 5.87, r2= 6.37, r3= 6.37, r4= 6.87,
 igr1= 686, 685, 687,   igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    43 ILE HG12 3.62 
 &rst iat= -1, 682, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    51 LEU 1HD1 3HD1 2HD1  3.22  
 &rst iat= -1, -1, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 679, 678, 680,   igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    73 ILE HG12 3.91 
 &rst iat= -1, 1198, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 1194, 1195, 1196,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    68 LEU 1HD1 3HD1 2HD1  3.90  
 &rst iat= -1, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 1031, 1030, 1029,   igr2= 1108, 1110, 1109,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    72 TYR HH 4.22 
 &rst iat= 1180, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD2 1HD2 3HD2    133 TYR HH 5.72 
 &rst iat= -1, 2229, r1= 6.37, r2= 6.87, r3= 6.87, r4= 7.37,
 igr1= 2143, 2142, 2144,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU HA  86 GLN H 4.21 
 &rst iat=  1374, 1425, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HH  64 ILE HG12 4.80 
 &rst iat=  763, 1033, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA 3HB 2HB 1HB    106 LYS H 5.16 
 &rst iat= 1760, -1, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 0,  igr2= 1829, 1828, 1827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU HB3  39 TYR H 4.89 
 &rst iat=  165, 593, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    83 GLU H 6.16 
 &rst iat= 1372, -1, r1= 6.90, r2= 7.40, r3= 7.40, r4= 7.90,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU H  83 GLU HG2 4.19 
 &rst iat=  1372, 1379, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET 1HE 3HE 2HE    12 LEU H 3.58 
 &rst iat= 160, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE H  116 ILE HG12 4.43 
 &rst iat=  1352, 1947, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE HA  69 HID H 5.02 
 &rst iat=  1082, 1118, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    56 LEU H 4.49 
 &rst iat= 899, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 ARG 3HD 2HD    56 LEU H 4.72 
 &rst iat= 899, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 1563, 1562,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU HB3  36 LEU H 4.63 
 &rst iat=  435, 536, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    111 ALA H 5.72 
 &rst iat= -1, 1857, r1= 6.37, r2= 6.87, r3= 6.87, r4= 7.37,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    111 ALA H 4.58 
 &rst iat= -1, 1857, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 1812, 1811, 1810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID H  116 ILE HB 5.34 
 &rst iat=  1920, 1941, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    29 LEU H 4.64 
 &rst iat= 430, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    60 VAL H 5.44 
 &rst iat= -1, 956, r1= 6.03, r2= 6.53, r3= 6.53, r4= 7.03,
 igr1= 914, 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER 3HB 2HB    55 ASN H 4.90 
 &rst iat= -1, 885, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 269, 268,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    18 ASN HD22 4.22 
 &rst iat= -1, 260, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 244, 246, 245,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 PRO HD2  87 ARG HE 4.81 
 &rst iat=  772, 1455, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP HB3  35 MET H 4.03 
 &rst iat=  512, 519, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    133 TYR H 6.17 
 &rst iat= -1, 2216, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 1699, 1701, 1700,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    108 ILE H 4.93 
 &rst iat= -1, 1804, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    61 PHE HZ 4.60 
 &rst iat= 984, -1, r1= 5.02, r2= 5.52, r3= 5.52, r4= 6.02,
 igr1= 0,  igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG HB3  110 ARG HE 4.64 
 &rst iat=  1838, 1846, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    61 PHE HZ 3.63 
 &rst iat= 984, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    61 PHE HZ 4.41 
 &rst iat= 984, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN HA  86 GLN HE21 4.32 
 &rst iat=  1427, 1437, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HB3  28 GLN HE21 4.34 
 &rst iat=  362, 425, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HE1 HE2    61 PHE HA 4.55 
 &rst iat= 974, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 0,  igr2= 982, 986,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    65 VAL 3HG2 1HG2 2HG2  4.02  
 &rst iat= -1, -1, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 982, 986,   igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG HB2  27 ARG HE 4.53 
 &rst iat=  393, 402, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    109 ALA HA 5.34 
 &rst iat= 1825, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 0,  igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    40 LEU 3HD1 1HD1 2HD1  5.75  
 &rst iat= -1, -1, r1= 6.41, r2= 6.91, r3= 11.31, r4= 11.81,
 igr1= 377, 385,   igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    88 LEU HA 4.50 
 &rst iat= -1, 1468, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    129 LEU HB3 4.45 
 &rst iat= -1, 2134, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    98 VAL 2HG1 1HG1 3HG1  5.40  
 &rst iat= -1, -1, r1= 5.99, r2= 6.49, r3= 10.89, r4= 11.39,
 igr1= 988, 980,   igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    98 VAL 2HG2 1HG2 3HG2  3.75  
 &rst iat= -1, -1, r1= 4.00, r2= 4.50, r3= 8.90, r4= 9.40,
 igr1= 988, 980,   igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 ASP HB2  71 PHE HZ 4.47 
 &rst iat=  511, 1159, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 PRO HG3  71 PHE HZ 5.20 
 &rst iat=  498, 1159, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO HB2  50 LYS H 4.33 
 &rst iat=  778, 785, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    126 VAL 1HG1 3HG1 2HG1  4.49  
 &rst iat= -1, -1, r1= 4.89, r2= 5.39, r3= 9.79, r4= 10.29,
 igr1= 1368, 1360,   igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD2 2HD2 3HD2    50 LYS H 6.29 
 &rst iat= 785, -1, r1= 7.05, r2= 7.55, r3= 7.55, r4= 8.05,
 igr1= 0,  igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    84 ILE HA 4.58 
 &rst iat= -1, 1389, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 1HD1 3HD1 2HD1    72 TYR HD1 HD2  4.60  
 &rst iat= -1, -1, r1= 5.02, r2= 5.52, r3= 9.92, r4= 10.42,
 igr1= 1108, 1110, 1109,   igr2= 1175, 1184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    72 TYR HA 4.88 
 &rst iat= 1169, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    40 LEU HA 4.77 
 &rst iat= -1, 616, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    40 LEU HA 5.13 
 &rst iat= -1, 616, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 601, 610,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    26 PHE HA 4.87 
 &rst iat= 371, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 383, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    26 PHE HA 5.60 
 &rst iat= 371, -1, r1= 5.79, r2= 6.29, r3= 6.29, r4= 6.79,
 igr1= 0,  igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    40 LEU HG 4.49 
 &rst iat= -1, 621, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    89 SER HA 5.31 
 &rst iat= 1487, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 1586, 1590,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    98 VAL HB 5.49 
 &rst iat= -1, 1639, r1= 5.66, r2= 6.16, r3= 6.16, r4= 6.66,
 igr1= 1586, 1590,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    48 TYR HE2 HE1  4.38  
 &rst iat= -1, -1, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 686, 685, 687,   igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    98 VAL 2HG2 1HG2 3HG2  4.63  
 &rst iat= -1, -1, r1= 5.06, r2= 5.56, r3= 9.96, r4= 10.46,
 igr1= 1592, 1584,   igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HZ  133 TYR HB2 5.40 
 &rst iat=  1898, 2220, r1= 4.90, r2= 5.40,
 r3= 5.40, r4= 5.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    94 PHE HZ 4.84 
 &rst iat= 1588, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 0,  igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 SER HA  35 MET HG2 4.59 
 &rst iat=  484, 526, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 THR 3HG2 2HG2 1HG2    104 THR HA 2.91 
 &rst iat= 1733, -1, r1= 2.99, r2= 3.49, r3= 3.49, r4= 3.99,
 igr1= 0,  igr2= 1739, 1738, 1737,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    116 ILE HA 3.47 
 &rst iat= 1939, -1, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    84 ILE HA 3.50 
 &rst iat= 1389, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 VAL 3HG1 1HG1 2HG1    11 VAL HA 3.33 
 &rst iat= 146, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 152, 150, 151,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    86 GLN HA 3.67 
 &rst iat= 1427, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 2139, 2138, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HA  51 LEU HB3 3.90 
 &rst iat=  266, 812, r1= 3.40, r2= 3.90,
 r3= 3.90, r4= 4.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    116 ILE HA 3.78 
 &rst iat= 1939, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    98 VAL HA 3.38 
 &rst iat= 1637, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    19 SER HA 4.59 
 &rst iat= 266, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    26 PHE HA 3.97 
 &rst iat= 371, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    71 PHE HA 3.91 
 &rst iat= 1149, -1, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 0,  igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    89 SER HB3 4.18 
 &rst iat= 1490, -1, r1= 4.19, r2= 4.69, r3= 4.69, r4= 5.19,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    38 GLN HA 4.90 
 &rst iat= -1, 578, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HZ  133 TYR HB3 5.60 
 &rst iat=  1898, 2221, r1= 5.10, r2= 5.60,
 r3= 5.60, r4= 6.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU HB2  133 TYR HH 4.80 
 &rst iat=  1470, 2229, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HB3  133 TYR HH 4.98 
 &rst iat=  1411, 2229, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 ASN HA  114 ASN HD21 4.77 
 &rst iat=  1908, 1915, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN HE21  54 LYS H 6.37 
 &rst iat=  858, 863, r1= 5.87, r2= 6.37,
 r3= 6.37, r4= 6.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    67 ILE H 6.34 
 &rst iat= 1080, -1, r1= 6.62, r2= 7.12, r3= 7.12, r4= 7.62,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    88 LEU H 5.21 
 &rst iat= -1, 1466, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HA  39 TYR H 5.38 
 &rst iat=  557, 593, r1= 4.88, r2= 5.38,
 r3= 5.38, r4= 5.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HE2 HE1    129 LEU HG 4.64 
 &rst iat= -1, 2136, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD2 2HD2 1HD2    86 GLN H 4.77 
 &rst iat= -1, 1425, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 1421, 1420, 1419,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD1 2HD1 1HD1    112 LEU 1HD1 3HD1 2HD1  3.49  
 &rst iat= -1, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1417, 1416, 1415,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    39 TYR HB2 4.62 
 &rst iat= -1, 597, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    73 ILE HA 5.40 
 &rst iat= 1190, -1, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    26 PHE HB3 4.79 
 &rst iat= 374, -1, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    16 PRO HD3 3.99 
 &rst iat= -1, 228, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 213, 215, 214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    134 GLY HA2 4.84 
 &rst iat= -1, 2239, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    61 PHE HA 4.28 
 &rst iat= -1, 974, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 963, 962, 964,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    61 PHE HA 4.83 
 &rst iat= 974, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 0,  igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    33 PRO HA 4.17 
 &rst iat= 503, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    72 TYR HB3 4.21 
 &rst iat= 1172, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    113 PHE HA 4.18 
 &rst iat= 1888, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    48 TYR HA 4.09 
 &rst iat= 752, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD1 2HD1 1HD1    85 LEU HA 4.20 
 &rst iat= 1408, -1, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 0,  igr2= 1417, 1416, 1415,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    18 ASN HA 3.84 
 &rst iat= 252, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    82 PHE HB3 4.92 
 &rst iat= 1357, -1, r1= 5.41, r2= 5.91, r3= 5.91, r4= 6.41,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    58 PRO HB3 4.31 
 &rst iat= 938, -1, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HB 2HB    43 ILE 2HD1 1HD1 3HD1  5.15  
 &rst iat= -1, -1, r1= 6.44, r2= 6.94, r3= 6.94, r4= 7.44,
 igr1= 660, 659,   igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    64 ILE HB 4.13 
 &rst iat= 1027, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    112 LEU HG 4.18 
 &rst iat= -1, 1874, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 1203, 1201, 1202,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HG 2HG    108 ILE 3HD1 2HD1 1HD1  3.80  
 &rst iat= -1, -1, r1= 4.06, r2= 4.56, r3= 8.96, r4= 9.46,
 igr1= 1066, 1065,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    85 LEU 3HD2 2HD2 1HD2  4.24  
 &rst iat= -1, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 1341, 1340, 1339,   igr2= 1421, 1420, 1419,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    13 PRO HG2 4.50 
 &rst iat= 183, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 SER HA  22 LEU HB2 4.37 
 &rst iat=  266, 316, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU HA  131 LYS HG3 4.20 
 &rst iat=  2116, 2178, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA 1HB 3HB 2HB    16 PRO HA 4.00 
 &rst iat= 236, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 244, 246, 245,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    33 PRO HB2 4.46 
 &rst iat= 500, -1, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 0,  igr2= 547, 546, 545,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 3HD1 2HD1 1HD1    63 GLN HB3 4.77 
 &rst iat= -1, 1011, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 547, 546, 545,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    40 LEU H 4.99 
 &rst iat= -1, 614, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 550, 549, 551,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    37 TYR H 4.77 
 &rst iat= -1, 555, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 550, 549, 551,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    62 ASN H 5.56 
 &rst iat= -1, 992, r1= 6.18, r2= 6.68, r3= 6.68, r4= 7.18,
 igr1= 963, 962, 964,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    62 ASN H 5.87 
 &rst iat= 992, -1, r1= 6.55, r2= 7.05, r3= 7.05, r4= 7.55,
 igr1= 0,  igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE HA  15 ILE HG12 3.98 
 &rst iat=  209, 217, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    82 PHE HA 4.95 
 &rst iat= 1354, -1, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    119 SER 2HB 3HB  4.84  
 &rst iat= -1, -1, r1= 6.02, r2= 6.52, r3= 6.52, r4= 7.02,
 igr1= 1943, 1945, 1944,   igr2= 1994, 1995,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    69 HID HA 4.82 
 &rst iat= 1120, -1, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE HA  73 ILE HG12 4.05 
 &rst iat=  1190, 1198, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 3HD1 1HD1 2HD1    34 ASP H 4.96 
 &rst iat= 507, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 1095, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HZ  64 ILE H 4.70 
 &rst iat=  381, 1023, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE HB  115 HID HD2 4.90 
 &rst iat=  1337, 1933, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HE2 HE1    57 ASP HB3 6.50 
 &rst iat= -1, 923, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 840, 836,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HZ  57 ASP HB3 6.50 
 &rst iat=  838, 923, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE HZ  132 ARG HE 5.79 
 &rst iat=  1588, 2205, r1= 5.29, r2= 5.79,
 r3= 5.79, r4= 6.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    16 PRO HG3 4.86 
 &rst iat= 231, -1, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 0,  igr2= 322, 321, 323,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    35 MET HG3 5.47 
 &rst iat= 527, -1, r1= 6.07, r2= 6.57, r3= 6.57, r4= 7.07,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD2 1HD2 2HD2    12 LEU HA 4.30 
 &rst iat= 162, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 0,  igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    22 LEU HA 4.29 
 &rst iat= 314, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 322, 321, 323,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    12 LEU HA 4.41 
 &rst iat= 162, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    99 MET HA 6.32 
 &rst iat= -1, 1653, r1= 7.09, r2= 7.59, r3= 7.59, r4= 8.09,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    39 TYR HB3 4.62 
 &rst iat= -1, 598, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    63 GLN 2HG 3HG  4.55  
 &rst iat= -1, -1, r1= 4.96, r2= 5.46, r3= 9.86, r4= 10.36,
 igr1= 550, 549, 551,   igr2= 1013, 1014,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    35 MET HG3 4.56 
 &rst iat= -1, 527, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    13 PRO HG3 4.50 
 &rst iat= 184, -1, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    35 MET HG2 5.02 
 &rst iat= -1, 526, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    57 ASP HB2 4.42 
 &rst iat= 922, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL 1HG2 3HG2 2HG2    123 ASP HB3 4.38 
 &rst iat= 2054, -1, r1= 4.76, r2= 5.26, r3= 5.26, r4= 5.76,
 igr1= 0,  igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    61 PHE HB2 6.06 
 &rst iat= -1, 976, r1= 6.78, r2= 7.28, r3= 7.28, r4= 7.78,
 igr1= 914, 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 ALA 1HB 3HB 2HB    61 PHE HB3 4.43 
 &rst iat= 977, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    15 ILE HA 4.29 
 &rst iat= 209, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 3HD1 1HD1 2HD1    70 ASP HA 5.30 
 &rst iat= 1137, -1, r1= 5.86, r2= 6.36, r3= 6.36, r4= 6.86,
 igr1= 0,  igr2= 1203, 1201, 1202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    56 LEU HA 4.33 
 &rst iat= 901, -1, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 0,  igr2= 914, 913, 912,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    85 LEU HA 4.14 
 &rst iat= -1, 1408, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS HG2  131 LYS HA 5.19 
 &rst iat=  2155, 2172, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU HA  130 LYS HG2 4.34 
 &rst iat=  2101, 2155, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    59 ASP HA 5.58 
 &rst iat= 946, -1, r1= 6.20, r2= 6.70, r3= 6.70, r4= 7.20,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    39 TYR HA 5.18 
 &rst iat= -1, 595, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 441, 439, 440,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    29 LEU HA 4.68 
 &rst iat= 432, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    73 ILE HG12 4.41 
 &rst iat= 1198, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    40 LEU 3HD1 1HD1 2HD1  4.87  
 &rst iat= -1, -1, r1= 6.52, r2= 7.02, r3= 7.02, r4= 7.52,
 igr1= 550, 549, 551,   igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    40 LEU 3HD2 1HD2 2HD2  4.87  
 &rst iat= -1, -1, r1= 6.52, r2= 7.02, r3= 7.02, r4= 7.52,
 igr1= 550, 549, 551,   igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    112 LEU 1HD2 3HD2 2HD2  4.90  
 &rst iat= -1, -1, r1= 6.57, r2= 7.07, r3= 7.07, r4= 7.57,
 igr1= 1194, 1195, 1196,   igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HE2 HE1    70 ASP H 5.04 
 &rst iat= 1135, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1161, 1157,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    72 TYR HH 3.28 
 &rst iat= -1, 1180, r1= 3.18, r2= 3.68, r3= 3.68, r4= 4.18,
 igr1= 1177, 1182,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    133 TYR HH 3.49 
 &rst iat= -1, 2229, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 2226, 2231,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS HA  72 TYR HH 3.69 
 &rst iat=  635, 1180, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  102 SER H  102 SER HB2 4.17 
 &rst iat=  1705, 1709, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HA  133 TYR HH 3.88 
 &rst iat=  1408, 2229, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HA  133 TYR HH 5.10 
 &rst iat=  1427, 2229, r1= 4.60, r2= 5.10,
 r3= 5.10, r4= 5.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HB3  133 TYR HH 5.11 
 &rst iat=  1490, 2229, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU HA  48 TYR HH 4.85 
 &rst iat=  616, 763, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HE1 HE2    133 TYR HH 4.88 
 &rst iat= -1, 2229, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 982, 986,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    48 TYR HH 3.16 
 &rst iat= -1, 763, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HH  80 LEU HG 5.56 
 &rst iat=  1180, 1321, r1= 5.06, r2= 5.56,
 r3= 5.56, r4= 6.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    70 ASP H 4.52 
 &rst iat= -1, 1135, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HD1 2HD1 1HD1    133 TYR HH 5.33 
 &rst iat= -1, 2229, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 1477, 1476, 1475,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HD1 1HD1 3HD1    133 TYR HH 5.72 
 &rst iat= -1, 2229, r1= 6.37, r2= 6.87, r3= 6.87, r4= 7.37,
 igr1= 2139, 2138, 2140,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HD2 2HD2 1HD2    133 TYR HH 5.33 
 &rst iat= -1, 2229, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 1481, 1480, 1479,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU HB2  133 TYR HH 4.98 
 &rst iat=  1410, 2229, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU 3HD2 2HD2 1HD2    133 TYR HH 4.67 
 &rst iat= -1, 2229, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 1421, 1420, 1419,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HD1 2HD1 1HD1    133 TYR HH 4.67 
 &rst iat= -1, 2229, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 1417, 1416, 1415,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    48 TYR HH 4.61 
 &rst iat= -1, 763, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 686, 685, 687,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    48 TYR HH 3.77 
 &rst iat= 763, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    48 TYR HH 4.00 
 &rst iat= 763, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HH  84 ILE HG13 5.10 
 &rst iat=  763, 1398, r1= 4.60, r2= 5.10,
 r3= 5.10, r4= 5.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU 3HD1 1HD1 2HD1    48 TYR HH 4.03 
 &rst iat= -1, 763, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 625, 623, 624,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD2 1HD2 2HD2    48 TYR HH 4.03 
 &rst iat= -1, 763, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 629, 627, 628,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    61 PHE HZ 4.26 
 &rst iat= 984, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 1592, 1584,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    133 TYR HD2 HD1  3.54  
 &rst iat= -1, -1, r1= 3.47, r2= 3.97, r3= 8.37, r4= 8.87,
 igr1= 982, 986,   igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    133 TYR HE1 HE2  3.97  
 &rst iat= -1, -1, r1= 3.96, r2= 4.46, r3= 8.86, r4= 9.36,
 igr1= 988, 980,   igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    72 TYR HE1 HE2  3.50  
 &rst iat= -1, -1, r1= 3.43, r2= 3.93, r3= 8.33, r4= 8.83,
 igr1= 572, 563,   igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    39 TYR HE2 HE1  2.85  
 &rst iat= -1, -1, r1= 2.70, r2= 3.20, r3= 7.60, r4= 8.10,
 igr1= 377, 385,   igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    133 TYR HE1 HE2  3.48  
 &rst iat= -1, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 982, 986,   igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 HID HA  115 HID HD2 4.66 
 &rst iat=  1922, 1933, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    115 HID HD2 4.54 
 &rst iat= -1, 1933, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    115 HID HD2 3.41 
 &rst iat= -1, 1933, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 1346, 1348, 1347,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 1HG2 3HG2 2HG2    115 HID HD2 4.80 
 &rst iat= 1933, -1, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 0,  igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    88 LEU 3HD2 2HD2 1HD2  5.01  
 &rst iat= -1, -1, r1= 6.25, r2= 6.75, r3= 6.75, r4= 7.25,
 igr1= 982, 986,   igr2= 1481, 1480, 1479,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD1 1HD1 3HD1    26 PHE HD1 HD2  3.34  
 &rst iat= -1, -1, r1= 3.51, r2= 4.01, r3= 8.41, r4= 8.91,
 igr1= 322, 321, 323,   igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    26 PHE HZ 4.74 
 &rst iat= 381, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 0,  igr2= 550, 549, 551,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD1 2HD1 1HD1    61 PHE HD2 HD1  4.59  
 &rst iat= -1, -1, r1= 5.01, r2= 5.51, r3= 9.91, r4= 10.41,
 igr1= 910, 909, 908,   igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    65 VAL 3HG2 1HG2 2HG2  4.24  
 &rst iat= -1, -1, r1= 4.59, r2= 5.09, r3= 9.49, r4= 9.99,
 igr1= 988, 980,   igr2= 1054, 1052, 1053,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    26 PHE HZ 4.25 
 &rst iat= 381, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    51 LEU 1HD1 3HD1 2HD1  4.41  
 &rst iat= -1, -1, r1= 4.80, r2= 5.30, r3= 9.70, r4= 10.20,
 igr1= 758, 767,   igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    121 LEU 3HD2 1HD2 2HD2  4.83  
 &rst iat= -1, -1, r1= 6.01, r2= 6.51, r3= 6.51, r4= 7.01,
 igr1= 1362, 1366,   igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    121 LEU 3HD2 1HD2 2HD2  4.01  
 &rst iat= -1, -1, r1= 4.32, r2= 4.82, r3= 9.22, r4= 9.72,
 igr1= 1368, 1360,   igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    116 ILE 2HD1 1HD1 3HD1  3.40  
 &rst iat= -1, -1, r1= 3.58, r2= 4.08, r3= 8.48, r4= 8.98,
 igr1= 1368, 1360,   igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    121 LEU 3HD1 1HD1 2HD1  3.91  
 &rst iat= -1, -1, r1= 4.20, r2= 4.70, r3= 9.10, r4= 9.60,
 igr1= 1368, 1360,   igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    126 VAL 1HG2 3HG2 2HG2  3.71  
 &rst iat= -1, -1, r1= 3.96, r2= 4.46, r3= 8.86, r4= 9.36,
 igr1= 1368, 1360,   igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    61 PHE HD2 HD1  4.59  
 &rst iat= -1, -1, r1= 5.01, r2= 5.51, r3= 9.91, r4= 10.41,
 igr1= 914, 913, 912,   igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    126 VAL 1HG2 3HG2 2HG2  3.53  
 &rst iat= -1, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 1362, 1366,   igr2= 2093, 2095, 2094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    116 ILE 1HG2 3HG2 2HG2  4.41  
 &rst iat= -1, -1, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 1362, 1366,   igr2= 1943, 1945, 1944,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    126 VAL 1HG1 3HG1 2HG1  3.76  
 &rst iat= -1, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 1362, 1366,   igr2= 2089, 2091, 2090,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD2 1HD2 2HD2    26 PHE HZ 3.80 
 &rst iat= 381, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 629, 627, 628,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HD1 1HD1 2HD1    26 PHE HZ 3.80 
 &rst iat= 381, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 625, 623, 624,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    88 LEU 3HD2 2HD2 1HD2  3.84  
 &rst iat= -1, -1, r1= 4.11, r2= 4.61, r3= 9.01, r4= 9.51,
 igr1= 988, 980,   igr2= 1481, 1480, 1479,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    39 TYR HD1 HD2  3.65  
 &rst iat= -1, -1, r1= 3.88, r2= 4.38, r3= 8.78, r4= 9.28,
 igr1= 550, 549, 551,   igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    52 PHE HE2 HE1  4.12  
 &rst iat= -1, -1, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 816, 818, 817,   igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    52 PHE HZ 3.21 
 &rst iat= 838, -1, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU 2HD2 1HD2 3HD2    39 TYR HE2 HE1  4.92  
 &rst iat= -1, -1, r1= 6.13, r2= 6.63, r3= 6.63, r4= 7.13,
 igr1= 326, 325, 327,   igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    84 ILE 1HD1 3HD1 2HD1  3.75  
 &rst iat= -1, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 1177, 1182,   igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    69 HID HD2 4.52 
 &rst iat= 1131, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    64 ILE 3HD1 2HD1 1HD1  3.39  
 &rst iat= -1, -1, r1= 4.07, r2= 4.57, r3= 4.57, r4= 5.07,
 igr1= 840, 836,   igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    98 VAL 2HG1 1HG1 3HG1  4.99  
 &rst iat= -1, -1, r1= 5.49, r2= 5.99, r3= 10.39, r4= 10.89,
 igr1= 1592, 1584,   igr2= 1642, 1641, 1643,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    84 ILE HG13 4.24 
 &rst iat= -1, 1398, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 1177, 1182,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HZ  133 TYR HB2 4.75 
 &rst iat=  984, 2220, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HZ  133 TYR HA 4.01 
 &rst iat=  984, 2218, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 TYR HE2 HE1    64 ILE HB 5.04 
 &rst iat= -1, 1027, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HZ  129 LEU HG 5.26 
 &rst iat=  1898, 2136, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HE2 HE1    64 ILE HB 5.03 
 &rst iat= -1, 1027, r1= 5.15, r2= 5.65, r3= 5.65, r4= 6.15,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    101 MET 1HE 3HE 2HE  4.00  
 &rst iat= -1, -1, r1= 4.30, r2= 4.80, r3= 9.20, r4= 9.70,
 igr1= 988, 980,   igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    47 LEU HB3 6.15 
 &rst iat= 736, -1, r1= 6.40, r2= 6.90, r3= 6.90, r4= 7.40,
 igr1= 0,  igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    133 TYR HB3 4.84 
 &rst iat= -1, 2221, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    95 ASP HA 4.41 
 &rst iat= -1, 1598, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 1592, 1584,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    126 VAL HA 3.32 
 &rst iat= -1, 2085, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    62 ASN HA 4.02 
 &rst iat= -1, 994, r1= 4.01, r2= 4.51, r3= 4.51, r4= 5.01,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HB3  73 ILE H 4.26 
 &rst iat=  1172, 1188, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 ASP HA  71 PHE HZ 3.68 
 &rst iat=  509, 1159, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER 2HB 3HB    82 PHE HZ 3.87 
 &rst iat= 1364, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 2076, 2077,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    82 PHE HA 3.40 
 &rst iat= 1354, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 1368, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS HA  53 GLN HE21 3.62 
 &rst iat=  787, 858, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 PHE HD1 HD2    67 ILE HA 3.83 
 &rst iat= 1082, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HD1 HD2    71 PHE HA 3.57 
 &rst iat= 1149, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  25 ASP HA  28 GLN HE22 4.14 
 &rst iat=  359, 426, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HE2 HE1    48 TYR HA 4.19 
 &rst iat= 752, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    79 LEU HA 4.21 
 &rst iat= 1297, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 1368, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HD1 HD2    72 TYR HA 3.85 
 &rst iat= 1169, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 1175, 1184,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    98 VAL HA 4.00 
 &rst iat= -1, 1637, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 982, 986,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 PHE HD1 HD2    20 PHE HA 3.09 
 &rst iat= 277, -1, r1= 2.97, r2= 3.47, r3= 3.47, r4= 3.97,
 igr1= 0,  igr2= 283, 291,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 PHE H  8 ALA H 4.96 
 &rst iat=  86, 106, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  66 LYS H 4.82 
 &rst iat=  1006, 1058, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS H  109 ALA H 4.54 
 &rst iat=  1782, 1823, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL H  12 LEU H 4.10 
 &rst iat=  144, 160, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL H  128 GLU H 4.04 
 &rst iat=  2083, 2114, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 LYS H  123 ASP H 3.85 
 &rst iat=  2027, 2049, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE HZ  133 TYR H 5.42 
 &rst iat=  984, 2216, r1= 4.92, r2= 5.42,
 r3= 5.42, r4= 5.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ARG HE  114 ASN HD22 5.66 
 &rst iat=  1846, 1916, r1= 5.16, r2= 5.66,
 r3= 5.66, r4= 6.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU H  53 GLN H 5.32 
 &rst iat=  807, 846, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    25 ASP H 4.82 
 &rst iat= 357, -1, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 0,  igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    23 GLU H 6.50 
 &rst iat= 331, -1, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 0,  igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    23 GLU H 6.50 
 &rst iat= 331, -1, r1= 6.80, r2= 7.30, r3= 7.30, r4= 7.80,
 igr1= 0,  igr2= 842, 834,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    26 PHE HZ 5.88 
 &rst iat= 381, -1, r1= 6.10, r2= 6.60, r3= 6.60, r4= 7.10,
 igr1= 0,  igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    97 ALA H 6.41 
 &rst iat= -1, 1625, r1= 6.69, r2= 7.19, r3= 7.19, r4= 7.69,
 igr1= 1592, 1584,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    64 ILE H 4.82 
 &rst iat= -1, 1023, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HZ  130 LYS H 4.73 
 &rst iat=  1898, 2148, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HE2 HE1    52 PHE H 4.74 
 &rst iat= 826, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    38 GLN HE22 4.31 
 &rst iat= -1, 589, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 565, 570,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 PHE HA  8 ALA H 3.30 
 &rst iat=  88, 106, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER HA  129 LEU H 4.12 
 &rst iat=  2074, 2129, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA HA  114 ASN HD22 3.88 
 &rst iat=  1859, 1916, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET HA  39 TYR H 4.86 
 &rst iat=  521, 593, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU HA  31 SER H 4.10 
 &rst iat=  432, 471, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG HA  134 GLY H 4.76 
 &rst iat=  2194, 2237, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 ASP HA  28 GLN HE21 3.89 
 &rst iat=  359, 425, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    125 SER 2HB 3HB  4.94  
 &rst iat= -1, -1, r1= 5.04, r2= 5.54, r3= 9.94, r4= 10.44,
 igr1= 1368, 1360,   igr2= 2076, 2077,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS H  78 PRO HD3 5.14 
 &rst iat=  1259, 1283, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS HA  110 ARG HE 4.08 
 &rst iat=  1784, 1846, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HA  70 ASP H 5.63 
 &rst iat=  1060, 1135, r1= 5.13, r2= 5.63,
 r3= 5.63, r4= 6.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HA  72 TYR H 3.57 
 &rst iat=  1101, 1167, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 VAL HA  129 LEU H 4.14 
 &rst iat=  2085, 2129, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HA  71 PHE H 4.70 
 &rst iat=  1101, 1147, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 LEU H  30 LYS HA 4.74 
 &rst iat=  430, 451, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 LYS HA  32 SER H 4.12 
 &rst iat=  451, 482, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO HD3  87 ARG HE 4.42 
 &rst iat=  773, 1455, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HB3  56 LEU H 4.78 
 &rst iat=  831, 899, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HB3  55 ASN H 4.32 
 &rst iat=  831, 885, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 ARG 3HD 2HD    55 ASN HD22 5.10 
 &rst iat= 895, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 1563, 1562,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR H  39 TYR HB3 3.78 
 &rst iat=  593, 598, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 HID HB2  116 ILE H 4.25 
 &rst iat=  1924, 1937, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR H  73 ILE HA 5.13 
 &rst iat=  1167, 1190, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 GLN 2HG 3HG    21 GLN HE22 3.55 
 &rst iat= -1, 308, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 302, 303,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET HB3  97 ALA H 4.31 
 &rst iat=  1613, 1625, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 LEU H  37 TYR HB3 5.74 
 &rst iat=  536, 560, r1= 5.24, r2= 5.74,
 r3= 5.74, r4= 6.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU 3HG 2HG    128 GLU H 3.88 
 &rst iat= 2114, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 2122, 2121,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS H  67 ILE HB 5.75 
 &rst iat=  1058, 1084, r1= 5.25, r2= 5.75,
 r3= 5.75, r4= 6.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 GLU 3HG 2HG    127 GLU H 6.21 
 &rst iat= 2099, -1, r1= 6.47, r2= 6.97, r3= 6.97, r4= 7.47,
 igr1= 0,  igr2= 2122, 2121,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU H  83 GLU HB3 3.58 
 &rst iat=  1372, 1377, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 GLN 3HB 2HB    53 GLN HE21 4.63 
 &rst iat= -1, 858, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 851, 850,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  103 GLU H  103 GLU HB3 3.99 
 &rst iat=  1716, 1721, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HB2  22 LEU H 5.13 
 &rst iat=  233, 312, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO 2HG 3HG    87 ARG HE 4.02 
 &rst iat= -1, 1455, r1= 4.01, r2= 4.51, r3= 4.51, r4= 5.01,
 igr1= 775, 776,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA H  21 GLN HB3 4.16 
 &rst iat=  240, 300, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 LYS 3HB 2HB    110 ARG HE 4.05 
 &rst iat= -1, 1846, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 1787, 1786,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG HG2  111 ALA H 3.52 
 &rst iat=  1840, 1857, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 ALA H  110 ARG HG2 4.33 
 &rst iat=  1823, 1840, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 PRO HG3  28 GLN HE21 4.60 
 &rst iat=  184, 425, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS H  80 LEU HG 5.37 
 &rst iat=  1259, 1321, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 ALA 1HB 2HB 3HB    114 ASN HD22 5.56 
 &rst iat= -1, 1916, r1= 6.18, r2= 6.68, r3= 6.68, r4= 7.18,
 igr1= 1861, 1862, 1863,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS HD2  79 LEU H 5.03 
 &rst iat=  1269, 1295, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    25 ASP HB3 4.99 
 &rst iat= 362, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU HB3  48 TYR H 4.41 
 &rst iat=  736, 750, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS 3HG 2HG    66 LYS H 4.09 
 &rst iat= 1058, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 1066, 1065,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS H  50 LYS HG2 4.60 
 &rst iat=  785, 792, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS H  51 LEU HG 4.37 
 &rst iat=  785, 814, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 THR 3HG2 2HG2 1HG2    10 THR H 4.45 
 &rst iat= -1, 130, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 124, 123, 122,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 1HD1 3HD1 2HD1    81 ILE H 5.04 
 &rst iat= -1, 1333, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 1323, 1325, 1324,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU 1HD2 2HD2 3HD2    79 LEU H 4.22 
 &rst iat= 1295, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 1308, 1309, 1310,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS H  41 LYS HG2 3.76 
 &rst iat=  633, 640, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL 3HG1 1HG1 2HG1    12 LEU H 4.11 
 &rst iat= -1, 160, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 152, 150, 151,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    91 LEU H 3.88 
 &rst iat= 1511, -1, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HD1 2HD1 1HD1    89 SER H 5.60 
 &rst iat= -1, 1485, r1= 6.23, r2= 6.73, r3= 6.73, r4= 7.23,
 igr1= 1477, 1476, 1475,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    89 SER H 6.17 
 &rst iat= 1485, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    94 PHE H 4.63 
 &rst iat= -1, 1576, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 1520, 1521, 1522,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    79 LEU H 3.84 
 &rst iat= 1295, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    83 GLU H 4.98 
 &rst iat= 1372, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    107 LYS H 6.50 
 &rst iat= 1782, -1, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 0,  igr2= 1812, 1811, 1810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS H  108 ILE HG12 6.50 
 &rst iat=  1782, 1814, r1= 6.00, r2= 6.50,
 r3= 6.50, r4= 7.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    132 ARG H 6.50 
 &rst iat= -1, 2192, r1= 7.31, r2= 7.81, r3= 7.81, r4= 8.31,
 igr1= 1642, 1641, 1643,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE H  108 ILE HG12 4.10 
 &rst iat=  1804, 1814, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    109 ALA H 4.52 
 &rst iat= -1, 1823, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 1819, 1818, 1817,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    39 TYR H 5.50 
 &rst iat= -1, 593, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 550, 549, 551,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG2 1HG2 3HG2    99 MET H 3.98 
 &rst iat= -1, 1651, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 1646, 1645, 1647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    73 ILE H 3.85 
 &rst iat= 1188, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 1194, 1195, 1196,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  4 MET 2HB 3HB    4 MET H 3.62 
 &rst iat= 42, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 46, 47,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 GLN 3HG 2HG    6 GLN H 3.95 
 &rst iat= 69, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 0,  igr2= 77, 76,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 PHE 2HB 3HB    7 PHE H 3.52 
 &rst iat= 86, -1, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 0,  igr2= 90, 91,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR HA  11 VAL CB 3.67 
 &rst iat=  132, 147, r1= 3.17, r2= 3.67,
 r3= 8.07, r4= 8.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL H  11 VAL CB 3.02 
 &rst iat=  144, 147, r1= 2.52, r2= 3.02,
 r3= 7.42, r4= 7.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL HA  11 VAL CB 2.66 
 &rst iat=  146, 147, r1= 2.16, r2= 2.66,
 r3= 7.06, r4= 7.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL CB  12 LEU H 2.93 
 &rst iat=  147, 160, r1= 2.43, r2= 2.93,
 r3= 7.33, r4= 7.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 VAL CB  12 LEU HA 4.48 
 &rst iat=  147, 162, r1= 3.98, r2= 4.48,
 r3= 8.88, r4= 9.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU H  12 LEU CG 3.33 
 &rst iat=  160, 166, r1= 2.83, r2= 3.33,
 r3= 7.73, r4= 8.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 PRO 2HD 3HD    12 LEU H 4.10 
 &rst iat= 160, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 180, 181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU HA  12 LEU CG 3.13 
 &rst iat=  162, 166, r1= 2.63, r2= 3.13,
 r3= 7.53, r4= 8.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 PRO 3HG 2HG    12 LEU HA 4.21 
 &rst iat= 162, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 184, 183,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 2HD 3HD    12 LEU HA 3.17 
 &rst iat= 162, -1, r1= 3.06, r2= 3.56, r3= 3.56, r4= 4.06,
 igr1= 0,  igr2= 180, 181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 2HD 3HD    12 LEU HB3 4.73 
 &rst iat= 165, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 180, 181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 2HD 3HD    12 LEU CG 3.40 
 &rst iat= 166, -1, r1= 3.32, r2= 3.82, r3= 8.22, r4= 8.72,
 igr1= 0,  igr2= 180, 181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    12 LEU CG 3.64 
 &rst iat= 166, -1, r1= 3.87, r2= 4.37, r3= 8.77, r4= 9.27,
 igr1= 0,  igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU CG  35 MET H 4.77 
 &rst iat=  166, 519, r1= 4.27, r2= 4.77,
 r3= 9.17, r4= 9.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  35 MET HA 4.45 
 &rst iat=  166, 521, r1= 3.95, r2= 4.45,
 r3= 8.85, r4= 9.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  35 MET HB2 3.96 
 &rst iat=  166, 523, r1= 3.46, r2= 3.96,
 r3= 8.36, r4= 8.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 MET 1HE 3HE 2HE    12 LEU CG 2.51 
 &rst iat= 166, -1, r1= 2.51, r2= 3.01, r3= 7.41, r4= 7.91,
 igr1= 0,  igr2= 530, 532, 531,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU CG  36 LEU H 4.61 
 &rst iat=  166, 536, r1= 4.11, r2= 4.61,
 r3= 9.01, r4= 9.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  36 LEU HA 4.33 
 &rst iat=  166, 538, r1= 3.83, r2= 4.33,
 r3= 8.73, r4= 9.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  38 GLN H 3.71 
 &rst iat=  166, 576, r1= 3.21, r2= 3.71,
 r3= 8.11, r4= 8.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  38 GLN HA 4.42 
 &rst iat=  166, 578, r1= 3.92, r2= 4.42,
 r3= 8.82, r4= 9.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  38 GLN HB3 3.49 
 &rst iat=  166, 581, r1= 2.99, r2= 3.49,
 r3= 7.89, r4= 8.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  38 GLN HG3 3.85 
 &rst iat=  166, 584, r1= 3.35, r2= 3.85,
 r3= 8.25, r4= 8.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  38 GLN HE21 5.15 
 &rst iat=  166, 588, r1= 4.65, r2= 5.15,
 r3= 9.55, r4= 10.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  39 TYR H 3.20 
 &rst iat=  166, 593, r1= 2.70, r2= 3.20,
 r3= 7.60, r4= 8.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  39 TYR HA 3.40 
 &rst iat=  166, 595, r1= 2.90, r2= 3.40,
 r3= 7.80, r4= 8.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR 3HB 2HB    12 LEU CG 3.49 
 &rst iat= 166, -1, r1= 3.42, r2= 3.92, r3= 8.32, r4= 8.82,
 igr1= 0,  igr2= 598, 597,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HD1 HD2    12 LEU CG 3.90 
 &rst iat= 166, -1, r1= 3.88, r2= 4.38, r3= 8.78, r4= 9.28,
 igr1= 0,  igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HG 2HG    12 LEU CG 5.88 
 &rst iat= 166, -1, r1= 6.10, r2= 6.60, r3= 11.00, r4= 11.50,
 igr1= 0,  igr2= 663, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 LEU CG  42 GLN HE21 5.00 
 &rst iat=  166, 667, r1= 4.50, r2= 5.00,
 r3= 9.40, r4= 9.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 LEU CG  42 GLN HE22 4.55 
 &rst iat=  166, 668, r1= 4.05, r2= 4.55,
 r3= 8.95, r4= 9.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 PRO 3HB 2HB    14 PRO 2HD 3HD  3.63  
 &rst iat= -1, -1, r1= 3.57, r2= 4.07, r3= 8.47, r4= 8.97,
 igr1= 187, 186,   igr2= 194, 195,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 3HB 2HB    28 GLN HE22 4.06 
 &rst iat= -1, 426, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 187, 186,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 3HB 2HB    39 TYR HE2 HE1  5.39  
 &rst iat= -1, -1, r1= 6.29, r2= 6.79, r3= 6.79, r4= 7.29,
 igr1= 187, 186,   igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 3HG 2HG    28 GLN HE21 3.77 
 &rst iat= -1, 425, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 184, 183,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 3HG 2HG    28 GLN HE22 3.89 
 &rst iat= -1, 426, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 184, 183,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 3HG 2HG    29 LEU 3HD1 1HD1 2HD1  3.94  
 &rst iat= -1, -1, r1= 4.23, r2= 4.73, r3= 9.13, r4= 9.63,
 igr1= 184, 183,   igr2= 441, 439, 440,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 3HG 2HG    39 TYR HE2 HE1  3.77  
 &rst iat= -1, -1, r1= 3.73, r2= 4.23, r3= 8.63, r4= 9.13,
 igr1= 184, 183,   igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 2HD 3HD    28 GLN HE22 4.28 
 &rst iat= -1, 426, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 180, 181,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 2HD 3HD    29 LEU 3HD2 1HD2 2HD2  3.84  
 &rst iat= -1, -1, r1= 4.11, r2= 4.61, r3= 9.01, r4= 9.51,
 igr1= 180, 181,   igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 2HD 3HD    39 TYR HD1 HD2  4.43  
 &rst iat= -1, -1, r1= 4.47, r2= 4.97, r3= 9.37, r4= 9.87,
 igr1= 180, 181,   igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 PRO 2HD 3HD    39 TYR HE2 HE1  5.96  
 &rst iat= -1, -1, r1= 6.19, r2= 6.69, r3= 11.09, r4= 11.59,
 igr1= 180, 181,   igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 PRO 2HG 3HG    15 ILE H 4.59 
 &rst iat= -1, 207, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 197, 198,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO 2HD 3HD    15 ILE H 4.56 
 &rst iat= 207, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 227, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO 2HD 3HD    15 ILE HA 3.57 
 &rst iat= 209, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 227, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HG2 3HG2 2HG2    16 PRO 2HD 3HD  3.28  
 &rst iat= -1, -1, r1= 3.44, r2= 3.94, r3= 8.34, r4= 8.84,
 igr1= 213, 215, 214,   igr2= 227, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO 2HD 3HD    15 ILE HG12 4.64 
 &rst iat= 217, -1, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 0,  igr2= 227, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HG 2HG    15 ILE HG12 6.27 
 &rst iat= 217, -1, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 0,  igr2= 663, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 ILE 1HD1 2HD1 3HD1    42 GLN 3HG 2HG  4.60  
 &rst iat= -1, -1, r1= 5.02, r2= 5.52, r3= 9.92, r4= 10.42,
 igr1= 220, 221, 222,   igr2= 663, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO HB3  22 LEU CG 4.17 
 &rst iat=  234, 318, r1= 3.67, r2= 4.17,
 r3= 8.57, r4= 9.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HG2  22 LEU CG 4.19 
 &rst iat=  230, 318, r1= 3.69, r2= 4.19,
 r3= 8.59, r4= 9.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO HG3  22 LEU CG 3.78 
 &rst iat=  231, 318, r1= 3.28, r2= 3.78,
 r3= 8.18, r4= 8.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PRO 2HD 3HD    22 LEU CG 4.05 
 &rst iat= -1, 318, r1= 4.05, r2= 4.55, r3= 8.95, r4= 9.45,
 igr1= 227, 228,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PRO 2HD 3HD    39 TYR HE2 HE1  3.97  
 &rst iat= -1, -1, r1= 3.96, r2= 4.46, r3= 8.86, r4= 9.36,
 igr1= 227, 228,   igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASN H  22 LEU CG 6.05 
 &rst iat=  250, 318, r1= 5.55, r2= 6.05,
 r3= 10.45, r4= 10.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER HA  22 LEU CG 4.31 
 &rst iat=  266, 318, r1= 3.81, r2= 4.31,
 r3= 8.71, r4= 9.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 SER 3HB 2HB    22 LEU CG 5.33 
 &rst iat= -1, 318, r1= 5.48, r2= 5.98, r3= 10.38, r4= 10.88,
 igr1= 269, 268,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLU 2HB 3HB    20 PHE HA 4.34 
 &rst iat= 277, -1, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 0,  igr2= 335, 336,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU H  22 LEU CG 3.73 
 &rst iat=  312, 318, r1= 3.23, r2= 3.73,
 r3= 8.13, r4= 8.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU HA  22 LEU CG 3.67 
 &rst iat=  314, 318, r1= 3.17, r2= 3.67,
 r3= 8.07, r4= 8.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  23 GLU H 3.53 
 &rst iat=  318, 331, r1= 3.03, r2= 3.53,
 r3= 7.93, r4= 8.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  23 GLU HA 3.82 
 &rst iat=  318, 333, r1= 3.32, r2= 3.82,
 r3= 8.22, r4= 8.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU 2HB 3HB    22 LEU CG 4.18 
 &rst iat= 318, -1, r1= 4.19, r2= 4.69, r3= 9.09, r4= 9.59,
 igr1= 0,  igr2= 335, 336,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU CG  23 GLU HG2 5.00 
 &rst iat=  318, 338, r1= 4.50, r2= 5.00,
 r3= 9.40, r4= 9.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  24 SER H 4.67 
 &rst iat=  318, 346, r1= 4.17, r2= 4.67,
 r3= 9.07, r4= 9.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  25 ASP H 4.17 
 &rst iat=  318, 357, r1= 3.67, r2= 4.17,
 r3= 8.57, r4= 9.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  26 PHE H 3.80 
 &rst iat=  318, 369, r1= 3.30, r2= 3.80,
 r3= 8.20, r4= 8.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 PHE HD1 HD2    22 LEU CG 2.91 
 &rst iat= 318, -1, r1= 2.77, r2= 3.27, r3= 7.67, r4= 8.17,
 igr1= 0,  igr2= 377, 385,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    22 LEU CG 4.58 
 &rst iat= 318, -1, r1= 4.64, r2= 5.14, r3= 9.54, r4= 10.04,
 igr1= 0,  igr2= 383, 379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU CG  26 PHE HZ 4.50 
 &rst iat=  318, 381, r1= 4.00, r2= 4.50,
 r3= 8.90, r4= 9.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  27 ARG H 5.61 
 &rst iat=  318, 389, r1= 5.11, r2= 5.61,
 r3= 10.01, r4= 10.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 TYR HD1 HD2    22 LEU CG 5.04 
 &rst iat= 318, -1, r1= 5.16, r2= 5.66, r3= 10.06, r4= 10.56,
 igr1= 0,  igr2= 601, 610,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR HE2 HE1    22 LEU CG 3.43 
 &rst iat= 318, -1, r1= 3.35, r2= 3.85, r3= 8.25, r4= 8.75,
 igr1= 0,  igr2= 608, 603,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU CG  39 TYR HH 4.73 
 &rst iat=  318, 606, r1= 4.23, r2= 4.73,
 r3= 9.13, r4= 9.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  40 LEU CG 4.43 
 &rst iat=  318, 620, r1= 3.93, r2= 4.43,
 r3= 13.23, r4= 13.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    22 LEU CG 3.19 
 &rst iat= 318, -1, r1= 3.33, r2= 3.83, r3= 8.23, r4= 8.73,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    22 LEU CG 4.70 
 &rst iat= 318, -1, r1= 4.78, r2= 5.28, r3= 9.68, r4= 10.18,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU CG  52 PHE HZ 3.14 
 &rst iat=  318, 838, r1= 2.64, r2= 3.14,
 r3= 7.54, r4= 8.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 LEU CG  60 VAL HB 5.31 
 &rst iat=  318, 960, r1= 4.81, r2= 5.31,
 r3= 9.71, r4= 10.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    22 LEU CG 3.16 
 &rst iat= 318, -1, r1= 3.29, r2= 3.79, r3= 8.19, r4= 8.69,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    22 LEU CG 3.52 
 &rst iat= 318, -1, r1= 3.73, r2= 4.23, r3= 8.63, r4= 9.13,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    22 LEU CG 4.06 
 &rst iat= 318, -1, r1= 4.38, r2= 4.88, r3= 9.28, r4= 9.78,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 LEU CG  88 LEU CG 5.07 
 &rst iat=  318, 1472, r1= 4.57, r2= 5.07,
 r3= 13.87, r4= 14.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLU 2HB 3HB    24 SER H 3.91 
 &rst iat= -1, 346, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 335, 336,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLU 2HB 3HB    60 VAL 1HG2 2HG2 3HG2  3.30  
 &rst iat= -1, -1, r1= 3.95, r2= 4.45, r3= 4.45, r4= 4.95,
 igr1= 335, 336,   igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HG 3HG    25 ASP H 4.72 
 &rst iat= 357, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 396, 397,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HG 3HG    26 PHE H 4.36 
 &rst iat= 369, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 396, 397,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HD1 HD2    40 LEU CG 4.28 
 &rst iat= -1, 620, r1= 4.30, r2= 4.80, r3= 9.20, r4= 9.70,
 igr1= 377, 385,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HE2 HE1    40 LEU CG 3.65 
 &rst iat= -1, 620, r1= 3.60, r2= 4.10, r3= 8.50, r4= 9.00,
 igr1= 383, 379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 PHE HZ  40 LEU CG 3.14 
 &rst iat=  381, 620, r1= 2.64, r2= 3.14,
 r3= 7.54, r4= 8.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ARG 2HG 3HG    27 ARG H 2.81 
 &rst iat= 389, -1, r1= 2.65, r2= 3.15, r3= 3.15, r4= 3.65,
 igr1= 0,  igr2= 396, 397,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HG 3HG    27 ARG HA 3.68 
 &rst iat= 391, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 396, 397,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HD 3HD    27 ARG HA 4.59 
 &rst iat= 391, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 399, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HD 3HD    27 ARG HB2 3.27 
 &rst iat= 393, -1, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 0,  igr2= 399, 400,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HG 3HG    27 ARG HE 3.61 
 &rst iat= -1, 402, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 396, 397,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HG 3HG    28 GLN H 3.19 
 &rst iat= -1, 413, r1= 3.08, r2= 3.58, r3= 3.58, r4= 4.08,
 igr1= 396, 397,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HG 3HG    29 LEU H 4.85 
 &rst iat= -1, 430, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 396, 397,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ARG 2HD 3HD    28 GLN H 5.09 
 &rst iat= -1, 413, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 399, 400,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN 3HG 2HG    28 GLN H 3.19 
 &rst iat= 413, -1, r1= 3.08, r2= 3.58, r3= 3.58, r4= 4.08,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN 3HG 2HG    28 GLN HA 3.39 
 &rst iat= 415, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 421, 420,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN 3HG 2HG    28 GLN HE22 3.59 
 &rst iat= -1, 426, r1= 3.53, r2= 4.03, r3= 4.03, r4= 4.53,
 igr1= 421, 420,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN 3HG 2HG    29 LEU H 3.60 
 &rst iat= -1, 430, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 421, 420,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN 3HG 2HG    29 LEU 3HD2 1HD2 2HD2  3.36  
 &rst iat= -1, -1, r1= 3.54, r2= 4.04, r3= 8.44, r4= 8.94,
 igr1= 421, 420,   igr2= 445, 443, 444,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 GLN 3HG 2HG    30 LYS H 5.03 
 &rst iat= -1, 449, r1= 5.15, r2= 5.65, r3= 5.65, r4= 6.15,
 igr1= 421, 420,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 LEU 3HD1 1HD1 2HD1    39 TYR 3HB 2HB  3.93  
 &rst iat= -1, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 441, 439, 440,   igr2= 598, 597,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 LYS 2HG 3HG    30 LYS H 3.14 
 &rst iat= 449, -1, r1= 3.02, r2= 3.52, r3= 3.52, r4= 4.02,
 igr1= 0,  igr2= 456, 457,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 LYS 2HG 3HG    30 LYS HA 3.51 
 &rst iat= 451, -1, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 0,  igr2= 456, 457,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 LYS 2HG 3HG    32 SER H 4.82 
 &rst iat= -1, 482, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 456, 457,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 SER 3HB 2HB    31 SER H 3.07 
 &rst iat= 471, -1, r1= 2.95, r2= 3.45, r3= 3.45, r4= 3.95,
 igr1= 0,  igr2= 476, 475,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR 3HB 2HB    36 LEU HA 4.24 
 &rst iat= 538, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 598, 597,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 LEU 2HD2 1HD2 3HD2    39 TYR 3HB 2HB  4.85  
 &rst iat= -1, -1, r1= 6.04, r2= 6.54, r3= 6.54, r4= 7.04,
 igr1= 550, 549, 551,   igr2= 598, 597,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR 3HB 2HB    37 TYR H 5.07 
 &rst iat= 555, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 0,  igr2= 598, 597,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HB 2HB    37 TYR H 5.95 
 &rst iat= 555, -1, r1= 6.18, r2= 6.68, r3= 6.68, r4= 7.18,
 igr1= 0,  igr2= 619, 618,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    41 LYS 2HB 3HB  5.57  
 &rst iat= -1, -1, r1= 5.75, r2= 6.25, r3= 10.65, r4= 11.15,
 igr1= 572, 563,   igr2= 637, 638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    41 LYS 2HG 3HG  4.71  
 &rst iat= -1, -1, r1= 4.79, r2= 5.29, r3= 9.69, r4= 10.19,
 igr1= 572, 563,   igr2= 640, 641,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HD2 HD1    68 LEU CG 4.65 
 &rst iat= -1, 1105, r1= 4.72, r2= 5.22, r3= 9.62, r4= 10.12,
 igr1= 572, 563,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    41 LYS 2HB 3HB  5.72  
 &rst iat= -1, -1, r1= 6.71, r2= 7.21, r3= 7.21, r4= 7.71,
 igr1= 565, 570,   igr2= 637, 638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    41 LYS 2HG 3HG  4.34  
 &rst iat= -1, -1, r1= 4.37, r2= 4.87, r3= 9.27, r4= 9.77,
 igr1= 565, 570,   igr2= 640, 641,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    41 LYS 2HD 3HD  4.03  
 &rst iat= -1, -1, r1= 4.02, r2= 4.52, r3= 8.92, r4= 9.42,
 igr1= 565, 570,   igr2= 643, 644,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    75 LYS 3HB 2HB  4.21  
 &rst iat= -1, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 565, 570,   igr2= 1227, 1226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    75 LYS 3HD 2HD  5.54  
 &rst iat= -1, -1, r1= 5.72, r2= 6.22, r3= 10.62, r4= 11.12,
 igr1= 565, 570,   igr2= 1233, 1232,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    75 LYS 3HE 2HE  4.76  
 &rst iat= -1, -1, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 565, 570,   igr2= 1236, 1235,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 TYR HE1 HE2    76 GLU 2HG 3HG  3.60  
 &rst iat= -1, -1, r1= 3.54, r2= 4.04, r3= 8.44, r4= 8.94,
 igr1= 565, 570,   igr2= 1251, 1252,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HG 3HG    38 GLN H 5.50 
 &rst iat= 576, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 640, 641,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HB 3HB    38 GLN HA 3.68 
 &rst iat= 578, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 637, 638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HG 3HG    38 GLN HA 3.85 
 &rst iat= 578, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 640, 641,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HD 3HD    38 GLN HA 4.87 
 &rst iat= 578, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 643, 644,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HG 3HG    38 GLN HE21 4.52 
 &rst iat= 588, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 640, 641,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HD 3HD    38 GLN HE21 4.46 
 &rst iat= 588, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 643, 644,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HD 3HD    38 GLN HE22 5.26 
 &rst iat= 589, -1, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 0,  igr2= 643, 644,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR 3HB 2HB    39 TYR H 3.19 
 &rst iat= 593, -1, r1= 3.08, r2= 3.58, r3= 3.58, r4= 4.08,
 igr1= 0,  igr2= 598, 597,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HB 2HB    39 TYR H 4.87 
 &rst iat= 593, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 619, 618,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HG 2HG    39 TYR HA 4.37 
 &rst iat= 595, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 663, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 TYR 3HB 2HB    40 LEU H 3.42 
 &rst iat= -1, 614, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 598, 597,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HB 2HB    40 LEU H 3.01 
 &rst iat= 614, -1, r1= 2.88, r2= 3.38, r3= 3.38, r4= 3.88,
 igr1= 0,  igr2= 619, 618,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU H  40 LEU CG 3.62 
 &rst iat=  614, 620, r1= 3.12, r2= 3.62,
 r3= 8.02, r4= 8.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU HA  40 LEU CG 2.98 
 &rst iat=  616, 620, r1= 2.48, r2= 2.98,
 r3= 7.38, r4= 7.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU 3HB 2HB    40 LEU CG 2.69 
 &rst iat= -1, 620, r1= 2.52, r2= 3.02, r3= 7.42, r4= 7.92,
 igr1= 619, 618,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HB 2HB    41 LYS H 3.52 
 &rst iat= -1, 633, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 619, 618,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HB 2HB    67 ILE 1HG2 3HG2 2HG2  5.27  
 &rst iat= -1, -1, r1= 6.60, r2= 7.10, r3= 7.10, r4= 7.60,
 igr1= 619, 618,   igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HB 2HB    72 TYR HE1 HE2  3.86  
 &rst iat= -1, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 619, 618,   igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU 3HB 2HB    72 TYR HH 5.14 
 &rst iat= -1, 1180, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 619, 618,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU CG  41 LYS H 4.94 
 &rst iat=  620, 633, r1= 4.44, r2= 4.94,
 r3= 9.34, r4= 9.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU CG  43 ILE H 4.60 
 &rst iat=  620, 672, r1= 4.10, r2= 4.60,
 r3= 9.00, r4= 9.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU CG  43 ILE HB 3.81 
 &rst iat=  620, 676, r1= 3.31, r2= 3.81,
 r3= 8.21, r4= 8.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    40 LEU CG 3.85 
 &rst iat= 620, -1, r1= 4.12, r2= 4.62, r3= 9.02, r4= 9.52,
 igr1= 0,  igr2= 679, 678, 680,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE 2HD1 1HD1 3HD1    40 LEU CG 3.30 
 &rst iat= 620, -1, r1= 3.46, r2= 3.96, r3= 8.36, r4= 8.86,
 igr1= 0,  igr2= 686, 685, 687,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    40 LEU CG 5.40 
 &rst iat= 620, -1, r1= 5.56, r2= 6.06, r3= 10.46, r4= 10.96,
 igr1= 0,  igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    40 LEU CG 4.12 
 &rst iat= 620, -1, r1= 4.12, r2= 4.62, r3= 9.02, r4= 9.52,
 igr1= 0,  igr2= 765, 760,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU CG  48 TYR HH 3.21 
 &rst iat=  620, 763, r1= 2.71, r2= 3.21,
 r3= 7.61, r4= 8.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HE2 HE1    40 LEU CG 6.09 
 &rst iat= 620, -1, r1= 6.34, r2= 6.84, r3= 11.24, r4= 11.74,
 igr1= 0,  igr2= 840, 836,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU CG  64 ILE HA 3.57 
 &rst iat=  620, 1025, r1= 3.07, r2= 3.57,
 r3= 7.97, r4= 8.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    40 LEU CG 3.58 
 &rst iat= 620, -1, r1= 3.80, r2= 4.30, r3= 8.70, r4= 9.20,
 igr1= 0,  igr2= 1031, 1030, 1029,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU CG  67 ILE H 5.05 
 &rst iat=  620, 1080, r1= 4.55, r2= 5.05,
 r3= 9.45, r4= 9.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU CG  67 ILE HB 3.95 
 &rst iat=  620, 1084, r1= 3.45, r2= 3.95,
 r3= 8.35, r4= 8.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    40 LEU CG 3.38 
 &rst iat= 620, -1, r1= 3.56, r2= 4.06, r3= 8.46, r4= 8.96,
 igr1= 0,  igr2= 1086, 1088, 1087,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU CG  67 ILE HG13 4.33 
 &rst iat=  620, 1091, r1= 3.83, r2= 4.33,
 r3= 8.73, r4= 9.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU CG  68 LEU H 5.03 
 &rst iat=  620, 1099, r1= 4.53, r2= 5.03,
 r3= 9.43, r4= 9.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 LEU CG  68 LEU CG 3.43 
 &rst iat=  620, 1105, r1= 2.93, r2= 3.43,
 r3= 12.23, r4= 12.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HE1 HE2    40 LEU CG 4.09 
 &rst iat= 620, -1, r1= 4.09, r2= 4.59, r3= 8.99, r4= 9.49,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 LEU CG  72 TYR HH 4.60 
 &rst iat=  620, 1180, r1= 4.10, r2= 4.60,
 r3= 9.00, r4= 9.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 LYS 2HB 3HB    41 LYS H 2.95 
 &rst iat= 633, -1, r1= 2.81, r2= 3.31, r3= 3.31, r4= 3.81,
 igr1= 0,  igr2= 637, 638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HG 3HG    41 LYS H 3.22 
 &rst iat= 633, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 640, 641,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HD 3HD    41 LYS H 4.87 
 &rst iat= 633, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 643, 644,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HG 2HG    41 LYS H 4.63 
 &rst iat= 633, -1, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 0,  igr2= 663, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HD 3HD    41 LYS HA 4.04 
 &rst iat= 635, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 643, 644,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HB 3HB    41 LYS 2HE 3HE  3.76  
 &rst iat= -1, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 637, 638,   igr2= 646, 647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HB 3HB    72 TYR HH 5.56 
 &rst iat= -1, 1180, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 637, 638,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HG 3HG    42 GLN H 5.02 
 &rst iat= -1, 655, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 640, 641,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HG 3HG    72 TYR HH 5.08 
 &rst iat= -1, 1180, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 640, 641,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HG 3HG    76 GLU 2HG 3HG  5.29  
 &rst iat= -1, -1, r1= 5.44, r2= 5.94, r3= 10.34, r4= 10.84,
 igr1= 640, 641,   igr2= 1251, 1252,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HD 3HD    72 TYR HE1 HE2  5.09  
 &rst iat= -1, -1, r1= 5.21, r2= 5.71, r3= 10.11, r4= 10.61,
 igr1= 643, 644,   igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 LYS 2HD 3HD    72 TYR HH 5.65 
 &rst iat= -1, 1180, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 643, 644,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HG 2HG    42 GLN H 3.00 
 &rst iat= 655, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 663, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HG 2HG    42 GLN HA 3.31 
 &rst iat= 657, -1, r1= 3.22, r2= 3.72, r3= 3.72, r4= 4.22,
 igr1= 0,  igr2= 663, 662,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 GLN 3HG 2HG    43 ILE H 4.05 
 &rst iat= -1, 672, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 663, 662,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 ILE HA  47 LEU CG 4.32 
 &rst iat=  674, 737, r1= 3.82, r2= 4.32,
 r3= 8.72, r4= 9.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 ILE 2HG2 1HG2 3HG2    47 LEU CG 3.80 
 &rst iat= -1, 737, r1= 4.06, r2= 4.56, r3= 8.96, r4= 9.46,
 igr1= 679, 678, 680,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 GLU H  47 LEU CG 3.34 
 &rst iat=  691, 737, r1= 2.84, r2= 3.34,
 r3= 7.74, r4= 8.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU HB2  47 LEU CG 4.35 
 &rst iat=  695, 737, r1= 3.85, r2= 4.35,
 r3= 8.75, r4= 9.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU HB3  47 LEU CG 4.36 
 &rst iat=  696, 737, r1= 3.86, r2= 4.36,
 r3= 8.76, r4= 9.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 GLU 3HG 2HG    47 LEU CG 3.79 
 &rst iat= -1, 737, r1= 3.75, r2= 4.25, r3= 8.65, r4= 9.15,
 igr1= 699, 698,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO 2HB 3HB    46 SER H 3.79 
 &rst iat= -1, 720, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 713, 714,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO 2HB 3HB    48 TYR HD1 HD2  4.75  
 &rst iat= -1, -1, r1= 4.83, r2= 5.33, r3= 9.73, r4= 10.23,
 igr1= 713, 714,   igr2= 758, 767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO 2HB 3HB    84 ILE H 5.84 
 &rst iat= -1, 1387, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 713, 714,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO 2HB 3HB    84 ILE HA 4.48 
 &rst iat= -1, 1389, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 713, 714,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO 2HB 3HB    84 ILE 1HD1 3HD1 2HD1  4.00  
 &rst iat= -1, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 713, 714,   igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 PRO HG3  80 LEU CG 5.13 
 &rst iat=  711, 1320, r1= 4.63, r2= 5.13,
 r3= 9.53, r4= 10.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 PRO HD2  80 LEU CG 5.52 
 &rst iat=  707, 1320, r1= 5.02, r2= 5.52,
 r3= 9.92, r4= 10.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 PRO HD3  80 LEU CG 4.58 
 &rst iat=  708, 1320, r1= 4.08, r2= 4.58,
 r3= 8.98, r4= 9.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER H  47 LEU CG 4.74 
 &rst iat=  720, 737, r1= 4.24, r2= 4.74,
 r3= 9.14, r4= 9.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU H  47 LEU CG 3.43 
 &rst iat=  731, 737, r1= 2.93, r2= 3.43,
 r3= 7.83, r4= 8.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU HA  47 LEU CG 2.77 
 &rst iat=  733, 737, r1= 2.27, r2= 2.77,
 r3= 7.17, r4= 7.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU HB2  47 LEU CG 2.91 
 &rst iat=  735, 737, r1= 2.41, r2= 2.91,
 r3= 7.31, r4= 7.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU HB3  47 LEU CG 2.87 
 &rst iat=  736, 737, r1= 2.37, r2= 2.87,
 r3= 7.27, r4= 7.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 LEU CG  50 LYS H 4.74 
 &rst iat=  737, 785, r1= 4.24, r2= 4.74,
 r3= 9.14, r4= 9.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 LYS 2HD 3HD    47 LEU CG 3.88 
 &rst iat= 737, -1, r1= 3.86, r2= 4.36, r3= 8.76, r4= 9.26,
 igr1= 0,  igr2= 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HE 3HE    47 LEU CG 4.54 
 &rst iat= 737, -1, r1= 4.60, r2= 5.10, r3= 9.50, r4= 10.00,
 igr1= 0,  igr2= 798, 799,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 LEU CG  51 LEU H 4.46 
 &rst iat=  737, 807, r1= 3.96, r2= 4.46,
 r3= 8.86, r4= 9.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 LEU 1HD1 3HD1 2HD1    47 LEU CG 3.75 
 &rst iat= 737, -1, r1= 4.00, r2= 4.50, r3= 8.90, r4= 9.40,
 igr1= 0,  igr2= 816, 818, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 LEU 1HD2 3HD2 2HD2    47 LEU CG 4.28 
 &rst iat= 737, -1, r1= 4.64, r2= 5.14, r3= 9.54, r4= 10.04,
 igr1= 0,  igr2= 820, 822, 821,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    87 ARG 2HB 3HB  4.37  
 &rst iat= -1, -1, r1= 4.41, r2= 4.91, r3= 9.31, r4= 9.81,
 igr1= 758, 767,   igr2= 1446, 1447,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HD1 HD2    88 LEU CG 3.27 
 &rst iat= -1, 1472, r1= 3.17, r2= 3.67, r3= 8.07, r4= 8.57,
 igr1= 758, 767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    68 LEU CG 5.11 
 &rst iat= -1, 1105, r1= 5.24, r2= 5.74, r3= 10.14, r4= 10.64,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HE2 HE1    88 LEU CG 3.49 
 &rst iat= -1, 1472, r1= 3.42, r2= 3.92, r3= 8.32, r4= 8.82,
 igr1= 765, 760,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 TYR HH  68 LEU CG 5.07 
 &rst iat=  763, 1105, r1= 4.57, r2= 5.07,
 r3= 9.47, r4= 9.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 PRO 2HB 3HB    50 LYS H 3.57 
 &rst iat= -1, 785, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 778, 779,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 PRO 2HB 3HB    91 LEU 1HD2 2HD2 3HD2  4.71  
 &rst iat= -1, -1, r1= 5.85, r2= 6.35, r3= 6.35, r4= 6.85,
 igr1= 778, 779,   igr2= 1524, 1525, 1526,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HG 3HG    50 LYS H 4.03 
 &rst iat= 785, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 792, 793,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HG 3HG    50 LYS HA 3.74 
 &rst iat= 787, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 792, 793,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HG 3HG    51 LEU H 4.26 
 &rst iat= -1, 807, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 792, 793,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HG 3HG    53 GLN HE21 4.47 
 &rst iat= -1, 858, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 792, 793,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 LYS 2HG 3HG    53 GLN HE22 4.37 
 &rst iat= -1, 859, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 792, 793,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HB3  56 LEU CG 4.93 
 &rst iat=  831, 905, r1= 4.43, r2= 4.93,
 r3= 9.33, r4= 9.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD2 HD1    56 LEU CG 3.31 
 &rst iat= -1, 905, r1= 3.22, r2= 3.72, r3= 8.12, r4= 8.62,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD2 HD1    88 LEU CG 3.65 
 &rst iat= -1, 1472, r1= 3.60, r2= 4.10, r3= 8.50, r4= 9.00,
 igr1= 842, 834,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    56 LEU CG 3.63 
 &rst iat= -1, 905, r1= 3.57, r2= 4.07, r3= 8.47, r4= 8.97,
 igr1= 840, 836,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HE2 HE1    88 LEU CG 4.05 
 &rst iat= -1, 1472, r1= 4.05, r2= 4.55, r3= 8.95, r4= 9.45,
 igr1= 840, 836,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HZ  56 LEU CG 4.17 
 &rst iat=  838, 905, r1= 3.67, r2= 4.17,
 r3= 8.57, r4= 9.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS 2HG 3HG    54 LYS H 3.46 
 &rst iat= 863, -1, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 0,  igr2= 870, 871,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS 2HG 3HG    54 LYS HA 3.33 
 &rst iat= 865, -1, r1= 3.24, r2= 3.74, r3= 3.74, r4= 4.24,
 igr1= 0,  igr2= 870, 871,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN 3HB 2HB    54 LYS HA 4.79 
 &rst iat= 865, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 890, 889,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS 2HG 3HG    55 ASN H 4.59 
 &rst iat= -1, 885, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 870, 871,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 ASN 3HB 2HB    55 ASN H 3.57 
 &rst iat= 885, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 890, 889,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    55 ASN HA 4.66 
 &rst iat= 887, -1, r1= 4.73, r2= 5.23, r3= 5.23, r4= 5.73,
 igr1= 0,  igr2= 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    56 LEU H 3.57 
 &rst iat= 899, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU H  56 LEU CG 4.01 
 &rst iat=  899, 905, r1= 3.51, r2= 4.01,
 r3= 8.41, r4= 8.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 3HB 2HB    56 LEU H 5.34 
 &rst iat= 899, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 0,  igr2= 1516, 1515,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU HA  56 LEU CG 3.36 
 &rst iat=  901, 905, r1= 2.86, r2= 3.36,
 r3= 7.76, r4= 8.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU 2HB 3HB    57 ASP H 4.29 
 &rst iat= -1, 918, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 903, 904,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    61 PHE HD2 HD1  5.55  
 &rst iat= -1, -1, r1= 5.73, r2= 6.23, r3= 10.63, r4= 11.13,
 igr1= 903, 904,   igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    91 LEU 1HD1 2HD1 3HD1  3.79  
 &rst iat= -1, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 903, 904,   igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    94 PHE HA 4.01 
 &rst iat= -1, 1578, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 903, 904,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU CG  57 ASP H 3.47 
 &rst iat=  905, 918, r1= 2.97, r2= 3.47,
 r3= 7.87, r4= 8.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU CG  58 PRO HA 4.83 
 &rst iat=  905, 940, r1= 4.33, r2= 4.83,
 r3= 9.23, r4= 9.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU CG  60 VAL H 4.39 
 &rst iat=  905, 956, r1= 3.89, r2= 4.39,
 r3= 8.79, r4= 9.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU CG  60 VAL HB 4.24 
 &rst iat=  905, 960, r1= 3.74, r2= 4.24,
 r3= 8.64, r4= 9.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 VAL 2HG1 1HG1 3HG1    56 LEU CG 3.55 
 &rst iat= 905, -1, r1= 3.76, r2= 4.26, r3= 8.66, r4= 9.16,
 igr1= 0,  igr2= 963, 962, 964,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 VAL 1HG2 2HG2 3HG2    56 LEU CG 4.00 
 &rst iat= 905, -1, r1= 4.30, r2= 4.80, r3= 9.20, r4= 9.70,
 igr1= 0,  igr2= 966, 967, 968,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU CG  61 PHE H 3.59 
 &rst iat=  905, 972, r1= 3.09, r2= 3.59,
 r3= 7.99, r4= 8.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU CG  61 PHE HA 4.07 
 &rst iat=  905, 974, r1= 3.57, r2= 4.07,
 r3= 8.47, r4= 8.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE 2HB 3HB    56 LEU CG 3.68 
 &rst iat= 905, -1, r1= 3.63, r2= 4.13, r3= 8.53, r4= 9.03,
 igr1= 0,  igr2= 976, 977,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 3HD2 2HD2 1HD2    61 PHE HB3 6.06 
 &rst iat= -1, 977, r1= 6.78, r2= 7.28, r3= 7.28, r4= 7.78,
 igr1= 914, 913, 912,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    56 LEU CG 3.40 
 &rst iat= 905, -1, r1= 3.32, r2= 3.82, r3= 8.22, r4= 8.72,
 igr1= 0,  igr2= 988, 980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU CG  62 ASN H 4.97 
 &rst iat=  905, 992, r1= 4.47, r2= 4.97,
 r3= 9.37, r4= 9.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    56 LEU CG 3.40 
 &rst iat= 905, -1, r1= 3.58, r2= 4.08, r3= 8.48, r4= 8.98,
 igr1= 0,  igr2= 1038, 1037, 1036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU CG  88 LEU CG 3.33 
 &rst iat=  905, 1472, r1= 2.83, r2= 3.33,
 r3= 12.13, r4= 12.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 LEU 1HD1 2HD1 3HD1    56 LEU CG 3.71 
 &rst iat= 905, -1, r1= 3.96, r2= 4.46, r3= 8.86, r4= 9.36,
 igr1= 0,  igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU CG  94 PHE H 4.91 
 &rst iat=  905, 1576, r1= 4.41, r2= 4.91,
 r3= 9.31, r4= 9.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU CG  94 PHE HA 3.67 
 &rst iat=  905, 1578, r1= 3.17, r2= 3.67,
 r3= 8.07, r4= 8.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 PHE 2HB 3HB    56 LEU CG 5.03 
 &rst iat= 905, -1, r1= 5.15, r2= 5.65, r3= 10.05, r4= 10.55,
 igr1= 0,  igr2= 1580, 1581,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO 2HD 3HD    57 ASP HB3 5.01 
 &rst iat= 923, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 931, 932,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO 2HD 3HD    59 ASP H 3.37 
 &rst iat= -1, 944, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 931, 932,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 PRO 2HD 3HD    60 VAL H 5.77 
 &rst iat= -1, 956, r1= 5.98, r2= 6.48, r3= 6.48, r4= 6.98,
 igr1= 931, 932,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 ASP 2HB 3HB    59 ASP H 2.80 
 &rst iat= 944, -1, r1= 2.64, r2= 3.14, r3= 3.14, r4= 3.64,
 igr1= 0,  igr2= 948, 949,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 ASN 3HB 2HB    59 ASP HA 5.01 
 &rst iat= 946, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 997, 996,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 ASP 2HB 3HB    60 VAL H 3.32 
 &rst iat= -1, 956, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 948, 949,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE 2HB 3HB    60 VAL H 4.71 
 &rst iat= 956, -1, r1= 4.79, r2= 5.29, r3= 5.29, r4= 5.79,
 igr1= 0,  igr2= 976, 977,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HA  88 LEU CG 4.42 
 &rst iat=  974, 1472, r1= 3.92, r2= 4.42,
 r3= 8.82, r4= 9.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 PHE 2HB 3HB    62 ASN H 3.32 
 &rst iat= -1, 992, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 976, 977,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE 2HB 3HB    97 ALA 1HB 3HB 2HB  3.89  
 &rst iat= -1, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 976, 977,   igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    88 LEU 3HB 2HB  4.30  
 &rst iat= -1, -1, r1= 4.33, r2= 4.83, r3= 9.23, r4= 9.73,
 igr1= 988, 980,   igr2= 1471, 1470,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HD2 HD1    88 LEU CG 3.18 
 &rst iat= -1, 1472, r1= 3.07, r2= 3.57, r3= 7.97, r4= 8.47,
 igr1= 988, 980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    88 LEU 3HB 2HB  4.24  
 &rst iat= -1, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 982, 986,   igr2= 1471, 1470,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    88 LEU CG 3.76 
 &rst iat= -1, 1472, r1= 3.72, r2= 4.22, r3= 8.62, r4= 9.12,
 igr1= 982, 986,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 PHE HE1 HE2    101 MET 3HB 2HB  5.60  
 &rst iat= -1, -1, r1= 6.56, r2= 7.06, r3= 7.06, r4= 7.56,
 igr1= 982, 986,   igr2= 1693, 1692,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 ASN 3HB 2HB    62 ASN H 3.14 
 &rst iat= 992, -1, r1= 3.02, r2= 3.52, r3= 3.52, r4= 4.02,
 igr1= 0,  igr2= 997, 996,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 ASN 3HB 2HB    63 GLN H 3.78 
 &rst iat= -1, 1006, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 997, 996,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HB 2HB    63 GLN HA 3.23 
 &rst iat= 1008, -1, r1= 3.13, r2= 3.63, r3= 3.63, r4= 4.13,
 igr1= 0,  igr2= 1063, 1062,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HB 2HB    63 GLN HE22 4.09 
 &rst iat= 1019, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 1063, 1062,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE H  88 LEU CG 4.98 
 &rst iat=  1023, 1472, r1= 4.48, r2= 4.98,
 r3= 9.38, r4= 9.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE HB  88 LEU CG 4.81 
 &rst iat=  1027, 1472, r1= 4.31, r2= 4.81,
 r3= 9.21, r4= 9.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    68 LEU 3HB 2HB  4.82  
 &rst iat= -1, -1, r1= 6.00, r2= 6.50, r3= 6.50, r4= 7.00,
 igr1= 1031, 1030, 1029,   igr2= 1104, 1103,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    68 LEU CG 2.98 
 &rst iat= -1, 1105, r1= 3.08, r2= 3.58, r3= 7.98, r4= 8.48,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    85 LEU CG 3.34 
 &rst iat= -1, 1412, r1= 3.51, r2= 4.01, r3= 8.41, r4= 8.91,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HG2 2HG2 1HG2    88 LEU CG 3.00 
 &rst iat= -1, 1472, r1= 3.10, r2= 3.60, r3= 8.00, r4= 8.50,
 igr1= 1031, 1030, 1029,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ILE 3HD1 2HD1 1HD1    88 LEU CG 3.37 
 &rst iat= -1, 1472, r1= 3.55, r2= 4.05, r3= 8.45, r4= 8.95,
 igr1= 1038, 1037, 1036,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL H  68 LEU CG 5.07 
 &rst iat=  1042, 1105, r1= 4.57, r2= 5.07,
 r3= 9.47, r4= 9.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL H  88 LEU CG 4.65 
 &rst iat=  1042, 1472, r1= 4.15, r2= 4.65,
 r3= 9.05, r4= 9.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU 3HB 2HB    65 VAL HA 4.01 
 &rst iat= 1044, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 0,  igr2= 1104, 1103,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL HA  68 LEU CG 3.40 
 &rst iat=  1044, 1105, r1= 2.90, r2= 3.40,
 r3= 7.80, r4= 8.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL HA  85 LEU CG 3.96 
 &rst iat=  1044, 1412, r1= 3.46, r2= 3.96,
 r3= 8.36, r4= 8.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 VAL 1HG1 2HG1 3HG1    85 LEU CG 3.68 
 &rst iat= -1, 1412, r1= 3.92, r2= 4.42, r3= 8.82, r4= 9.32,
 igr1= 1048, 1049, 1050,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    68 LEU CG 4.60 
 &rst iat= -1, 1105, r1= 5.02, r2= 5.52, r3= 9.92, r4= 10.42,
 igr1= 1054, 1052, 1053,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 VAL 3HG2 1HG2 2HG2    88 LEU CG 3.52 
 &rst iat= -1, 1472, r1= 3.73, r2= 4.23, r3= 8.63, r4= 9.13,
 igr1= 1054, 1052, 1053,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HB 2HB    66 LYS H 2.69 
 &rst iat= 1058, -1, r1= 2.52, r2= 3.02, r3= 3.02, r4= 3.52,
 igr1= 0,  igr2= 1063, 1062,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID 2HB 3HB    66 LYS HA 5.30 
 &rst iat= 1060, -1, r1= 5.45, r2= 5.95, r3= 5.95, r4= 6.45,
 igr1= 0,  igr2= 1122, 1123,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HB 2HB    67 ILE H 3.52 
 &rst iat= -1, 1080, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 1063, 1062,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE H  68 LEU CG 5.52 
 &rst iat=  1080, 1105, r1= 5.02, r2= 5.52,
 r3= 9.92, r4= 10.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    68 LEU 3HB 2HB  5.77  
 &rst iat= -1, -1, r1= 7.28, r2= 7.78, r3= 7.78, r4= 8.28,
 igr1= 1086, 1088, 1087,   igr2= 1104, 1103,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ILE 1HG2 3HG2 2HG2    68 LEU CG 4.32 
 &rst iat= -1, 1105, r1= 4.69, r2= 5.19, r3= 9.59, r4= 10.09,
 igr1= 1086, 1088, 1087,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 3HB 2HB    68 LEU H 3.13 
 &rst iat= 1099, -1, r1= 3.01, r2= 3.51, r3= 3.51, r4= 4.01,
 igr1= 0,  igr2= 1104, 1103,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU H  68 LEU CG 3.28 
 &rst iat=  1099, 1105, r1= 2.78, r2= 3.28,
 r3= 7.68, r4= 8.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU HA  68 LEU CG 3.20 
 &rst iat=  1101, 1105, r1= 2.70, r2= 3.20,
 r3= 7.60, r4= 8.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE 3HG1 2HG1    68 LEU HA 4.77 
 &rst iat= 1101, -1, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 0,  igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 3HB 2HB    68 LEU CG 2.81 
 &rst iat= -1, 1105, r1= 2.65, r2= 3.15, r3= 7.55, r4= 8.05,
 igr1= 1104, 1103,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 3HB 2HB    69 HID H 3.68 
 &rst iat= -1, 1118, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 1104, 1103,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 3HB 2HB    72 TYR H 5.06 
 &rst iat= -1, 1167, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 1104, 1103,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 3HB 2HB    81 ILE 3HG1 2HG1  3.87  
 &rst iat= -1, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 1104, 1103,   igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 3HB 2HB    112 LEU 1HD1 3HD1 2HD1  3.61  
 &rst iat= -1, -1, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 1104, 1103,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU 3HB 2HB    112 LEU 1HD2 3HD2 2HD2  3.62  
 &rst iat= -1, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 1104, 1103,   igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU CG  69 HID H 4.35 
 &rst iat=  1105, 1118, r1= 3.85, r2= 4.35,
 r3= 8.75, r4= 9.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  70 ASP H 5.96 
 &rst iat=  1105, 1135, r1= 5.46, r2= 5.96,
 r3= 10.36, r4= 10.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  71 PHE H 5.40 
 &rst iat=  1105, 1147, r1= 4.90, r2= 5.40,
 r3= 9.80, r4= 10.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  72 TYR H 4.03 
 &rst iat=  1105, 1167, r1= 3.53, r2= 4.03,
 r3= 8.43, r4= 8.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  72 TYR HA 4.72 
 &rst iat=  1105, 1169, r1= 4.22, r2= 4.72,
 r3= 9.12, r4= 9.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  72 TYR HB3 4.40 
 &rst iat=  1105, 1172, r1= 3.90, r2= 4.40,
 r3= 8.80, r4= 9.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 TYR HE1 HE2    68 LEU CG 3.74 
 &rst iat= 1105, -1, r1= 3.70, r2= 4.20, r3= 8.60, r4= 9.10,
 igr1= 0,  igr2= 1177, 1182,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU CG  72 TYR HH 4.87 
 &rst iat=  1105, 1180, r1= 4.37, r2= 4.87,
 r3= 9.27, r4= 9.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  76 GLU H 6.40 
 &rst iat=  1105, 1244, r1= 5.90, r2= 6.40,
 r3= 10.80, r4= 11.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  81 ILE HA 3.43 
 &rst iat=  1105, 1335, r1= 2.93, r2= 3.43,
 r3= 7.83, r4= 8.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    68 LEU CG 3.35 
 &rst iat= 1105, -1, r1= 3.52, r2= 4.02, r3= 8.42, r4= 8.92,
 igr1= 0,  igr2= 1341, 1340, 1339,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG1 2HG1    68 LEU CG 3.83 
 &rst iat= 1105, -1, r1= 3.80, r2= 4.30, r3= 8.70, r4= 9.20,
 igr1= 0,  igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 1HD1 3HD1 2HD1    68 LEU CG 4.13 
 &rst iat= 1105, -1, r1= 4.46, r2= 4.96, r3= 9.36, r4= 9.86,
 igr1= 0,  igr2= 1346, 1348, 1347,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU CG  82 PHE H 5.18 
 &rst iat=  1105, 1352, r1= 4.68, r2= 5.18,
 r3= 9.58, r4= 10.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  83 GLU H 5.74 
 &rst iat=  1105, 1372, r1= 5.24, r2= 5.74,
 r3= 10.14, r4= 10.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  84 ILE H 4.60 
 &rst iat=  1105, 1387, r1= 4.10, r2= 4.60,
 r3= 9.00, r4= 9.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  84 ILE HB 3.77 
 &rst iat=  1105, 1391, r1= 3.27, r2= 3.77,
 r3= 8.17, r4= 8.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    68 LEU CG 3.00 
 &rst iat= 1105, -1, r1= 3.10, r2= 3.60, r3= 8.00, r4= 8.50,
 igr1= 0,  igr2= 1395, 1394, 1393,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 LEU CG  85 LEU H 4.07 
 &rst iat=  1105, 1406, r1= 3.57, r2= 4.07,
 r3= 8.47, r4= 8.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  85 LEU HA 5.08 
 &rst iat=  1105, 1408, r1= 4.58, r2= 5.08,
 r3= 9.48, r4= 9.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 LEU CG  85 LEU CG 3.91 
 &rst iat=  1105, 1412, r1= 3.41, r2= 3.91,
 r3= 12.71, r4= 13.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU 1HD1 3HD1 2HD1    68 LEU CG 3.79 
 &rst iat= 1105, -1, r1= 4.05, r2= 4.55, r3= 8.95, r4= 9.45,
 igr1= 0,  igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    68 LEU CG 4.50 
 &rst iat= 1105, -1, r1= 4.90, r2= 5.40, r3= 9.80, r4= 10.30,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID 2HB 3HB    70 ASP H 3.41 
 &rst iat= -1, 1135, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 1122, 1123,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID 2HB 3HB    108 ILE 3HD1 2HD1 1HD1  4.15  
 &rst iat= -1, -1, r1= 5.09, r2= 5.59, r3= 5.59, r4= 6.09,
 igr1= 1122, 1123,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 HID 2HB 3HB    112 LEU 1HD1 3HD1 2HD1  5.16  
 &rst iat= -1, -1, r1= 6.46, r2= 6.96, r3= 6.96, r4= 7.46,
 igr1= 1122, 1123,   igr2= 1876, 1878, 1877,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP 2HB 3HB    70 ASP H 3.36 
 &rst iat= 1135, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 1139, 1140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP 2HB 3HB    71 PHE H 4.23 
 &rst iat= -1, 1147, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 1139, 1140,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP 2HB 3HB    71 PHE HD1 HD2  5.18  
 &rst iat= -1, -1, r1= 5.31, r2= 5.81, r3= 10.21, r4= 10.71,
 igr1= 1139, 1140,   igr2= 1155, 1163,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HE 2HE    71 PHE HA 5.06 
 &rst iat= 1149, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 1236, 1235,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HD1 HD2    75 LYS 3HD 2HD  5.93  
 &rst iat= -1, -1, r1= 6.16, r2= 6.66, r3= 11.06, r4= 11.56,
 igr1= 1155, 1163,   igr2= 1233, 1232,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 PHE HD1 HD2    75 LYS 3HE 2HE  4.07  
 &rst iat= -1, -1, r1= 4.07, r2= 4.57, r3= 8.97, r4= 9.47,
 igr1= 1155, 1163,   igr2= 1236, 1235,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG1 2HG1    72 TYR H 4.70 
 &rst iat= 1167, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 0,  igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU 2HG 3HG    72 TYR HA 5.47 
 &rst iat= 1169, -1, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 0,  igr2= 1251, 1252,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HD1 HD2    80 LEU 3HB 2HB  4.18  
 &rst iat= -1, -1, r1= 4.19, r2= 4.69, r3= 9.09, r4= 9.59,
 igr1= 1175, 1184,   igr2= 1319, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HD1 HD2    80 LEU CG 4.19 
 &rst iat= -1, 1320, r1= 4.20, r2= 4.70, r3= 9.10, r4= 9.60,
 igr1= 1175, 1184,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    76 GLU 2HG 3HG  4.03  
 &rst iat= -1, -1, r1= 4.02, r2= 4.52, r3= 8.92, r4= 9.42,
 igr1= 1177, 1182,   igr2= 1251, 1252,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HE1 HE2    80 LEU CG 3.20 
 &rst iat= -1, 1320, r1= 3.09, r2= 3.59, r3= 7.99, r4= 8.49,
 igr1= 1177, 1182,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU 2HG 3HG    72 TYR HH 5.44 
 &rst iat= 1180, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 0,  igr2= 1251, 1252,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 TYR HH  80 LEU CG 4.49 
 &rst iat=  1180, 1320, r1= 3.99, r2= 4.49,
 r3= 8.89, r4= 9.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 GLU 2HG 3HG    73 ILE H 4.88 
 &rst iat= 1188, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 1214, 1215,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG1 2HG1    73 ILE H 4.88 
 &rst iat= 1188, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 0,  igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ILE 1HG2 2HG2 3HG2    74 GLU 2HG 3HG  3.79  
 &rst iat= -1, -1, r1= 4.05, r2= 4.55, r3= 8.95, r4= 9.45,
 igr1= 1194, 1195, 1196,   igr2= 1214, 1215,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG1 2HG1    73 ILE HG13 4.21 
 &rst iat= 1199, -1, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 0,  igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU 2HG 3HG    74 GLU H 3.36 
 &rst iat= 1207, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 1214, 1215,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU 2HG 3HG    74 GLU HA 3.16 
 &rst iat= 1209, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 1214, 1215,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU 2HG 3HG    75 LYS H 4.14 
 &rst iat= -1, 1222, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 1214, 1215,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 GLU 2HG 3HG    75 LYS 3HG 2HG  5.10  
 &rst iat= -1, -1, r1= 5.22, r2= 5.72, r3= 10.12, r4= 10.62,
 igr1= 1214, 1215,   igr2= 1230, 1229,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HB 2HB    75 LYS H 3.24 
 &rst iat= 1222, -1, r1= 3.14, r2= 3.64, r3= 3.64, r4= 4.14,
 igr1= 0,  igr2= 1227, 1226,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HD 2HD    75 LYS H 3.70 
 &rst iat= 1222, -1, r1= 3.65, r2= 4.15, r3= 4.15, r4= 4.65,
 igr1= 0,  igr2= 1233, 1232,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HE 2HE    75 LYS H 4.95 
 &rst iat= 1222, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 0,  igr2= 1236, 1235,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU 2HG 3HG    75 LYS H 5.37 
 &rst iat= 1222, -1, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 0,  igr2= 1251, 1252,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HD 2HD    75 LYS HA 3.73 
 &rst iat= 1224, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 1233, 1232,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HE 2HE    75 LYS HA 5.47 
 &rst iat= 1224, -1, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 0,  igr2= 1236, 1235,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HB 2HB    75 LYS 3HE 2HE  4.60  
 &rst iat= -1, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 1227, 1226,   igr2= 1236, 1235,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HB 2HB    76 GLU H 3.80 
 &rst iat= -1, 1244, r1= 3.77, r2= 4.27, r3= 4.27, r4= 4.77,
 igr1= 1227, 1226,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HG 2HG    75 LYS 3HE 2HE  3.40  
 &rst iat= -1, -1, r1= 3.32, r2= 3.82, r3= 8.22, r4= 8.72,
 igr1= 1230, 1229,   igr2= 1236, 1235,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LYS 3HD 2HD    76 GLU H 5.38 
 &rst iat= -1, 1244, r1= 5.54, r2= 6.04, r3= 6.04, r4= 6.54,
 igr1= 1233, 1232,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU 2HG 3HG    76 GLU H 3.86 
 &rst iat= 1244, -1, r1= 3.83, r2= 4.33, r3= 4.33, r4= 4.83,
 igr1= 0,  igr2= 1251, 1252,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLU 2HG 3HG    77 LYS H 4.56 
 &rst iat= -1, 1259, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 1251, 1252,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS 3HD 2HD    77 LYS H 4.87 
 &rst iat= 1259, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 1270, 1269,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS H  80 LEU CG 4.06 
 &rst iat=  1259, 1320, r1= 3.56, r2= 4.06,
 r3= 8.46, r4= 8.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS HG3  80 LEU CG 3.21 
 &rst iat=  1267, 1320, r1= 2.71, r2= 3.21,
 r3= 7.61, r4= 8.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LYS 3HD 2HD    79 LEU H 4.18 
 &rst iat= -1, 1295, r1= 4.19, r2= 4.69, r3= 4.69, r4= 5.19,
 igr1= 1270, 1269,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS 3HD 2HD    80 LEU H 3.47 
 &rst iat= -1, 1314, r1= 3.39, r2= 3.89, r3= 3.89, r4= 4.39,
 igr1= 1270, 1269,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LYS 3HD 2HD    80 LEU CG 4.39 
 &rst iat= -1, 1320, r1= 4.43, r2= 4.93, r3= 9.33, r4= 9.83,
 igr1= 1270, 1269,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO 2HG 3HG    79 LEU H 3.58 
 &rst iat= -1, 1295, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 1285, 1286,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO 2HG 3HG    119 SER H 5.55 
 &rst iat= -1, 1990, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 1285, 1286,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 PRO 2HG 3HG    119 SER HA 5.06 
 &rst iat= -1, 1992, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 1285, 1286,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU H  79 LEU CG 3.44 
 &rst iat=  1295, 1301, r1= 2.94, r2= 3.44,
 r3= 7.84, r4= 8.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU H  80 LEU CG 5.24 
 &rst iat=  1295, 1320, r1= 4.74, r2= 5.24,
 r3= 9.64, r4= 10.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU HA  79 LEU CG 2.98 
 &rst iat=  1297, 1301, r1= 2.48, r2= 2.98,
 r3= 7.38, r4= 7.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 LEU CG  82 PHE HB3 4.68 
 &rst iat=  1301, 1357, r1= 4.18, r2= 4.68,
 r3= 9.08, r4= 9.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    79 LEU CG 3.48 
 &rst iat= 1301, -1, r1= 3.41, r2= 3.91, r3= 8.31, r4= 8.81,
 igr1= 0,  igr2= 1368, 1360,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 LEU CG  83 GLU H 5.56 
 &rst iat=  1301, 1372, r1= 5.06, r2= 5.56,
 r3= 9.96, r4= 10.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU 3HG 2HG    79 LEU CG 4.47 
 &rst iat= 1301, -1, r1= 4.52, r2= 5.02, r3= 9.42, r4= 9.92,
 igr1= 0,  igr2= 1380, 1379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD1 1HD1 2HD1    79 LEU CG 3.97 
 &rst iat= 1301, -1, r1= 4.27, r2= 4.77, r3= 9.17, r4= 9.67,
 igr1= 0,  igr2= 2019, 2017, 2018,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LEU 3HD2 1HD2 2HD2    79 LEU CG 2.77 
 &rst iat= 1301, -1, r1= 2.83, r2= 3.33, r3= 7.73, r4= 8.23,
 igr1= 0,  igr2= 2023, 2021, 2022,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 3HB 2HB    80 LEU H 3.11 
 &rst iat= 1314, -1, r1= 2.99, r2= 3.49, r3= 3.49, r4= 3.99,
 igr1= 0,  igr2= 1319, 1318,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU H  80 LEU CG 3.40 
 &rst iat=  1314, 1320, r1= 2.90, r2= 3.40,
 r3= 7.80, r4= 8.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU HA  80 LEU CG 2.79 
 &rst iat=  1316, 1320, r1= 2.29, r2= 2.79,
 r3= 7.19, r4= 7.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU 3HB 2HB    80 LEU HA 3.72 
 &rst iat= 1316, -1, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 0,  igr2= 1377, 1376,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU 3HB 2HB    80 LEU CG 2.79 
 &rst iat= -1, 1320, r1= 2.63, r2= 3.13, r3= 7.53, r4= 8.03,
 igr1= 1319, 1318,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU CG  81 ILE H 4.00 
 &rst iat=  1320, 1333, r1= 3.50, r2= 4.00,
 r3= 8.40, r4= 8.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU CG  83 GLU H 4.38 
 &rst iat=  1320, 1372, r1= 3.88, r2= 4.38,
 r3= 8.78, r4= 9.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU 3HB 2HB    80 LEU CG 2.99 
 &rst iat= 1320, -1, r1= 2.86, r2= 3.36, r3= 7.76, r4= 8.26,
 igr1= 0,  igr2= 1377, 1376,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 LEU CG  84 ILE H 3.87 
 &rst iat=  1320, 1387, r1= 3.37, r2= 3.87,
 r3= 8.27, r4= 8.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU CG  84 ILE HG12 2.82 
 &rst iat=  1320, 1397, r1= 2.32, r2= 2.82,
 r3= 7.22, r4= 7.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 LEU CG  84 ILE HG13 3.99 
 &rst iat=  1320, 1398, r1= 3.49, r2= 3.99,
 r3= 8.39, r4= 8.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE 1HD1 3HD1 2HD1    80 LEU CG 3.16 
 &rst iat= 1320, -1, r1= 3.29, r2= 3.79, r3= 8.19, r4= 8.69,
 igr1= 0,  igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG1 2HG1    81 ILE H 3.30 
 &rst iat= 1333, -1, r1= 3.20, r2= 3.70, r3= 3.70, r4= 4.20,
 igr1= 0,  igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG1 2HG1    81 ILE HA 3.48 
 &rst iat= 1335, -1, r1= 3.41, r2= 3.91, r3= 3.91, r4= 4.41,
 igr1= 0,  igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    81 ILE 3HG1 2HG1  3.12  
 &rst iat= -1, -1, r1= 3.71, r2= 4.21, r3= 4.21, r4= 4.71,
 igr1= 1341, 1340, 1339,   igr2= 1344, 1343,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 ILE 3HG2 2HG2 1HG2    85 LEU CG 2.95 
 &rst iat= -1, 1412, r1= 3.04, r2= 3.54, r3= 7.94, r4= 8.44,
 igr1= 1341, 1340, 1339,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE H  85 LEU CG 4.96 
 &rst iat=  1352, 1412, r1= 4.46, r2= 4.96,
 r3= 9.36, r4= 9.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU 3HB 2HB    82 PHE HA 4.12 
 &rst iat= 1354, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HA  85 LEU CG 3.82 
 &rst iat=  1354, 1412, r1= 3.32, r2= 3.82,
 r3= 8.22, r4= 8.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HA  129 LEU CG 4.75 
 &rst iat=  1354, 2135, r1= 4.25, r2= 4.75,
 r3= 9.15, r4= 9.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    83 GLU 3HG 2HG  4.76  
 &rst iat= -1, -1, r1= 4.84, r2= 5.34, r3= 9.74, r4= 10.24,
 igr1= 1368, 1360,   igr2= 1380, 1379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    85 LEU CG 4.23 
 &rst iat= -1, 1412, r1= 4.25, r2= 4.75, r3= 9.15, r4= 9.65,
 igr1= 1368, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    129 LEU CG 3.51 
 &rst iat= -1, 2135, r1= 3.44, r2= 3.94, r3= 8.34, r4= 8.84,
 igr1= 1368, 1360,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    86 GLN 3HG 2HG  5.53  
 &rst iat= -1, -1, r1= 5.71, r2= 6.21, r3= 10.61, r4= 11.11,
 igr1= 1362, 1366,   igr2= 1433, 1432,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    129 LEU 2HB 3HB  3.60  
 &rst iat= -1, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 1362, 1366,   igr2= 2133, 2134,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HE1 HE2    129 LEU CG 3.42 
 &rst iat= -1, 2135, r1= 3.34, r2= 3.84, r3= 8.24, r4= 8.74,
 igr1= 1362, 1366,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HB 3HB    82 PHE HZ 5.61 
 &rst iat= 1364, -1, r1= 5.80, r2= 6.30, r3= 6.30, r4= 6.80,
 igr1= 0,  igr2= 2133, 2134,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HZ  129 LEU CG 4.29 
 &rst iat=  1364, 2135, r1= 3.79, r2= 4.29,
 r3= 8.69, r4= 9.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU 3HB 2HB    83 GLU H 2.90 
 &rst iat= 1372, -1, r1= 2.76, r2= 3.26, r3= 3.26, r4= 3.76,
 igr1= 0,  igr2= 1377, 1376,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU 3HG 2HG    83 GLU H 3.36 
 &rst iat= 1372, -1, r1= 3.27, r2= 3.77, r3= 3.77, r4= 4.27,
 igr1= 0,  igr2= 1380, 1379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU H  85 LEU CG 5.83 
 &rst iat=  1372, 1412, r1= 5.33, r2= 5.83,
 r3= 10.23, r4= 10.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 GLU 3HG 2HG    83 GLU HA 3.55 
 &rst iat= 1374, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 1380, 1379,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN 3HG 2HG    83 GLU HA 4.54 
 &rst iat= 1374, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1433, 1432,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU 3HB 2HB    84 ILE H 3.22 
 &rst iat= -1, 1387, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 1377, 1376,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU 3HB 2HB    84 ILE HA 4.98 
 &rst iat= -1, 1389, r1= 5.09, r2= 5.59, r3= 5.59, r4= 6.09,
 igr1= 1377, 1376,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU 3HB 2HB    84 ILE 1HD1 3HD1 2HD1  4.60  
 &rst iat= -1, -1, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 1377, 1376,   igr2= 1400, 1402, 1401,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU 3HB 2HB    86 GLN H 5.63 
 &rst iat= -1, 1425, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 1377, 1376,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 GLU 3HG 2HG    84 ILE H 4.89 
 &rst iat= -1, 1387, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 1380, 1379,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE HB  85 LEU CG 5.34 
 &rst iat=  1391, 1412, r1= 4.84, r2= 5.34,
 r3= 9.74, r4= 10.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    85 LEU CG 4.41 
 &rst iat= -1, 1412, r1= 4.80, r2= 5.30, r3= 9.70, r4= 10.20,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 ILE 3HG2 2HG2 1HG2    88 LEU CG 4.51 
 &rst iat= -1, 1472, r1= 4.92, r2= 5.42, r3= 9.82, r4= 10.32,
 igr1= 1395, 1394, 1393,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HB 2HB    85 LEU H 3.11 
 &rst iat= 1406, -1, r1= 2.99, r2= 3.49, r3= 3.49, r4= 3.99,
 igr1= 0,  igr2= 1411, 1410,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU H  85 LEU CG 3.23 
 &rst iat=  1406, 1412, r1= 2.73, r2= 3.23,
 r3= 7.63, r4= 8.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  88 LEU CG 4.95 
 &rst iat=  1406, 1472, r1= 4.45, r2= 4.95,
 r3= 9.35, r4= 9.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  129 LEU CG 4.90 
 &rst iat=  1406, 2135, r1= 4.40, r2= 4.90,
 r3= 9.30, r4= 9.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HA  85 LEU CG 3.12 
 &rst iat=  1408, 1412, r1= 2.62, r2= 3.12,
 r3= 7.52, r4= 8.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HA  88 LEU CG 3.88 
 &rst iat=  1408, 1472, r1= 3.38, r2= 3.88,
 r3= 8.28, r4= 8.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU 3HB 2HB    86 GLN H 3.34 
 &rst iat= -1, 1425, r1= 3.25, r2= 3.75, r3= 3.75, r4= 4.25,
 igr1= 1411, 1410,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HB 2HB    87 ARG H 5.91 
 &rst iat= -1, 1442, r1= 6.13, r2= 6.63, r3= 6.63, r4= 7.13,
 igr1= 1411, 1410,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HB 2HB    113 PHE HZ 4.13 
 &rst iat= -1, 1898, r1= 4.14, r2= 4.64, r3= 4.64, r4= 5.14,
 igr1= 1411, 1410,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HB 2HB    129 LEU CG 3.68 
 &rst iat= -1, 2135, r1= 3.63, r2= 4.13, r3= 8.53, r4= 9.03,
 igr1= 1411, 1410,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU 3HB 2HB    133 TYR HH 4.12 
 &rst iat= -1, 2229, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 1411, 1410,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU CG  88 LEU H 5.15 
 &rst iat=  1412, 1466, r1= 4.65, r2= 5.15,
 r3= 9.55, r4= 10.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU CG  88 LEU CG 3.08 
 &rst iat=  1412, 1472, r1= 2.58, r2= 3.08,
 r3= 11.88, r4= 12.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU CG  112 LEU H 6.12 
 &rst iat=  1412, 1867, r1= 5.62, r2= 6.12,
 r3= 10.52, r4= 11.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU CG  112 LEU HA 5.79 
 &rst iat=  1412, 1869, r1= 5.29, r2= 5.79,
 r3= 10.19, r4= 10.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU CG  112 LEU HB2 4.21 
 &rst iat=  1412, 1871, r1= 3.71, r2= 4.21,
 r3= 8.61, r4= 9.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU CG  112 LEU HB3 4.87 
 &rst iat=  1412, 1872, r1= 4.37, r2= 4.87,
 r3= 9.27, r4= 9.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 LEU 1HD2 3HD2 2HD2    85 LEU CG 4.86 
 &rst iat= 1412, -1, r1= 5.34, r2= 5.84, r3= 10.24, r4= 10.74,
 igr1= 0,  igr2= 1880, 1882, 1881,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU CG  113 PHE H 4.62 
 &rst iat=  1412, 1886, r1= 4.12, r2= 4.62,
 r3= 9.02, r4= 9.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU CG  113 PHE HA 5.24 
 &rst iat=  1412, 1888, r1= 4.74, r2= 5.24,
 r3= 9.64, r4= 10.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 PHE HD1 HD2    85 LEU CG 4.17 
 &rst iat= 1412, -1, r1= 4.18, r2= 4.68, r3= 9.08, r4= 9.58,
 igr1= 0,  igr2= 1894, 1902,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    85 LEU CG 4.15 
 &rst iat= 1412, -1, r1= 4.16, r2= 4.66, r3= 9.06, r4= 9.56,
 igr1= 0,  igr2= 1900, 1896,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU CG  113 PHE HZ 4.35 
 &rst iat=  1412, 1898, r1= 3.85, r2= 4.35,
 r3= 8.75, r4= 9.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 ILE 2HD1 1HD1 3HD1    85 LEU CG 3.21 
 &rst iat= 1412, -1, r1= 3.36, r2= 3.86, r3= 8.26, r4= 8.76,
 igr1= 0,  igr2= 1951, 1950, 1952,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU CG  129 LEU CG 4.35 
 &rst iat=  1412, 2135, r1= 3.85, r2= 4.35,
 r3= 13.15, r4= 13.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HE1 HE2    85 LEU CG 4.07 
 &rst iat= 1412, -1, r1= 4.07, r2= 4.57, r3= 8.97, r4= 9.47,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU CG  133 TYR HH 3.75 
 &rst iat=  1412, 2229, r1= 3.25, r2= 3.75,
 r3= 8.15, r4= 8.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN 3HG 2HG    86 GLN H 3.88 
 &rst iat= 1425, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 1433, 1432,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN H  129 LEU CG 3.47 
 &rst iat=  1425, 2135, r1= 2.97, r2= 3.47,
 r3= 7.87, r4= 8.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN 3HG 2HG    86 GLN HA 3.63 
 &rst iat= 1427, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 1433, 1432,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN HA  129 LEU CG 3.02 
 &rst iat=  1427, 2135, r1= 2.52, r2= 3.02,
 r3= 7.42, r4= 7.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN HB3  129 LEU CG 4.38 
 &rst iat=  1430, 2135, r1= 3.88, r2= 4.38,
 r3= 8.78, r4= 9.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 GLN 3HG 2HG    86 GLN HE21 3.09 
 &rst iat= -1, 1437, r1= 2.97, r2= 3.47, r3= 3.47, r4= 3.97,
 igr1= 1433, 1432,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN 3HG 2HG    87 ARG H 4.66 
 &rst iat= -1, 1442, r1= 4.73, r2= 5.23, r3= 5.23, r4= 5.73,
 igr1= 1433, 1432,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN 3HG 2HG    87 ARG HD2 5.25 
 &rst iat= -1, 1452, r1= 5.39, r2= 5.89, r3= 5.89, r4= 6.39,
 igr1= 1433, 1432,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN 3HG 2HG    89 SER HG 5.21 
 &rst iat= -1, 1492, r1= 5.35, r2= 5.85, r3= 5.85, r4= 6.35,
 igr1= 1433, 1432,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN 3HG 2HG    129 LEU CG 4.21 
 &rst iat= -1, 2135, r1= 4.23, r2= 4.73, r3= 9.13, r4= 9.63,
 igr1= 1433, 1432,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 GLN HE21  129 LEU CG 5.23 
 &rst iat=  1437, 2135, r1= 4.73, r2= 5.23,
 r3= 9.63, r4= 10.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG 2HB 3HB    87 ARG H 3.25 
 &rst iat= 1442, -1, r1= 3.15, r2= 3.65, r3= 3.65, r4= 4.15,
 igr1= 0,  igr2= 1446, 1447,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ARG H  88 LEU CG 5.00 
 &rst iat=  1442, 1472, r1= 4.50, r2= 5.00,
 r3= 9.40, r4= 9.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG H  129 LEU CG 5.08 
 &rst iat=  1442, 2135, r1= 4.58, r2= 5.08,
 r3= 9.48, r4= 9.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 ARG 2HB 3HB    88 LEU H 3.54 
 &rst iat= -1, 1466, r1= 3.47, r2= 3.97, r3= 3.97, r4= 4.47,
 igr1= 1446, 1447,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ARG 2HB 3HB    89 SER H 4.96 
 &rst iat= -1, 1485, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 1446, 1447,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 ARG 2HB 3HB    90 GLU H 5.13 
 &rst iat= -1, 1496, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 1446, 1447,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HB 2HB    88 LEU H 3.19 
 &rst iat= 1466, -1, r1= 3.08, r2= 3.58, r3= 3.58, r4= 4.08,
 igr1= 0,  igr2= 1471, 1470,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU H  88 LEU CG 3.24 
 &rst iat=  1466, 1472, r1= 2.74, r2= 3.24,
 r3= 7.64, r4= 8.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU H  129 LEU CG 5.93 
 &rst iat=  1466, 2135, r1= 5.43, r2= 5.93,
 r3= 10.33, r4= 10.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU HA  88 LEU CG 3.12 
 &rst iat=  1468, 1472, r1= 2.62, r2= 3.12,
 r3= 7.52, r4= 8.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 LEU 3HB 2HB    89 SER H 3.95 
 &rst iat= -1, 1485, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 1471, 1470,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HB 2HB    91 LEU 1HD1 2HD1 3HD1  4.43  
 &rst iat= -1, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 1471, 1470,   igr2= 1520, 1521, 1522,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HB 2HB    133 TYR HE1 HE2  5.09  
 &rst iat= -1, -1, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 1471, 1470,   igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU 3HB 2HB    133 TYR HH 4.20 
 &rst iat= -1, 2229, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 1471, 1470,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU CG  89 SER H 4.49 
 &rst iat=  1472, 1485, r1= 3.99, r2= 4.49,
 r3= 8.89, r4= 9.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HD2 HD1    88 LEU CG 5.95 
 &rst iat= 1472, -1, r1= 6.18, r2= 6.68, r3= 11.08, r4= 11.58,
 igr1= 0,  igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    88 LEU CG 4.28 
 &rst iat= 1472, -1, r1= 4.30, r2= 4.80, r3= 9.20, r4= 9.70,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 LEU CG  133 TYR HH 4.01 
 &rst iat=  1472, 2229, r1= 3.51, r2= 4.01,
 r3= 8.41, r4= 8.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU 3HB 2HB    89 SER H 5.34 
 &rst iat= 1485, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 0,  igr2= 1501, 1500,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU 3HG 2HG    89 SER H 4.65 
 &rst iat= 1485, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 0,  igr2= 1504, 1503,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 SER H  129 LEU CG 4.15 
 &rst iat=  1485, 2135, r1= 3.65, r2= 4.15,
 r3= 8.55, r4= 9.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HB2  129 LEU CG 4.00 
 &rst iat=  1489, 2135, r1= 3.50, r2= 4.00,
 r3= 8.40, r4= 8.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 SER HB3  129 LEU CG 3.81 
 &rst iat=  1490, 2135, r1= 3.31, r2= 3.81,
 r3= 8.21, r4= 8.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU 3HB 2HB    89 SER HG 5.90 
 &rst iat= 1492, -1, r1= 6.12, r2= 6.62, r3= 6.62, r4= 7.12,
 igr1= 0,  igr2= 1501, 1500,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU 3HG 2HG    89 SER HG 4.42 
 &rst iat= 1492, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1504, 1503,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 SER HG  129 LEU CG 3.76 
 &rst iat=  1492, 2135, r1= 3.26, r2= 3.76,
 r3= 8.16, r4= 8.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU 3HB 2HB    90 GLU H 3.11 
 &rst iat= 1496, -1, r1= 2.99, r2= 3.49, r3= 3.49, r4= 3.99,
 igr1= 0,  igr2= 1501, 1500,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU 3HG 2HG    90 GLU H 3.10 
 &rst iat= 1496, -1, r1= 2.98, r2= 3.48, r3= 3.48, r4= 3.98,
 igr1= 0,  igr2= 1504, 1503,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE 2HB 3HB    90 GLU H 5.84 
 &rst iat= 1496, -1, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 0,  igr2= 1580, 1581,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU H  129 LEU CG 5.37 
 &rst iat=  1496, 2135, r1= 4.87, r2= 5.37,
 r3= 9.77, r4= 10.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 GLU 3HG 2HG    90 GLU HA 3.05 
 &rst iat= 1498, -1, r1= 2.92, r2= 3.42, r3= 3.42, r4= 3.92,
 igr1= 0,  igr2= 1504, 1503,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU 3HB 2HB    91 LEU H 4.43 
 &rst iat= -1, 1511, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 1501, 1500,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 GLU 3HG 2HG    91 LEU H 4.94 
 &rst iat= -1, 1511, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 1504, 1503,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 3HB 2HB    91 LEU H 3.10 
 &rst iat= 1511, -1, r1= 2.98, r2= 3.48, r3= 3.48, r4= 3.98,
 igr1= 0,  igr2= 1516, 1515,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 3HB 2HB    92 LYS H 3.35 
 &rst iat= -1, 1530, r1= 3.26, r2= 3.76, r3= 3.76, r4= 4.26,
 igr1= 1516, 1515,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 LEU 3HB 2HB    94 PHE H 4.07 
 &rst iat= -1, 1576, r1= 4.07, r2= 4.57, r3= 4.57, r4= 5.07,
 igr1= 1516, 1515,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 LYS 3HG 2HG    92 LYS H 3.71 
 &rst iat= 1530, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 1538, 1537,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE 2HB 3HB    92 LYS H 6.27 
 &rst iat= 1530, -1, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 0,  igr2= 1580, 1581,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE 2HB 3HB    94 PHE H 3.08 
 &rst iat= 1576, -1, r1= 2.96, r2= 3.46, r3= 3.46, r4= 3.96,
 igr1= 0,  igr2= 1580, 1581,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE 2HB 3HB    95 ASP H 3.51 
 &rst iat= -1, 1596, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 1580, 1581,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE 2HB 3HB    97 ALA H 6.27 
 &rst iat= -1, 1625, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 1580, 1581,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE 2HB 3HB    98 VAL 2HG2 1HG2 3HG2  5.29  
 &rst iat= -1, -1, r1= 6.63, r2= 7.13, r3= 7.13, r4= 7.63,
 igr1= 1580, 1581,   igr2= 1646, 1645, 1647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HD2 HD1    132 ARG 2HB 3HB  4.43  
 &rst iat= -1, -1, r1= 4.47, r2= 4.97, r3= 9.37, r4= 9.87,
 igr1= 1592, 1584,   igr2= 2196, 2197,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    95 ASP 2HB 3HB  4.81  
 &rst iat= -1, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 1586, 1590,   igr2= 1600, 1601,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    132 ARG 2HB 3HB  3.99  
 &rst iat= -1, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1586, 1590,   igr2= 2196, 2197,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 PHE HE1 HE2    132 ARG 3HG 2HG  5.29  
 &rst iat= -1, -1, r1= 5.44, r2= 5.94, r3= 10.34, r4= 10.84,
 igr1= 1586, 1590,   igr2= 2200, 2199,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HG 2HG    94 PHE HZ 5.31 
 &rst iat= 1588, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 2200, 2199,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET 2HB 3HB    96 MET H 3.26 
 &rst iat= 1608, -1, r1= 3.16, r2= 3.66, r3= 3.66, r4= 4.16,
 igr1= 0,  igr2= 1612, 1613,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET 2HB 3HB    97 ALA 1HB 3HB 2HB  4.76  
 &rst iat= -1, -1, r1= 5.92, r2= 6.42, r3= 6.42, r4= 6.92,
 igr1= 1612, 1613,   igr2= 1629, 1631, 1630,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 MET 2HB 3HB    100 PHE HD1 HD2  4.07  
 &rst iat= -1, -1, r1= 4.07, r2= 4.57, r3= 8.97, r4= 9.47,
 igr1= 1612, 1613,   igr2= 1676, 1684,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  100 PHE 2HB 3HB    97 ALA HA 4.40 
 &rst iat= 1627, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 1672, 1673,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET 3HB 2HB    98 VAL H 4.64 
 &rst iat= 1635, -1, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 0,  igr2= 1656, 1655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    99 MET 3HB 2HB  5.01  
 &rst iat= -1, -1, r1= 6.25, r2= 6.75, r3= 6.75, r4= 7.25,
 igr1= 1642, 1641, 1643,   igr2= 1656, 1655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 VAL 2HG1 1HG1 3HG1    135 GLY 2HA 3HA  6.12  
 &rst iat= -1, -1, r1= 7.75, r2= 8.25, r3= 8.25, r4= 8.75,
 igr1= 1642, 1641, 1643,   igr2= 2246, 2247,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET 3HB 2HB    99 MET H 2.79 
 &rst iat= 1651, -1, r1= 2.63, r2= 3.13, r3= 3.13, r4= 3.63,
 igr1= 0,  igr2= 1656, 1655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET 3HG 2HG    99 MET H 4.22 
 &rst iat= 1651, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1659, 1658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET 3HG 2HG    99 MET HA 3.18 
 &rst iat= 1653, -1, r1= 3.07, r2= 3.57, r3= 3.57, r4= 4.07,
 igr1= 0,  igr2= 1659, 1658,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET 3HB 2HB    100 PHE H 3.37 
 &rst iat= -1, 1668, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 1656, 1655,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET 3HB 2HB    101 MET H 5.00 
 &rst iat= -1, 1688, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 1656, 1655,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 MET 3HG 2HG    100 PHE H 3.72 
 &rst iat= -1, 1668, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 1659, 1658,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  100 PHE 2HB 3HB    100 PHE H 2.86 
 &rst iat= 1668, -1, r1= 2.71, r2= 3.21, r3= 3.21, r4= 3.71,
 igr1= 0,  igr2= 1672, 1673,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 3HB 2HB    101 MET H 3.06 
 &rst iat= 1688, -1, r1= 2.93, r2= 3.43, r3= 3.43, r4= 3.93,
 igr1= 0,  igr2= 1693, 1692,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 3HG 2HG    101 MET H 3.06 
 &rst iat= 1688, -1, r1= 2.93, r2= 3.43, r3= 3.43, r4= 3.93,
 igr1= 0,  igr2= 1696, 1695,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 3HG 2HG    101 MET HA 3.58 
 &rst iat= 1690, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 1696, 1695,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 3HB 2HB    102 SER H 4.48 
 &rst iat= -1, 1705, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1693, 1692,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 3HG 2HG    101 MET 1HE 3HE 2HE  2.83  
 &rst iat= -1, -1, r1= 2.90, r2= 3.40, r3= 7.80, r4= 8.30,
 igr1= 1696, 1695,   igr2= 1699, 1701, 1700,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 3HG 2HG    102 SER H 4.10 
 &rst iat= -1, 1705, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 1696, 1695,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 3HG 2HG    106 LYS H 6.17 
 &rst iat= -1, 1760, r1= 6.43, r2= 6.93, r3= 6.93, r4= 7.43,
 igr1= 1696, 1695,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  101 MET 1HE 3HE 2HE    106 LYS 3HG 2HG  4.10  
 &rst iat= -1, -1, r1= 4.42, r2= 4.92, r3= 9.32, r4= 9.82,
 igr1= 1699, 1701, 1700,   igr2= 1768, 1767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  102 SER 2HB 3HB    102 SER H 3.60 
 &rst iat= 1705, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 1709, 1710,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU 3HB 2HB    102 SER H 3.55 
 &rst iat= 1705, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 1750, 1749,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU 3HG 2HG    102 SER H 4.23 
 &rst iat= 1705, -1, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 0,  igr2= 1753, 1752,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 3HG 2HG    102 SER H 6.27 
 &rst iat= 1705, -1, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 0,  igr2= 1768, 1767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  102 SER 2HB 3HB    103 GLU H 3.30 
 &rst iat= -1, 1716, r1= 3.20, r2= 3.70, r3= 3.70, r4= 4.20,
 igr1= 1709, 1710,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  102 SER 2HB 3HB    104 THR H 4.08 
 &rst iat= -1, 1731, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 1709, 1710,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 3HG 2HG    103 GLU H 6.27 
 &rst iat= 1716, -1, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 0,  igr2= 1768, 1767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  103 GLU 2HB 3HB    104 THR H 3.46 
 &rst iat= -1, 1731, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 1720, 1721,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  103 GLU 2HB 3HB    104 THR HA 4.38 
 &rst iat= -1, 1733, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 1720, 1721,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HG 2HG    104 THR H 5.99 
 &rst iat= 1731, -1, r1= 6.22, r2= 6.72, r3= 6.72, r4= 7.22,
 igr1= 0,  igr2= 1790, 1789,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HG 2HG    104 THR HA 4.01 
 &rst iat= 1733, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 0,  igr2= 1790, 1789,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU 3HB 2HB    105 GLU H 3.32 
 &rst iat= 1745, -1, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 0,  igr2= 1750, 1749,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU 3HG 2HG    105 GLU H 3.56 
 &rst iat= 1745, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 1753, 1752,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HG 2HG    105 GLU H 4.97 
 &rst iat= 1745, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 1790, 1789,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU 3HG 2HG    105 GLU HA 3.27 
 &rst iat= 1747, -1, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 0,  igr2= 1753, 1752,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU 3HG 2HG    106 LYS H 5.06 
 &rst iat= -1, 1760, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 1753, 1752,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLU 3HG 2HG    108 ILE 3HD1 2HD1 1HD1  4.11  
 &rst iat= -1, -1, r1= 4.44, r2= 4.94, r3= 9.34, r4= 9.84,
 igr1= 1753, 1752,   igr2= 1819, 1818, 1817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 3HG 2HG    106 LYS H 3.53 
 &rst iat= 1760, -1, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 0,  igr2= 1768, 1767,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LYS 3HG 2HG    107 LYS H 4.86 
 &rst iat= -1, 1782, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 1768, 1767,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HG 2HG    107 LYS H 2.93 
 &rst iat= 1782, -1, r1= 2.79, r2= 3.29, r3= 3.29, r4= 3.79,
 igr1= 0,  igr2= 1790, 1789,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG 2HD 3HD    107 LYS H 4.89 
 &rst iat= 1782, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 0,  igr2= 1843, 1844,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG 2HD 3HD    107 LYS HA 3.70 
 &rst iat= 1784, -1, r1= 3.65, r2= 4.15, r3= 4.15, r4= 4.65,
 igr1= 0,  igr2= 1843, 1844,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HG 2HG    107 LYS 2HE 3HE  3.65  
 &rst iat= -1, -1, r1= 3.60, r2= 4.10, r3= 8.50, r4= 9.00,
 igr1= 1790, 1789,   igr2= 1795, 1796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 LYS 3HG 2HG    108 ILE H 3.61 
 &rst iat= -1, 1804, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 1790, 1789,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG 2HD 3HD    110 ARG H 4.07 
 &rst iat= 1833, -1, r1= 4.07, r2= 4.57, r3= 4.57, r4= 5.07,
 igr1= 0,  igr2= 1843, 1844,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG 2HD 3HD    110 ARG HA 4.38 
 &rst iat= 1835, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 0,  igr2= 1843, 1844,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE 2HB 3HB    110 ARG HA 3.98 
 &rst iat= 1835, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 1890, 1891,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ARG 2HD 3HD    110 ARG HB2 3.33 
 &rst iat= 1837, -1, r1= 3.24, r2= 3.74, r3= 3.74, r4= 4.24,
 igr1= 0,  igr2= 1843, 1844,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE 2HB 3HB    113 PHE H 3.19 
 &rst iat= 1886, -1, r1= 3.08, r2= 3.58, r3= 3.58, r4= 4.08,
 igr1= 0,  igr2= 1890, 1891,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE 2HB 3HB    114 ASN H 3.60 
 &rst iat= -1, 1906, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 1890, 1891,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE 2HB 3HB    117 ASP H 6.25 
 &rst iat= -1, 1956, r1= 6.52, r2= 7.02, r3= 7.02, r4= 7.52,
 igr1= 1890, 1891,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    129 LEU 2HB 3HB  4.12  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 1900, 1896,   igr2= 2133, 2134,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HE2 HE1    129 LEU CG 3.34 
 &rst iat= -1, 2135, r1= 3.25, r2= 3.75, r3= 8.15, r4= 8.65,
 igr1= 1900, 1896,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HB 3HB    113 PHE HZ 4.20 
 &rst iat= 1898, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 2133, 2134,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 PHE HZ  129 LEU CG 3.59 
 &rst iat=  1898, 2135, r1= 3.09, r2= 3.59,
 r3= 7.99, r4= 8.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 LYS 2HG 3HG    115 HID H 5.19 
 &rst iat= 1920, -1, r1= 5.33, r2= 5.83, r3= 5.83, r4= 6.33,
 igr1= 0,  igr2= 1975, 1976,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 2HG 3HG    115 HID HA 4.33 
 &rst iat= 1922, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 1975, 1976,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 2HG 3HG    117 ASP H 4.73 
 &rst iat= 1956, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1975, 1976,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 LYS 2HG 3HG    118 LYS HA 3.60 
 &rst iat= 1970, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 1975, 1976,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 GLY 3HA 2HA    119 SER H 4.73 
 &rst iat= 1990, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 2004, 2003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 3HB 2HB    122 LYS H 3.09 
 &rst iat= 2027, -1, r1= 2.97, r2= 3.47, r3= 3.47, r4= 3.97,
 igr1= 0,  igr2= 2032, 2031,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 3HB 2HB    122 LYS 2HD 3HD  3.12  
 &rst iat= -1, -1, r1= 3.00, r2= 3.50, r3= 7.90, r4= 8.40,
 igr1= 2032, 2031,   igr2= 2037, 2038,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 LYS 3HB 2HB    123 ASP H 3.89 
 &rst iat= -1, 2049, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 2032, 2031,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 SER 2HB 3HB    126 VAL H 6.27 
 &rst iat= -1, 2083, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 2065, 2066,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  125 SER 2HB 3HB    129 LEU CG 3.71 
 &rst iat= -1, 2135, r1= 3.66, r2= 4.16, r3= 8.56, r4= 9.06,
 igr1= 2076, 2077,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 VAL HA  129 LEU CG 3.93 
 &rst iat=  2085, 2135, r1= 3.43, r2= 3.93,
 r3= 8.33, r4= 8.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 GLU 2HB 3HB    127 GLU H 2.85 
 &rst iat= 2099, -1, r1= 2.70, r2= 3.20, r3= 3.20, r4= 3.70,
 igr1= 0,  igr2= 2103, 2104,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HB 3HB    128 GLU H 4.78 
 &rst iat= 2114, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 0,  igr2= 2133, 2134,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HB 3HB    129 LEU H 2.98 
 &rst iat= 2129, -1, r1= 2.84, r2= 3.34, r3= 3.34, r4= 3.84,
 igr1= 0,  igr2= 2133, 2134,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU HA  129 LEU CG 2.93 
 &rst iat=  2131, 2135, r1= 2.43, r2= 2.93,
 r3= 7.33, r4= 7.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU 2HB 3HB    129 LEU CG 2.77 
 &rst iat= -1, 2135, r1= 2.61, r2= 3.11, r3= 7.51, r4= 8.01,
 igr1= 2133, 2134,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HB 3HB    130 LYS H 3.52 
 &rst iat= -1, 2148, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 2133, 2134,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU 2HB 3HB    133 TYR H 6.27 
 &rst iat= -1, 2216, r1= 6.54, r2= 7.04, r3= 7.04, r4= 7.54,
 igr1= 2133, 2134,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU CG  130 LYS H 5.39 
 &rst iat=  2135, 2148, r1= 4.89, r2= 5.39,
 r3= 9.79, r4= 10.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU CG  131 LYS H 5.50 
 &rst iat=  2135, 2170, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU CG  132 ARG H 4.43 
 &rst iat=  2135, 2192, r1= 3.93, r2= 4.43,
 r3= 8.83, r4= 9.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG 2HB 3HB    129 LEU CG 3.74 
 &rst iat= 2135, -1, r1= 3.70, r2= 4.20, r3= 8.60, r4= 9.10,
 igr1= 0,  igr2= 2196, 2197,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HG 2HG    129 LEU CG 4.86 
 &rst iat= 2135, -1, r1= 4.96, r2= 5.46, r3= 9.86, r4= 10.36,
 igr1= 0,  igr2= 2200, 2199,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HD 2HD    129 LEU CG 4.01 
 &rst iat= 2135, -1, r1= 4.00, r2= 4.50, r3= 8.90, r4= 9.40,
 igr1= 0,  igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU CG  132 ARG HE 3.97 
 &rst iat=  2135, 2205, r1= 3.47, r2= 3.97,
 r3= 8.37, r4= 8.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LEU CG  133 TYR H 4.89 
 &rst iat=  2135, 2216, r1= 4.39, r2= 4.89,
 r3= 9.29, r4= 9.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 TYR HD2 HD1    129 LEU CG 3.56 
 &rst iat= 2135, -1, r1= 3.50, r2= 4.00, r3= 8.40, r4= 8.90,
 igr1= 0,  igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 TYR HE1 HE2    129 LEU CG 3.51 
 &rst iat= 2135, -1, r1= 3.44, r2= 3.94, r3= 8.34, r4= 8.84,
 igr1= 0,  igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LEU CG  133 TYR HH 4.64 
 &rst iat=  2135, 2229, r1= 4.14, r2= 4.64,
 r3= 9.04, r4= 9.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 ARG 3HG 2HG    130 LYS H 5.54 
 &rst iat= 2148, -1, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 0,  igr2= 2200, 2199,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  135 GLY 2HA 3HA    130 LYS HG2 4.87 
 &rst iat= 2155, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 2246, 2247,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 2HB 3HB    131 LYS H 5.73 
 &rst iat= 2170, -1, r1= 5.93, r2= 6.43, r3= 6.43, r4= 6.93,
 igr1= 0,  igr2= 2196, 2197,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HG 2HG    131 LYS H 4.33 
 &rst iat= 2170, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 2200, 2199,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  135 GLY 2HA 3HA    131 LYS HG2 5.72 
 &rst iat= 2177, -1, r1= 5.92, r2= 6.42, r3= 6.42, r4= 6.92,
 igr1= 0,  igr2= 2246, 2247,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 2HB 3HB    132 ARG H 3.04 
 &rst iat= 2192, -1, r1= 2.91, r2= 3.41, r3= 3.41, r4= 3.91,
 igr1= 0,  igr2= 2196, 2197,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HG 2HG    132 ARG H 3.02 
 &rst iat= 2192, -1, r1= 2.89, r2= 3.39, r3= 3.39, r4= 3.89,
 igr1= 0,  igr2= 2200, 2199,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  135 GLY 2HA 3HA    132 ARG H 5.33 
 &rst iat= 2192, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 2246, 2247,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HG 2HG    132 ARG HA 3.69 
 &rst iat= 2194, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 0,  igr2= 2200, 2199,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 2HB 3HB    132 ARG 3HD 2HD  3.51  
 &rst iat= -1, -1, r1= 3.44, r2= 3.94, r3= 8.34, r4= 8.84,
 igr1= 2196, 2197,   igr2= 2203, 2202,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 2HB 3HB    132 ARG HE 4.07 
 &rst iat= -1, 2205, r1= 4.07, r2= 4.57, r3= 4.57, r4= 5.07,
 igr1= 2196, 2197,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 2HB 3HB    133 TYR HD2 HD1  4.35  
 &rst iat= -1, -1, r1= 4.38, r2= 4.88, r3= 9.28, r4= 9.78,
 igr1= 2196, 2197,   igr2= 2233, 2224,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 2HB 3HB    133 TYR HE1 HE2  4.84  
 &rst iat= -1, -1, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 2196, 2197,   igr2= 2226, 2231,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 2HB 3HB    134 GLY H 5.68 
 &rst iat= -1, 2237, r1= 5.88, r2= 6.38, r3= 6.38, r4= 6.88,
 igr1= 2196, 2197,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 ARG 3HG 2HG    133 TYR H 4.26 
 &rst iat= -1, 2216, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 2200, 2199,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  134 GLY 3HA 2HA    133 TYR H 4.59 
 &rst iat= 2216, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 2240, 2239,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  134 GLY 3HA 2HA    134 GLY H 2.55 
 &rst iat= 2237, -1, r1= 2.36, r2= 2.86, r3= 2.86, r4= 3.36,
 igr1= 0,  igr2= 2240, 2239,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  134 GLY 3HA 2HA    135 GLY H 2.80 
 &rst iat= -1, 2244, r1= 2.64, r2= 3.14, r3= 3.14, r4= 3.64,
 igr1= 2240, 2239,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  135 GLY 2HA 3HA    135 GLY H 2.56 
 &rst iat= 2244, -1, r1= 2.37, r2= 2.87, r3= 2.87, r4= 3.37,
 igr1= 0,  igr2= 2246, 2247,   rk2= 0.00, rk3= 50.000, ir6=1, &end

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