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
	621661	5m8i	34057	cing	1-original	1	AMBER	distance	NOE	simple

# Restraints file 1: RST
#
# 49	PHE	HB3	86	ALA	QB	4.98	
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,

      rk2=20, rk3=20, ir6=1, ialtd=0,
 igr2=1299,1300,1301,
 &end
#
# 86	ALA	QB	90	MET	H	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1299,1300,1301,
 &end
#
# 86	ALA	QB	87	ILE	HA	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1299,1300,1301,
 &end
#
# 86	ALA	QB	87	ILE	H	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1299,1300,1301,
 &end
#
# 86	ALA	H	86	ALA	QB	2.71	
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2=1299,1300,1301,
 &end
#
# 83	ALA	HA	86	ALA	QB	3.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1299,1300,1301,
 &end
#
# 52	PHE	HB3	86	ALA	QB	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1299,1300,1301,
 &end
#
# 52	PHE	HB2	86	ALA	QB	3.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1299,1300,1301,
 &end
#
# 86	ALA	QB	87	ILE	HG13	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1299,1300,1301,
 &end
#
# 49	PHE	HA	86	ALA	QB	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1299,1300,1301,
 &end
#
# 77	TYR	QD	86	ALA	QB	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1178,1187,
 igr2=1299,1300,1301,
 &end
#
# 95	ILE	HA	96	GLY	HA2	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1447, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 96	GLY	HA3	98	LYS	H	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1469, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 95	ILE	HA	96	GLY	HA3	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1448, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 45	ILE	QG2	46	LEU	H	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1= 663, 664, 665,
 &end
#
# 45	ILE	H	45	ILE	QG2	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 663, 664, 665,
 &end
#
# 44	ASP	H	45	ILE	QG2	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 663, 664, 665,
 &end
#
# 45	ILE	QG2	58	ALA	HA	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 663, 664, 665,
 &end
#
# 45	ILE	QG2	59	LYS	HA	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 663, 664, 665,
 &end
#
# 45	ILE	HA	45	ILE	QG2	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 663, 664, 665,
 &end
#
# 42	ASP	HA	45	ILE	QG2	2.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 663, 664, 665,
 &end
#
# 45	ILE	QG2	46	LEU	HA	3.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 663, 664, 665,
 &end
#
# 45	ILE	QG2	45	ILE	HG13	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 663, 664, 665,
 &end
#
# 45	ILE	QG2	58	ALA	QB	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 663, 664, 665,
 igr2= 871, 872, 873,
 &end
#
# 45	ILE	QG2	45	ILE	QD1	2.58	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 663, 664, 665,
 igr2= 670, 671, 672,
 &end
#
# 81	VAL	H	83	ALA	QB	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1262,1263,1264,
 &end
#
# 83	ALA	QB	87	ILE	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1262,1263,1264,
 &end
#
# 83	ALA	QB	84	GLN	H	3.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=1262,1263,1264,
 &end
#
# 77	TYR	QE	83	ALA	QB	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1180,1185,
 igr2=1262,1263,1264,
 &end
#
# 83	ALA	H	83	ALA	QB	2.84	
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1262,1263,1264,
 &end
#
# 29	ALA	HA	83	ALA	QB	2.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2=1262,1263,1264,
 &end
#
# 80	PRO	HA	83	ALA	QB	3.17	
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1262,1263,1264,
 &end
#
# 77	TYR	HB3	83	ALA	QB	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1262,1263,1264,
 &end
#
# 80	PRO	HB2	83	ALA	QB	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1262,1263,1264,
 &end
#
# 83	ALA	QB	84	GLN	QB	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1262,1263,1264,
 igr2=1272,1273,
 &end
#
# 83	ALA	QB	87	ILE	HG13	3.86	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1262,1263,1264,
 &end
#
# 29	ALA	QB	83	ALA	QB	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 407, 408, 409,
 igr2=1262,1263,1264,
 &end
#
# 77	TYR	HB2	83	ALA	QB	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1262,1263,1264,
 &end
#
# 75	VAL	QG1	83	ALA	QB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1149,1150,1151,
 igr2=1262,1263,1264,
 &end
#
# 85	ALA	H	85	ALA	QB	2.54	
 &rst
  ixpk= 0, nxpk= 0, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
 igr2=1289,1290,1291,
 &end
#
# 85	ALA	QB	86	ALA	H	2.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr1=1289,1290,1291,
 &end
#
# 52	PHE	HB3	85	ALA	QB	3.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1289,1290,1291,
 &end
#
# 85	ALA	QB	86	ALA	HA	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1289,1290,1291,
 &end
#
# 85	ALA	QB	86	ALA	QB	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1289,1290,1291,
 igr2=1299,1300,1301,
 &end
#
# 72	PHE	QD	73	GLY	HA3	5.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1104,1112,
 &end
#
# 61	PHE	H	73	GLY	HA3	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 915,1119, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 92	GLY	HA3	99	ARG	HG2	5.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1498, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 28	GLY	HA3	30	ASN	H	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 45	ILE	QD1	73	GLY	HA2	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 670, 671, 672,
 &end
#
# 73	GLY	HA3	74	PHE	HA	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 45	ILE	QG2	73	GLY	HA3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 664, 665,
 &end
#
# 33	ILE	QD1	73	GLY	HA3	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 479, 480, 481,
 &end
#
# 73	GLY	HA3	75	VAL	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
# 31	LEU	HB3	32	PHE	HA	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 31	LEU	HB3	104	LEU	HA	5.47	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1591, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 31	LEU	HB3	75	VAL	H	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1143, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 31	LEU	HB3	103	GLN	H	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,1572, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 60	VAL	H	73	GLY	HA2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 899,1118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61	PHE	QD	73	GLY	HA3	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 923, 931,
 &end
#
# 61	PHE	QE	73	GLY	HA3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
# 92	GLY	HA2	99	ARG	HB2	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1495, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 92	GLY	HA2	99	ARG	HB3	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1496, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 92	GLY	HA2	99	ARG	HG2	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1498, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 31	LEU	HB2	32	PHE	H	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 31	LEU	HB2	33	ILE	QD1	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 479, 480, 481,
 &end
#
# 31	LEU	HB2	75	VAL	QG1	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1149,1150,1151,
 &end
#
# 31	LEU	HB3	102	VAL	QG1	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1562,1563,1564,
 &end
#
# 31	LEU	HB3	31	LEU	QD2	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 440, 441, 442,
 &end
#
# 31	LEU	HB3	33	ILE	QD1	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 479, 480, 481,
 &end
#
# 87	ILE	QG2	102	VAL	H	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1311,1312,1313,
 &end
#
# 56	ILE	H	56	ILE	QG2	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 843, 844, 845,
 &end
#
# 54	ASN	HD22	56	ILE	QG2	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 843, 844, 845,
 &end
#
# 28	GLY	HA3	104	LEU	QQD	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 28	GLY	HA3	80	PRO	HB3	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 399,1225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 28	GLY	HA2	104	LEU	HG	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 398,1596, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 87	ILE	QG2	91	ASN	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	H	87	ILE	QG2	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1311,1312,1313,
 &end
#
# 87	ILE	QG2	91	ASN	HD21	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	QG2	89	ALA	H	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	QG2	91	ASN	HA	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1370, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	HA	87	ILE	QG2	2.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1311,1312,1313,
 &end
#
# 87	ILE	QG2	91	ASN	HB3	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	QG2	91	ASN	HB2	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1372, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	QG2	88	GLN	QG	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1311,1312,1313,
 igr2=1331,1332,
 &end
#
# 87	ILE	QG2	87	ILE	HG12	2.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1315, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	QG2	103	GLN	H	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1311,1312,1313,
 &end
#
# 56	ILE	QG2	57	SER	HA	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 843, 844, 845,
 &end
#
# 56	ILE	HA	56	ILE	QG2	2.89	
 &rst
  ixpk= 0, nxpk= 0, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 843, 844, 845,
 &end
#
# 56	ILE	QG2	57	SER	HB2	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 843, 844, 845,
 &end
#
# 56	ILE	QG2	56	ILE	HG13	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 843, 844, 845,
 &end
#
# 17	ARG	QD	18	GLY	QA	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 240, 241,
 igr2= 256, 257,
 &end
#
# 13	GLY	QA	14	LEU	HB3	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 176, 177,
 &end
#
# 53	GLY	HA2	77	TYR	QE	5.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1180,1185,
 &end
#
# 95	ILE	QG2	100	LEU	H	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1432,1433,1434,
 &end
#
# 95	ILE	H	95	ILE	QG2	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1432,1433,1434,
 &end
#
# 95	ILE	QG2	98	LYS	H	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1432,1433,1434,
 &end
#
# 93	PHE	QD	95	ILE	QG2	4.26	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1397,1405,
 igr2=1432,1433,1434,
 &end
#
# 94	GLN	HA	95	ILE	QG2	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1432,1433,1434,
 &end
#
# 37	PRO	HD3	95	ILE	QG2	3.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1432,1433,1434,
 &end
#
# 37	PRO	HD2	95	ILE	QG2	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1432,1433,1434,
 &end
#
# 95	ILE	QG2	100	LEU	HG	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1432,1433,1434,
 &end
#
# 95	ILE	QG2	98	LYS	QB	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1432,1433,1434,
 igr2=1473,1474,
 &end
#
# 95	ILE	QG2	95	ILE	HG12	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1=1432,1433,1434,
 &end
#
# 37	PRO	QG	95	ILE	QG2	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 547, 548,
 igr2=1432,1433,1434,
 &end
#
# 95	ILE	QG2	95	ILE	HG13	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1432,1433,1434,
 &end
#
# 62	ILE	QG2	63	ASP	HB2	4.84	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 941, 942, 943,
 &end
#
# 52	PHE	HB3	53	GLY	HA3	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 803, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 53	GLY	HA3	82	SER	HB2	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 803,1251, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 53	GLY	HA3	82	SER	HB3	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 803,1252, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 53	GLY	HA2	77	TYR	QD	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1178,1187,
 &end
#
# 52	PHE	H	53	GLY	HA2	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 802, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 53	GLY	HA2	54	ASN	QB	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 811, 812,
 &end
#
# 21	MET	HA	21	MET	QE	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 300, 301, 302,
 &end
#
# 62	ILE	QG2	63	ASP	H	3.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 941, 942, 943,
 &end
#
# 62	ILE	QG2	67	ASN	H	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 941, 942, 943,
 &end
#
# 62	ILE	H	62	ILE	QG2	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 941, 942, 943,
 &end
#
# 62	ILE	HA	62	ILE	QG2	3.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 941, 942, 943,
 &end
#
# 62	ILE	QG2	67	ASN	HA	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 941, 942, 943,
 &end
#
# 62	ILE	QG2	70	LYS	QG	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 941, 942, 943,
 igr2=1070,1071,
 &end
#
# 62	ILE	QG2	62	ILE	HG13	2.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1= 941, 942, 943,
 &end
#
# 53	GLY	HA3	82	SER	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 803,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20	HIS	H	21	MET	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 300, 301, 302,
 &end
#
# 21	MET	QE	22	GLN	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 300, 301, 302,
 &end
#
# 62	ILE	QG2	70	LYS	H	4.61	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 941, 942, 943,
 &end
#
# 62	ILE	QG2	70	LYS	QE	5.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 941, 942, 943,
 igr2=1076,1077,
 &end
#
# 97	MET	HA	97	MET	QE	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1463,1464,1465,
 &end
#
# 50	MET	HB2	50	MET	QE	2.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 760, 761, 762,
 &end
#
# 50	MET	H	50	MET	QE	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 760, 761, 762,
 &end
#
# 50	MET	HA	50	MET	QE	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 760, 761, 762,
 &end
#
# 50	MET	QG	50	MET	QE	2.79	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 756, 757,
 igr2= 760, 761, 762,
 &end
#
# 32	PHE	QD	33	ILE	QD1	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 454, 462,
 igr2= 479, 480, 481,
 &end
#
# 24	GLU	HA	25	GLY	HA2	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 362, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 25	GLY	HA2	26	PRO	HD2	3.64	
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 368, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 25	GLY	HA2	26	PRO	HG3	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 25	GLY	HA2	29	ALA	QB	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 407, 408, 409,
 &end
#
# 33	ILE	QD1	74	PHE	HA	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 479, 480, 481,
 &end
#
# 33	ILE	HA	33	ILE	QD1	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 479, 480, 481,
 &end
#
# 33	ILE	QD1	49	PHE	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 479, 480, 481,
 &end
#
# 33	ILE	HB	33	ILE	QD1	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 479, 480, 481,
 &end
#
# 33	ILE	QD1	75	VAL	HB	3.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 479, 480, 481,
 &end
#
# 33	ILE	QD1	45	ILE	QD1	2.84	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 479, 480, 481,
 igr2= 670, 671, 672,
 &end
#
# 33	ILE	H	33	ILE	QD1	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 479, 480, 481,
 &end
#
# 25	GLY	HA3	56	ILE	QG2	5.22	
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 843, 844, 845,
 &end
#
# 25	GLY	HA3	26	PRO	HD2	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 25	GLY	HA3	77	TYR	H	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 363,1170, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 90	MET	QE	91	ASN	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1362,1363,1364,
 &end
#
# 40	PHE	QE	90	MET	QE	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 599, 603,
 igr2=1362,1363,1364,
 &end
#
# 49	PHE	QE	90	MET	QE	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 739, 743,
 igr2=1362,1363,1364,
 &end
#
# 90	MET	HA	90	MET	QE	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1362,1363,1364,
 &end
#
# 90	MET	QE	93	PHE	HB3	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1394, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1362,1363,1364,
 &end
#
# 106	ARG	H	106	ARG	QD	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=1640,1641,
 &end
#
# 90	MET	QE	93	PHE	HB2	3.26	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1362,1363,1364,
 &end
#
# 40	PHE	HB2	41	GLY	HA2	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 611, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 41	GLY	HA2	44	ASP	H	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 645, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 41	GLY	HA2	42	ASP	HA	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 618, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 41	GLY	HA3	42	ASP	HA	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 618, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 41	GLY	HA3	60	VAL	HB	5.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 903, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 41	GLY	HA2	60	VAL	QG2	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 909, 910, 911,
 &end
#
# 41	GLY	HA2	60	VAL	QG1	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 905, 906, 907,
 &end
#
# 40	PHE	HB3	41	GLY	HA2	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 611, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 41	GLY	HA2	44	ASP	HB2	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 649, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 17	ARG	QD	18	GLY	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 240, 241,
 &end
#
# 17	ARG	QD	19	SER	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 240, 241,
 &end
#
# 15	VAL	QQG	17	ARG	QD	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 206, 207, 208, 210, 211, 212,
 igr2= 240, 241,
 &end
#
# 106	ARG	HA	106	ARG	QD	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1640,1641,
 &end
#
# 41	GLY	HA3	45	ILE	QG2	5.33	
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 663, 664, 665,
 &end
#
# 41	GLY	HA2	60	VAL	HB	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 903, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 31	LEU	HA	32	PHE	QB	4.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 450, 451,
 &end
#
# 32	PHE	QB	105	LYS	HA	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 450, 451,
 &end
#
# 93	PHE	HB3	100	LEU	HB2	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1519, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 32	PHE	QB	33	ILE	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 450, 451,
 igr2= 472, 473, 474,
 &end
#
# 32	PHE	QB	33	ILE	HG13	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 450, 451,
 &end
#
# 32	PHE	QB	104	LEU	QQD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 450, 451,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 32	PHE	QB	74	PHE	HA	5.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 450, 451,
 &end
#
# 32	PHE	QB	104	LEU	H	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 450, 451,
 &end
#
# 29	ALA	QB	77	TYR	HB2	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 407, 408, 409,
 &end
#
# 77	TYR	HB2	78	ASP	H	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1191, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 95	ILE	QD1	100	LEU	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1439,1440,1441,
 &end
#
# 95	ILE	H	95	ILE	QD1	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1439,1440,1441,
 &end
#
# 40	PHE	QE	95	ILE	QD1	3.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 599, 603,
 igr2=1439,1440,1441,
 &end
#
# 93	PHE	QD	95	ILE	QD1	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1397,1405,
 igr2=1439,1440,1441,
 &end
#
# 95	ILE	HA	95	ILE	QD1	3.88	
 &rst
  ixpk= 0, nxpk= 0, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1439,1440,1441,
 &end
#
# 95	ILE	HB	95	ILE	QD1	2.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2=1439,1440,1441,
 &end
#
# 37	PRO	QB	95	ILE	QD1	3.68	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 550, 551,
 igr2=1439,1440,1441,
 &end
#
# 95	ILE	QD1	96	GLY	H	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1439,1440,1441,
 &end
#
# 66	THR	HB	67	ASN	H	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1019, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 66	THR	HB	68	LEU	HG	3.57	
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1040, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 66	THR	HB	68	LEU	H	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1033, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 36	LEU	HA	95	ILE	QD1	4.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1439,1440,1441,
 &end
#
# 37	PRO	HD3	95	ILE	QD1	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1439,1440,1441,
 &end
#
# 37	PRO	HD2	95	ILE	QD1	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1439,1440,1441,
 &end
#
# 39	GLU	QG	95	ILE	QD1	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 581, 582,
 igr2=1439,1440,1441,
 &end
#
# 62	ILE	QG2	63	ASP	HB3	4.84	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 941, 942, 943,
 &end
#
# 104	LEU	HB2	105	LYS	H	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1593,1608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 62	ILE	HA	63	ASP	HB3	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 959, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 34	TYR	HA	72	PHE	HB3	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1101, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 62	ILE	HA	63	ASP	HB2	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 958, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 104	LEU	HB3	105	LYS	H	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104	LEU	H	104	LEU	HB3	3.55	
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 72	PHE	HB2	73	GLY	H	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1116, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 104	LEU	HB3	104	LEU	QQD	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 13	GLY	QA	14	LEU	HB2	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 176, 177,
 &end
#
# 108	LYS	QG	108	LYS	QE	2.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1672,1673,
 igr2=1678,1679,
 &end
#
# 31	LEU	HA	87	ILE	QD1	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1318,1319,1320,
 &end
#
# 70	LYS	QE	72	PHE	QE	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1076,1077,
 igr2=1106,1110,
 &end
#
# 63	ASP	HA	70	LYS	QE	3.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1076,1077,
 &end
#
# 70	LYS	QG	70	LYS	QE	3.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1070,1071,
 igr2=1076,1077,
 &end
#
# 64	LYS	QB	64	LYS	QE	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 970, 971,
 igr2= 979, 980,
 &end
#
# 64	LYS	QG	64	LYS	QE	3.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 973, 974,
 igr2= 979, 980,
 &end
#
# 62	ILE	QG2	64	LYS	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 941, 942, 943,
 igr2= 979, 980,
 &end
#
# 107	SER	HA	108	LYS	QE	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1678,1679,
 &end
#
# 108	LYS	HB3	108	LYS	QE	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1678,1679,
 &end
#
# 105	LYS	HA	105	LYS	QE	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1621,1622,
 &end
#
# 105	LYS	QG	105	LYS	QE	2.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1615,1616,
 igr2=1621,1622,
 &end
#
# 87	ILE	QD1	104	LEU	H	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1318,1319,1320,
 &end
#
# 87	ILE	H	87	ILE	QD1	3.97	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1318,1319,1320,
 &end
#
# 84	GLN	H	87	ILE	QD1	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1318,1319,1320,
 &end
#
# 87	ILE	QD1	103	GLN	HA	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1318,1319,1320,
 &end
#
# 87	ILE	QD1	104	LEU	HA	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1318,1319,1320,
 &end
#
# 84	GLN	HA	87	ILE	QD1	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1318,1319,1320,
 &end
#
# 87	ILE	HA	87	ILE	QD1	3.95	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1318,1319,1320,
 &end
#
# 84	GLN	QG	87	ILE	QD1	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1275,1276,
 igr2=1318,1319,1320,
 &end
#
# 87	ILE	QD1	103	GLN	HG3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1318,1319,1320,
 &end
#
# 87	ILE	QG2	87	ILE	QD1	2.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1311,1312,1313,
 igr2=1318,1319,1320,
 &end
#
# 45	ILE	QD1	74	PHE	H	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 670, 671, 672,
 &end
#
# 45	ILE	QD1	46	LEU	H	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 670, 671, 672,
 &end
#
# 45	ILE	QD1	49	PHE	QD	5.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1= 670, 671, 672,
 igr2= 737, 745,
 &end
#
# 45	ILE	H	45	ILE	QD1	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 670, 671, 672,
 &end
#
# 33	ILE	HA	45	ILE	QD1	5.29	
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 670, 671, 672,
 &end
#
# 45	ILE	QD1	58	ALA	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 670, 671, 672,
 &end
#
# 45	ILE	QD1	59	LYS	HA	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 670, 671, 672,
 &end
#
# 45	ILE	HA	45	ILE	QD1	3.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 670, 671, 672,
 &end
#
# 45	ILE	QD1	60	VAL	HA	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 670, 671, 672,
 &end
#
# 45	ILE	QD1	73	GLY	HA3	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 670, 671, 672,
 &end
#
# 45	ILE	HB	45	ILE	QD1	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 670, 671, 672,
 &end
#
# 40	PHE	QE	45	ILE	QD1	5.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 599, 603,
 igr2= 670, 671, 672,
 &end
#
# 40	PHE	QD	45	ILE	QD1	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 597, 605,
 igr2= 670, 671, 672,
 &end
#
# 63	ASP	H	70	LYS	QE	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1076,1077,
 &end
#
# 32	PHE	QE	105	LYS	QE	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 456, 460,
 igr2=1621,1622,
 &end
#
# 46	LEU	HB3	50	MET	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 760, 761, 762,
 &end
#
# 29	ALA	QB	79	ASN	HB3	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 407, 408, 409,
 &end
#
# 79	ASN	HB2	80	PRO	HD3	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1219, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 46	LEU	HB2	50	MET	QE	5.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 760, 761, 762,
 &end
#
# 79	ASN	H	79	ASN	HB3	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 79	ASN	HB3	80	PRO	HD2	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1218, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 79	ASN	HB3	82	SER	H	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1247, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 79	ASN	H	79	ASN	HB2	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 79	ASN	HB3	80	PRO	HD3	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1219, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 33	ILE	HB	73	GLY	HA3	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 470,1119, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 93	PHE	HB3	100	LEU	HG	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1522, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 24	GLU	HB2	56	ILE	QD1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 850, 851, 852,
 &end
#
# 91	ASN	HA	93	PHE	HB2	5.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1393, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 93	PHE	HB2	100	LEU	HG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33	ILE	HB	45	ILE	QD1	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 670, 671, 672,
 &end
#
# 33	ILE	HB	73	GLY	H	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 470,1116, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 33	ILE	H	33	ILE	HB	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 25	GLY	H	56	ILE	QD1	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 850, 851, 852,
 &end
#
# 56	ILE	H	56	ILE	QD1	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 850, 851, 852,
 &end
#
# 56	ILE	QD1	57	SER	H	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 850, 851, 852,
 &end
#
# 56	ILE	QD1	78	ASP	HA	3.09	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1= 850, 851, 852,
 &end
#
# 25	GLY	HA2	56	ILE	QD1	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 850, 851, 852,
 &end
#
# 25	GLY	HA3	56	ILE	QD1	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 850, 851, 852,
 &end
#
# 56	ILE	QD1	78	ASP	HB3	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 850, 851, 852,
 &end
#
# 56	ILE	QD1	78	ASP	HB2	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 850, 851, 852,
 &end
#
# 56	ILE	HB	56	ILE	QD1	3.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 850, 851, 852,
 &end
#
# 93	PHE	HB3	100	LEU	QD1	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1524,1525,1526,
 &end
#
# 93	PHE	HB3	100	LEU	HB3	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 56	ILE	QD1	77	TYR	HA	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 850, 851, 852,
 &end
#
# 56	ILE	HG12	78	ASP	HB3	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 847,1196, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 56	ILE	HG12	78	ASP	HB2	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 847,1195, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 40	PHE	QD	44	ASP	HB2	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 597, 605,
 &end
#
# 40	PHE	QE	44	ASP	HB3	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 599, 603,
 &end
#
# 42	ASP	HB3	43	GLN	H	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 42	ASP	HB3	45	ILE	QG2	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 663, 664, 665,
 &end
#
# 42	ASP	HB2	45	ILE	QG2	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 663, 664, 665,
 &end
#
# 44	ASP	H	44	ASP	HB2	3.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 40	PHE	HB3	44	ASP	HB3	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 650, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 40	PHE	QD	44	ASP	HB3	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 597, 605,
 &end
#
# 62	ILE	HB	63	ASP	H	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 954, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 37	PRO	HD3	95	ILE	HB	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 545,1430, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 95	ILE	HB	96	GLY	H	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1445, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 93	PHE	QE	95	ILE	HB	4.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1399,1403,
 &end
#
# 62	ILE	QD1	70	LYS	H	4.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 948, 949, 950,
 &end
#
# 62	ILE	QD1	70	LYS	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 948, 949, 950,
 igr2=1076,1077,
 &end
#
# 62	ILE	QD1	63	ASP	H	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 948, 949, 950,
 &end
#
# 62	ILE	H	62	ILE	QD1	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 948, 949, 950,
 &end
#
# 62	ILE	HA	62	ILE	QD1	3.33	
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 948, 949, 950,
 &end
#
# 62	ILE	QD1	69	SER	HA	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 948, 949, 950,
 &end
#
# 62	ILE	HB	62	ILE	QD1	3.30	
 &rst
  ixpk= 0, nxpk= 0, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 948, 949, 950,
 &end
#
# 60	VAL	H	62	ILE	QD1	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 948, 949, 950,
 &end
#
# 60	VAL	HB	62	ILE	QD1	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 948, 949, 950,
 &end
#
# 37	PRO	HD2	40	PHE	HB2	4.64	
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 593, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 39	GLU	QG	40	PHE	HB2	5.28	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 581, 582,
 &end
#
# 40	PHE	HB3	44	ASP	HB2	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 649, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 37	PRO	QB	40	PHE	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 550, 551,
 &end
#
# 61	PHE	H	61	PHE	HB3	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 920, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 61	PHE	H	61	PHE	HB2	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 109	ASN	HB3	110	ASP	H	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1692,1701, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 87	ILE	HB	90	MET	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1309,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56	ILE	QD1	76	SER	HB3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,
 &end
#
# 24	GLU	HA	76	SER	HB3	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1164, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 56	ILE	QD1	76	SER	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,
 &end
#
# 49	PHE	HB3	50	MET	H	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 749, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 51	PRO	HG2	52	PHE	HB2	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 784, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 87	ILE	HB	88	GLN	QB	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1328,1329,
 &end
#
# 87	ILE	HB	91	ASN	HD21	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1309,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87	ILE	HB	87	ILE	QD1	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1318,1319,1320,
 &end
#
# 84	GLN	HA	87	ILE	HB	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1309, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 49	PHE	HB3	52	PHE	HB3	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 785, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 49	PHE	HA	52	PHE	HB3	5.26	
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 785, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 87	ILE	HA	91	ASN	HB2	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1372, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 87	ILE	HA	87	ILE	HG13	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1316, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 87	ILE	HA	102	VAL	QG1	3.03	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2=1562,1563,1564,
 &end
#
# 31	LEU	QD2	87	ILE	HA	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 440, 441, 442,
 &end
#
# 87	ILE	HA	87	ILE	HG12	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1315, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 87	ILE	HA	88	GLN	HA	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1326, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 87	ILE	HA	91	ASN	HB3	4.69	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1373, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 62	ILE	QG2	67	ASN	HB3	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 941, 942, 943,
 &end
#
# 62	ILE	QG2	67	ASN	HB2	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 941, 942, 943,
 &end
#
# 56	ILE	H	56	ILE	HB	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 841, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 56	ILE	HB	57	SER	HB2	5.48	
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 860, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 45	ILE	HB	46	LEU	H	4.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 676, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 45	ILE	HB	75	VAL	QG2	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1153,1154,1155,
 &end
#
# 51	PRO	HA	53	GLY	HA2	5.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 802, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 54	ASN	QB	55	VAL	H	4.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 811, 812,
 &end
#
# 57	SER	HB2	76	SER	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 860,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56	ILE	HA	57	SER	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23	LYS	H	57	SER	HB2	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 860, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 57	SER	H	57	SER	HB2	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 860, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 57	SER	HB2	58	ALA	H	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 867, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 57	SER	HB2	74	PHE	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1133,1137,
 &end
#
# 22	GLN	HA	57	SER	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23	LYS	HA	57	SER	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57	SER	HB3	76	SER	H	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat= 861,1159, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 57	SER	HB3	58	ALA	H	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 867, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 57	SER	HB3	74	PHE	QE	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1133,1137,
 &end
#
# 56	ILE	QG2	57	SER	HB3	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 843, 844, 845,
 &end
#
# 57	SER	H	57	SER	HB3	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 861, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 57	SER	HB3	58	ALA	QB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 871, 872, 873,
 &end
#
# 57	SER	HB2	58	ALA	QB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 871, 872, 873,
 &end
#
# 59	LYS	QB	74	PHE	QD	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 881, 882,
 igr2=1131,1139,
 &end
#
# 58	ALA	HA	59	LYS	QB	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 881, 882,
 &end
#
# 79	ASN	HB2	80	PRO	HA	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1227, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 80	PRO	HA	84	GLN	H	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1268, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 28	GLY	HA3	80	PRO	HA	5.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 399,1227, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 75	VAL	HB	76	SER	H	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1147,1159, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 58	ALA	HA	75	VAL	HB	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 869,1147, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 29	ALA	HA	80	PRO	HA	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,1227, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 29	ALA	QB	80	PRO	HA	3.53	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 407, 408, 409,
 &end
#
# 45	ILE	HA	48	MET	HB3	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 717, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 24	GLU	HA	24	GLU	HG2	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 24	GLU	HG2	25	GLY	H	5.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 360, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 23	LYS	HA	24	GLU	HG2	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 352, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 24	GLU	HG3	25	GLY	H	5.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 24	GLU	H	24	GLU	HG3	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 353, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 24	GLU	HA	24	GLU	HG3	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 353, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 23	LYS	HA	24	GLU	HG3	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 31	LEU	H	75	VAL	HB	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,1147, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 31	LEU	HB2	75	VAL	HB	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat= 431,1147, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 33	ILE	HG13	75	VAL	HB	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 477,1147, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 45	ILE	QG2	75	VAL	HB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 664, 665,
 &end
#
# 45	ILE	QD1	75	VAL	HB	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 670, 671, 672,
 &end
#
# 80	PRO	HA	83	ALA	HA	5.27	
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1260, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 45	ILE	HA	75	VAL	QG2	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1153,1154,1155,
 &end
#
# 39	GLU	HA	39	GLU	QG	3.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 581, 582,
 &end
#
# 39	GLU	QB	39	GLU	QG	2.54	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr1= 578, 579,
 igr2= 581, 582,
 &end
#
# 62	ILE	QD1	69	SER	HB3	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 948, 949, 950,
 &end
#
# 62	ILE	QD1	69	SER	HB2	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 948, 949, 950,
 &end
#
# 111	SER	QB	112	LYS	QB	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1717,1718,
 igr2=1728,1729,
 &end
#
# 15	VAL	QQG	16	PRO	HA	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 206, 207, 208, 210, 211, 212,
 &end
#
# 77	TYR	HB2	82	SER	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37	PRO	HA	40	PHE	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 597, 605,
 &end
#
# 77	TYR	HB2	82	SER	HB3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82	SER	HB2	83	ALA	H	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1251,1258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 82	SER	H	82	SER	HB2	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1251, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 48	MET	HB2	49	PHE	QD	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 737, 745,
 &end
#
# 35	HIP	HA	98	LYS	QB	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1473,1474,
 &end
#
# 35	HIP	HB2	98	LYS	QB	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1473,1474,
 &end
#
# 48	MET	HB3	49	PHE	QE	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 739, 743,
 &end
#
# 48	MET	H	48	MET	HB2	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 716, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 45	ILE	HA	48	MET	HB2	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 716, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 48	MET	HB2	49	PHE	H	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 729, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 48	MET	HB2	49	PHE	QE	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 739, 743,
 &end
#
# 91	ASN	HB3	102	VAL	HB	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat=1373,1560, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 102	VAL	HB	103	GLN	H	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1560,1572, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 26	PRO	HA	29	ALA	QB	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 407, 408, 409,
 &end
#
# 55	VAL	HA	56	ILE	HA	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 839, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 56	ILE	HA	56	ILE	HG13	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 848, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 56	ILE	HA	56	ILE	HG12	3.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 847, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 56	ILE	HA	56	ILE	QD1	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 850, 851, 852,
 &end
#
# 65	GLN	HG3	66	THR	QG2	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1011,1012,1013,
 &end
#
# 65	GLN	H	65	GLN	HG3	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 996, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 64	LYS	QG	65	GLN	HG3	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 973, 974,
 &end
#
# 65	GLN	HG2	66	THR	QG2	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1011,1012,1013,
 &end
#
# 91	ASN	HB2	102	VAL	HB	3.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1560, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 87	ILE	HA	102	VAL	HB	4.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1560, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 87	ILE	QG2	102	VAL	HB	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1311,1312,1313,
 &end
#
# 25	GLY	HA3	26	PRO	HA	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 377, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 25	GLY	HA2	26	PRO	HA	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 377, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 55	VAL	HA	56	ILE	HB	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 841, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 55	VAL	HA	56	ILE	HG13	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 848, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 55	VAL	HA	56	ILE	H	3.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 837, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 55	VAL	HA	57	SER	H	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 856, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 54	ASN	HA	55	VAL	HA	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 823, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 64	LYS	QG	65	GLN	HG2	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 973, 974,
 &end
#
# 60	VAL	HA	61	PHE	QD	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 923, 931,
 &end
#
# 60	VAL	HA	73	GLY	HA3	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1119, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 38	GLN	H	38	GLN	HG3	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 47	GLN	HA	47	GLN	QG	3.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 702, 703,
 &end
#
# 88	GLN	HA	88	GLN	QG	3.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1331,1332,
 &end
#
# 47	GLN	QG	50	MET	QG	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 702, 703,
 igr2= 756, 757,
 &end
#
# 47	GLN	QB	47	GLN	QG	2.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
 igr1= 699, 700,
 igr2= 702, 703,
 &end
#
# 47	GLN	QG	50	MET	QE	3.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 702, 703,
 igr2= 760, 761, 762,
 &end
#
# 46	LEU	HB3	47	GLN	QG	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 702, 703,
 &end
#
# 87	ILE	HA	88	GLN	QG	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=1331,1332,
 &end
#
# 87	ILE	QD1	103	GLN	HG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1318,1319,1320,
 &end
#
# 66	THR	HA	68	LEU	HG	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1040, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 88	GLN	H	88	GLN	QG	3.05	
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1331,1332,
 &end
#
# 87	ILE	HB	88	GLN	QG	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1331,1332,
 &end
#
# 88	GLN	QG	89	ALA	QB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1331,1332,
 igr2=1345,1346,1347,
 &end
#
# 87	ILE	QD1	88	GLN	QG	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1318,1319,1320,
 igr2=1331,1332,
 &end
#
# 65	GLN	H	66	THR	HA	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1007, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 66	THR	HA	68	LEU	H	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1033, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 65	GLN	HB2	66	THR	HA	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 66	THR	HA	66	THR	QG2	2.85	
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1011,1012,1013,
 &end
#
# 43	GLN	HA	43	GLN	QG	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 635, 636,
 &end
#
# 43	GLN	H	43	GLN	QG	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 635, 636,
 &end
#
# 43	GLN	QG	44	ASP	H	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 635, 636,
 &end
#
# 94	GLN	QG	99	ARG	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1416,1417,
 &end
#
# 32	PHE	QE	105	LYS	HB2	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 456, 460,
 &end
#
# 66	THR	HA	67	ASN	HB2	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1023, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 82	SER	HA	85	ALA	QB	3.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1289,1290,1291,
 &end
#
# 77	TYR	QE	82	SER	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1180,1185,
 &end
#
# 52	PHE	HB3	82	SER	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 785,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81	VAL	H	84	GLN	QG	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1275,1276,
 &end
#
# 81	VAL	HA	84	GLN	QG	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1275,1276,
 &end
#
# 84	GLN	H	84	GLN	QG	2.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2=1275,1276,
 &end
#
# 84	GLN	QG	84	GLN	HE22	3.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1275,1276,
 &end
#
# 84	GLN	HA	84	GLN	QG	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1275,1276,
 &end
#
# 84	GLN	QB	84	GLN	QG	2.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr1=1272,1273,
 igr2=1275,1276,
 &end
#
# 83	ALA	QB	84	GLN	QG	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1262,1263,1264,
 igr2=1275,1276,
 &end
#
# 32	PHE	QB	103	GLN	QB	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 450, 451,
 igr2=1576,1577,
 &end
#
# 22	GLN	H	22	GLN	HG2	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 94	GLN	QG	98	LYS	H	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1416,1417,
 &end
#
# 94	GLN	QG	95	ILE	H	3.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1416,1417,
 &end
#
# 94	GLN	H	94	GLN	QG	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1416,1417,
 &end
#
# 94	GLN	HA	94	GLN	QG	3.61	
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1416,1417,
 &end
#
# 32	PHE	QE	105	LYS	HB3	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 456, 460,
 &end
#
# 79	ASN	HD22	82	SER	HA	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1249, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 83	ALA	H	84	GLN	QG	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1275,1276,
 &end
#
# 94	GLN	QG	99	ARG	HD2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1416,1417,
 &end
#
# 94	GLN	QG	99	ARG	HD3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1416,1417,
 &end
#
# 60	VAL	HB	61	PHE	H	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 23	LYS	HB3	56	ILE	QG2	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 843, 844, 845,
 &end
#
# 23	LYS	HB2	56	ILE	QG2	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 843, 844, 845,
 &end
#
# 102	VAL	HA	103	GLN	H	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1572, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 102	VAL	HA	102	VAL	QG1	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1562,1563,1564,
 &end
#
# 34	TYR	H	102	VAL	HA	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1558, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 102	VAL	HA	103	GLN	QB	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1576,1577,
 &end
#
# 80	PRO	HB2	81	VAL	H	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 28	GLY	HA3	80	PRO	HB2	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 399,1224, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 108	LYS	HB2	108	LYS	QE	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1669,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1678,1679,
 &end
#
# 29	ALA	H	80	PRO	HB3	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 403,1225, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 26	PRO	HB3	80	PRO	HD3	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 375,1219, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 26	PRO	HB2	80	PRO	HD3	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 374,1219, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 57	SER	H	75	VAL	HA	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 856,1145, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 45	ILE	QD1	75	VAL	HA	5.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 670, 671, 672,
 &end
#
# 97	MET	H	97	MET	HG3	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1460, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 64	LYS	QB	65	GLN	H	3.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 970, 971,
 &end
#
# 64	LYS	QB	64	LYS	QD	2.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1= 970, 971,
 igr2= 976, 977,
 &end
#
# 63	ASP	HA	64	LYS	QB	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 970, 971,
 &end
#
# 37	PRO	QB	39	GLU	QG	3.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 550, 551,
 igr2= 581, 582,
 &end
#
# 55	VAL	HB	75	VAL	QG1	4.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1149,1150,1151,
 &end
#
# 50	MET	QG	55	VAL	HB	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 756, 757,
 &end
#
# 37	PRO	QB	40	PHE	QE	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 550, 551,
 igr2= 599, 603,
 &end
#
# 94	GLN	QG	95	ILE	HA	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1416,1417,
 &end
#
# 95	ILE	HA	95	ILE	HG12	3.59	
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1436, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 95	ILE	HA	95	ILE	HG13	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1437, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 95	ILE	HA	95	ILE	QG2	3.25	
 &rst
  ixpk= 0, nxpk= 0, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1432,1433,1434,
 &end
#
# 46	LEU	HB3	50	MET	QG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 756, 757,
 &end
#
# 50	MET	H	50	MET	QG	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 756, 757,
 &end
#
# 49	PHE	H	50	MET	QG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 756, 757,
 &end
#
# 50	MET	QG	53	GLY	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 756, 757,
 &end
#
# 47	GLN	HA	50	MET	QG	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 756, 757,
 &end
#
# 50	MET	QG	51	PRO	HD2	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 756, 757,
 &end
#
# 50	MET	HB3	50	MET	QG	2.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 756, 757,
 &end
#
# 46	LEU	QD1	50	MET	QG	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 685, 686, 687,
 igr2= 756, 757,
 &end
#
# 47	GLN	HA	50	MET	HB2	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 753, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 46	LEU	QD1	50	MET	HB2	5.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 685, 686, 687,
 &end
#
# 46	LEU	QD2	50	MET	HB2	5.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 689, 690, 691,
 &end
#
# 48	MET	HG3	49	PHE	QD	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 737, 745,
 &end
#
# 50	MET	H	50	MET	HB2	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 753, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 48	MET	H	48	MET	HG2	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 719, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 48	MET	H	50	MET	HB2	5.48	
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 753, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 48	MET	HG2	49	PHE	QD	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 737, 745,
 &end
#
# 47	GLN	HA	50	MET	HB3	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 754, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 50	MET	H	50	MET	HB3	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 754, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 48	MET	H	48	MET	HG3	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 720, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 21	MET	H	21	MET	HG2	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 50	MET	HB3	51	PRO	HD2	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 767, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 99	ARG	HB2	100	LEU	H	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat=1495,1515, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 15	VAL	HA	15	VAL	QQG	2.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 206, 207, 208, 210, 211, 212,
 &end
#
# 24	GLU	HB3	25	GLY	HA3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23	LYS	HA	24	GLU	HB3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24	GLU	HB2	25	GLY	H	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 360, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 99	ARG	HB3	100	LEU	H	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat=1496,1515, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 50	MET	HA	55	VAL	H	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 821, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 50	MET	HA	77	TYR	QE	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1180,1185,
 &end
#
# 14	LEU	HG	15	VAL	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 50	MET	HA	53	GLY	H	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 800, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 50	MET	HA	50	MET	QG	3.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 756, 757,
 &end
#
# 93	PHE	HA	93	PHE	QE	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1399,1403,
 &end
#
# 93	PHE	HA	94	GLN	HB3	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1414, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 81	VAL	HB	83	ALA	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93	PHE	HA	94	GLN	HB2	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1413, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 80	PRO	HD2	81	VAL	HB	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 33	ILE	HA	33	ILE	HG13	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 477, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 33	ILE	HA	103	GLN	H	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 468,1572, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 46	LEU	HA	50	MET	QG	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 756, 757,
 &end
#
# 33	ILE	HA	34	TYR	QD	5.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 493, 502,
 &end
#
# 38	GLN	HA	39	GLU	HA	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 576, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 46	LEU	HA	46	LEU	HG	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 683, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 51	PRO	HB3	52	PHE	H	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 780, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 46	LEU	HG	47	GLN	HA	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 697, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 17	ARG	HB3	17	ARG	QD	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 240, 241,
 &end
#
# 17	ARG	HB2	17	ARG	QD	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 240, 241,
 &end
#
# 61	PHE	HA	62	ILE	HG12	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 945, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 111	SER	HA	112	LYS	QG	5.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1715,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1731,1732,
 &end
#
# 47	GLN	HA	50	MET	QE	2.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 760, 761, 762,
 &end
#
# 87	ILE	QG2	88	GLN	HA	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1311,1312,1313,
 &end
#
# 84	GLN	HA	84	GLN	HE21	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1281, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 84	GLN	HA	87	ILE	HA	5.41	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1307, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 18	GLY	QA	19	SER	HA	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 256, 257,
 &end
#
# 84	GLN	HA	87	ILE	QG2	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1311,1312,1313,
 &end
#
# 84	GLN	HA	87	ILE	HG13	3.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1316, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 43	GLN	HA	46	LEU	HB3	3.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 681, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 43	GLN	HA	46	LEU	HB2	3.74	
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 680, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 114	TRP	HA	114	TRP	HD1	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1762,1768, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 113	PRO	HD2	114	TRP	HA	5.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1747,1762, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 51	PRO	HD2	52	PHE	HA	5.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 782, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 64	LYS	HA	64	LYS	QG	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 973, 974,
 &end
#
# 64	LYS	HA	64	LYS	QB	2.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 970, 971,
 &end
#
# 27	GLU	HA	28	GLY	HA3	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 399, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 27	GLU	HA	28	GLY	H	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
# 27	GLU	HA	28	GLY	HA2	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26	PRO	HA	27	GLU	HA	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 383, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 43	GLN	HA	58	ALA	QB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 871, 872, 873,
 &end
#
# 48	MET	HA	90	MET	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1362,1363,1364,
 &end
#
# 87	ILE	QG2	87	ILE	HG13	3.55	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	HG13	102	VAL	QG1	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1562,1563,1564,
 &end
#
# 31	LEU	QD2	87	ILE	HG13	3.58	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 440, 441, 442,
 &end
#
# 84	GLN	H	87	ILE	HG13	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1268,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87	ILE	HG13	88	GLN	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84	GLN	HA	87	ILE	HG12	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1315, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 51	PRO	HG2	52	PHE	HA	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 782, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 52	PHE	HA	85	ALA	QB	5.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1289,1290,1291,
 &end
#
# 64	LYS	HA	66	THR	H	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 968,1005, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 62	ILE	QG2	64	LYS	HA	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 941, 942, 943,
 &end
#
# 68	LEU	HA	69	SER	HA	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1054, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 52	PHE	HA	86	ALA	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 782,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52	PHE	HA	86	ALA	QB	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1299,1300,1301,
 &end
#
# 42	ASP	HA	45	ILE	H	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 657, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 64	LYS	QG	65	GLN	HA	5.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 973, 974,
 &end
#
# 65	GLN	HA	67	ASN	H	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 990,1019, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 64	LYS	QB	65	GLN	HA	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 970, 971,
 &end
#
# 65	GLN	HA	66	THR	QG2	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1011,1012,1013,
 &end
#
# 42	ASP	HA	44	ASP	H	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 645, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 39	GLU	QG	40	PHE	HA	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 581, 582,
 &end
#
# 105	LYS	HA	105	LYS	QD	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1618,1619,
 &end
#
# 105	LYS	H	105	LYS	QD	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1618,1619,
 &end
#
# 32	PHE	QE	105	LYS	QD	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 456, 460,
 igr2=1618,1619,
 &end
#
# 74	PHE	QE	105	LYS	QD	5.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1=1133,1137,
 igr2=1618,1619,
 &end
#
# 40	PHE	HA	41	GLY	H	3.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 609, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 40	PHE	HA	44	ASP	HB2	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 649, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 40	PHE	HA	44	ASP	HB3	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 650, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 40	PHE	HA	44	ASP	H	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 645, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 40	PHE	HA	41	GLY	HA2	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 611, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 23	LYS	H	57	SER	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57	SER	HA	58	ALA	QB	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 871, 872, 873,
 &end
#
# 39	GLU	HA	40	PHE	HA	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 591, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 26	PRO	HA	27	GLU	HB2	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 385, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 39	GLU	HA	39	GLU	QB	2.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 578, 579,
 &end
#
# 65	GLN	HB3	67	ASN	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 65	GLN	H	65	GLN	HB3	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 65	GLN	HB3	66	THR	H	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1005, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 65	GLN	HB3	66	THR	QG2	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1011,1012,1013,
 &end
#
# 65	GLN	HB2	65	GLN	HE21	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1001, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 26	PRO	HA	27	GLU	HB3	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 386, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 27	GLU	H	27	GLU	HB2	3.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 94	GLN	HB3	95	ILE	H	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1414,1426, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 34	TYR	QD	101	LYS	HD3	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 493, 502,
 &end
#
# 108	LYS	HA	108	LYS	QD	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1675,1676,
 &end
#
# 101	LYS	HA	101	LYS	HD3	4.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,1545, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 64	LYS	HA	64	LYS	QD	4.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 976, 977,
 &end
#
# 34	TYR	QD	101	LYS	HD2	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 493, 502,
 &end
#
# 101	LYS	HA	101	LYS	HD2	4.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,1544, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 77	TYR	HA	77	TYR	QE	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1180,1185,
 &end
#
# 55	VAL	HA	77	TYR	HA	3.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 823,1172, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 43	GLN	QG	44	ASP	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
# 64	LYS	QD	65	GLN	H	5.33	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 976, 977,
 &end
#
# 40	PHE	QE	45	ILE	HG13	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 599, 603,
 &end
#
# 33	ILE	QD1	45	ILE	HG13	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 479, 480, 481,
 &end
#
# 45	ILE	HG13	75	VAL	QG2	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1153,1154,1155,
 &end
#
# 45	ILE	HG13	49	PHE	QD	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 737, 745,
 &end
#
# 45	ILE	H	45	ILE	HG13	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 668, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 45	ILE	HG13	49	PHE	QE	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 739, 743,
 &end
#
# 45	ILE	HA	45	ILE	HG13	3.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 668, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 45	ILE	HG12	49	PHE	QD	3.97	
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 737, 745,
 &end
#
# 45	ILE	H	45	ILE	HG12	4.64	
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 667, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 45	ILE	HG12	75	VAL	QG2	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1153,1154,1155,
 &end
#
# 45	ILE	HA	45	ILE	HG12	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 667, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 33	ILE	HG12	34	TYR	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33	ILE	HG13	34	TYR	H	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 485, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 55	VAL	QG2	77	TYR	HA	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 831, 832, 833,
 &end
#
# 108	LYS	HA	111	SER	QB	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1717,1718,
 &end
#
# 108	LYS	HA	108	LYS	QE	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1678,1679,
 &end
#
# 41	GLY	H	44	ASP	HA	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 647, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 45	ILE	HB	45	ILE	HG13	3.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 668, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 98	LYS	H	98	LYS	QD	5.36	
 &rst
  ixpk= 0, nxpk= 0, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1479,1480,
 &end
#
# 98	LYS	HA	98	LYS	QD	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1471,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1479,1480,
 &end
#
# 98	LYS	QD	99	ARG	H	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1479,1480,
 &end
#
# 45	ILE	HG12	49	PHE	QE	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 739, 743,
 &end
#
# 45	ILE	QG2	45	ILE	HG12	3.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 663, 664, 665,
 &end
#
# 33	ILE	HG12	45	ILE	QD1	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 670, 671, 672,
 &end
#
# 33	ILE	HA	33	ILE	HG12	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 476, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 33	ILE	H	33	ILE	HG12	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 33	ILE	HG12	49	PHE	QE	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 739, 743,
 &end
#
# 33	ILE	HG12	49	PHE	HZ	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 741, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 33	ILE	HG13	49	PHE	QE	4.41	
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 739, 743,
 &end
#
# 33	ILE	HG13	45	ILE	QD1	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 670, 671, 672,
 &end
#
# 32	PHE	HA	33	ILE	HG13	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 107	SER	HA	108	LYS	HA	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat=1656,1667, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 32	PHE	HA	33	ILE	HG12	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32	PHE	HA	33	ILE	HA	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 468, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 105	LYS	HA	106	ARG	H	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1630, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 32	PHE	QE	105	LYS	HA	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 456, 460,
 &end
#
# 105	LYS	HA	105	LYS	QG	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1615,1616,
 &end
#
# 15	VAL	QQG	17	ARG	HA	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 206, 207, 208, 210, 211, 212,
 &end
#
# 32	PHE	HA	33	ILE	QD1	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 479, 480, 481,
 &end
#
# 32	PHE	HA	33	ILE	HB	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 470, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 34	TYR	HA	72	PHE	HB2	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1100, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 34	TYR	HA	35	HIP	HA	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 508, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 33	ILE	QG2	34	TYR	HA	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 472, 473, 474,
 &end
#
# 91	ASN	HA	92	GLY	HA2	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1384, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 91	ASN	HA	102	VAL	HB	4.26	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1560, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 31	LEU	H	76	SER	HA	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,1161, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 34	TYR	HA	36	LEU	HG	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 531, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 91	ASN	HA	102	VAL	H	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1556, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 17	ARG	HA	17	ARG	QD	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 240, 241,
 &end
#
# 59	LYS	HD2	60	VAL	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 899, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 25	GLY	H	76	SER	HA	5.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1161, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 17	ARG	HA	18	GLY	QA	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 256, 257,
 &end
#
# 87	ILE	H	88	GLN	QB	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1328,1329,
 &end
#
# 88	GLN	H	88	GLN	QB	2.69	
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr2=1328,1329,
 &end
#
# 88	GLN	QB	90	MET	H	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1328,1329,
 &end
#
# 47	GLN	QB	48	MET	H	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr1= 699, 700,
 &end
#
# 47	GLN	HA	47	GLN	QB	2.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 699, 700,
 &end
#
# 88	GLN	HA	88	GLN	QB	3.01	
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2=1328,1329,
 &end
#
# 88	GLN	QB	89	ALA	QB	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=1328,1329,
 igr2=1345,1346,1347,
 &end
#
# 87	ILE	QG2	88	GLN	QB	4.43	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1311,1312,1313,
 igr2=1328,1329,
 &end
#
# 85	ALA	QB	88	GLN	QB	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1289,1290,1291,
 igr2=1328,1329,
 &end
#
# 59	LYS	HD3	61	PHE	QE	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 925, 929,
 &end
#
# 59	LYS	HD2	61	PHE	QE	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 925, 929,
 &end
#
# 37	PRO	QG	39	GLU	QG	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 547, 548,
 igr2= 581, 582,
 &end
#
# 37	PRO	QG	40	PHE	QE	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 547, 548,
 igr2= 599, 603,
 &end
#
# 106	ARG	HA	106	ARG	QG	3.43	
 &rst
  ixpk= 0, nxpk= 0, iat=1632,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1637,1638,
 &end
#
# 87	ILE	HA	88	GLN	QB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1328,1329,
 &end
#
# 95	ILE	H	99	ARG	HG3	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1499, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 99	ARG	H	99	ARG	HG3	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1499, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 99	ARG	HA	99	ARG	HG2	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1498, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 94	GLN	HA	99	ARG	HG2	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1498, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 99	ARG	HG2	100	LEU	H	4.36	
 &rst
  ixpk= 0, nxpk= 0, iat=1498,1515, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 94	GLN	QG	99	ARG	HG2	4.12	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1416,1417,
 &end
#
# 100	LEU	HA	100	LEU	QD2	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1528,1529,1530,
 &end
#
# 43	GLN	HB3	44	ASP	H	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 645, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 43	GLN	HB2	44	ASP	H	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 645, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 99	ARG	HG3	100	LEU	H	5.08	
 &rst
  ixpk= 0, nxpk= 0, iat=1499,1515, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 92	GLY	HA2	99	ARG	HG3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 94	GLN	QG	99	ARG	HG3	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1416,1417,
 &end
#
# 99	ARG	H	99	ARG	HG2	4.61	
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1498, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 94	GLN	HA	99	ARG	HA	2.73	
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1493, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
# 93	PHE	HA	94	GLN	HA	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1411, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 81	VAL	HA	84	GLN	QB	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1272,1273,
 &end
#
# 84	GLN	QB	87	ILE	QD1	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1272,1273,
 igr2=1318,1319,1320,
 &end
#
# 43	GLN	H	43	GLN	HB2	3.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 50	MET	H	51	PRO	HG3	5.47	
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 771, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 94	GLN	HA	95	ILE	H	3.11	
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1426, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 93	PHE	QD	94	GLN	HA	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1397,1405,
 &end
#
# 104	LEU	HA	105	LYS	H	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1608, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 84	GLN	QB	84	GLN	HE21	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1272,1273,
 &end
#
# 84	GLN	QB	85	ALA	QB	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1272,1273,
 igr2=1289,1290,1291,
 &end
#
# 37	PRO	QB	95	ILE	HG12	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 550, 551,
 &end
#
# 24	GLU	HA	74	PHE	QE	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1133,1137,
 &end
#
# 23	LYS	HA	24	GLU	HA	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 347, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 22	GLN	HA	57	SER	HA	5.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 858, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 40	PHE	QE	95	ILE	HG12	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 599, 603,
 &end
#
# 93	PHE	QE	95	ILE	HG12	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1399,1403,
 &end
#
# 93	PHE	QD	95	ILE	HG13	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1397,1405,
 &end
#
# 37	PRO	HD3	95	ILE	HG13	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 545,1437, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 37	PRO	QB	95	ILE	HG13	5.08	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 550, 551,
 &end
#
# 95	ILE	H	95	ILE	HG13	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1437, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 37	PRO	QG	95	ILE	HG13	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 547, 548,
 &end
#
# 61	PHE	QE	74	PHE	HA	5.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 925, 929,
 &end
#
# 33	ILE	H	74	PHE	HA	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 466,1125, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 24	GLU	HA	76	SER	HB2	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1163, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 80	PRO	HG2	81	VAL	H	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1231, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 26	PRO	HG3	79	ASN	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 372,1207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79	ASN	HB2	80	PRO	HG3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32	PHE	HA	74	PHE	HA	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 448,1125, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 80	PRO	HG3	81	VAL	H	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1231, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 26	PRO	HG2	80	PRO	HG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 371,1221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45	ILE	QD1	74	PHE	HA	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 670, 671, 672,
 &end
#
# 26	PRO	HG3	79	ASN	HA	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 372,1205, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 26	PRO	HG3	29	ALA	QB	3.41	
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 407, 408, 409,
 &end
#
# 35	HIP	H	72	PHE	HA	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1098, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 33	ILE	QG2	72	PHE	HA	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 472, 473, 474,
 &end
#
# 36	LEU	HA	72	PHE	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36	LEU	HG	72	PHE	HA	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 531,1098, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72	PHE	HA	73	GLY	H	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1098,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 34	TYR	HA	72	PHE	HA	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1098, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 13	GLY	QA	14	LEU	HA	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 176, 177,
 &end
#
# 66	THR	H	67	ASN	HA	4.41	
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 26	PRO	HG2	29	ALA	H	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 403, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 26	PRO	HG2	79	ASN	HA	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 371,1205, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 105	LYS	QG	106	ARG	QG	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1615,1616,
 igr2=1637,1638,
 &end
#
# 106	ARG	H	106	ARG	QG	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat=1630,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1637,1638,
 &end
#
# 36	LEU	HG	73	GLY	H	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 531,1116, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 35	HIP	H	36	LEU	HG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14	LEU	HA	14	LEU	QD2	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 194, 195, 196,
 &end
#
# 17	ARG	H	17	ARG	HG3	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 238, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 17	ARG	H	17	ARG	HG2	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 105	LYS	HA	106	ARG	QG	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1637,1638,
 &end
#
# 43	GLN	HA	46	LEU	HG	5.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 683, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 46	LEU	HG	58	ALA	QB	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 871, 872, 873,
 &end
#
# 46	LEU	HG	50	MET	QG	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 756, 757,
 &end
#
# 56	ILE	H	56	ILE	HG13	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 848, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 56	ILE	HG13	57	SER	H	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 856, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 56	ILE	HG13	77	TYR	HA	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat= 848,1172, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 56	ILE	H	56	ILE	HG12	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 847, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 85	ALA	HA	86	ALA	HA	5.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 85	ALA	HA	88	GLN	QG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1331,1332,
 &end
#
# 85	ALA	HA	89	ALA	QB	5.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1345,1346,1347,
 &end
#
# 85	ALA	HA	89	ALA	H	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1341, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 77	TYR	H	83	ALA	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31	LEU	QD2	83	ALA	HA	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 440, 441, 442,
 &end
#
# 100	LEU	H	100	LEU	HG	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1522, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 112	LYS	QG	113	PRO	HG2	5.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1731,1732,
 &end
#
# 112	LYS	HA	113	PRO	HG2	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1750, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 112	LYS	QB	113	PRO	HG2	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1728,1729,
 &end
#
# 112	LYS	HA	113	PRO	HG3	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1751, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 36	LEU	H	36	LEU	HG	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 531, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 33	ILE	QG2	36	LEU	HG	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 472, 473, 474,
 &end
#
# 56	ILE	HG12	57	SER	H	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 856, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 84	GLN	HA	85	ALA	HA	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1287, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 85	ALA	HA	88	GLN	QB	3.86	
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1328,1329,
 &end
#
# 62	ILE	QG1	70	LYS	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 945, 946,
 &end
#
# 25	GLY	H	56	ILE	HG13	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91	ASN	HA	101	LYS	HA	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1536, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 101	LYS	HA	102	VAL	HB	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,1560, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 62	ILE	HA	62	ILE	HG13	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 946, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 62	ILE	H	62	ILE	HG13	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 946, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 62	ILE	HG12	63	ASP	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62	ILE	HG13	63	ASP	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 946, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62	ILE	HA	62	ILE	HG12	4.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 60	VAL	HB	62	ILE	HG12	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31	LEU	QD2	32	PHE	H	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 440, 441, 442,
 &end
#
# 86	ALA	HA	90	MET	H	4.61	
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1351, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 49	PHE	QE	86	ALA	HA	4.84	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 739, 743,
 &end
#
# 31	LEU	HG	33	ILE	QD1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 479, 480, 481,
 &end
#
# 31	LEU	HG	75	VAL	QG1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1149,1150,1151,
 &end
#
# 31	LEU	H	31	LEU	QD2	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 440, 441, 442,
 &end
#
# 34	TYR	HA	36	LEU	QD2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 537, 538, 539,
 &end
#
# 36	LEU	H	36	LEU	QD2	4.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 537, 538, 539,
 &end
#
# 98	LYS	QB	99	ARG	HA	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1473,1474,
 &end
#
# 35	HIP	HB3	98	LYS	QB	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1473,1474,
 &end
#
# 30	ASN	HA	31	LEU	QD2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 440, 441, 442,
 &end
#
# 31	LEU	HA	31	LEU	QD2	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 440, 441, 442,
 &end
#
# 36	LEU	QD2	40	PHE	HB3	5.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 537, 538, 539,
 &end
#
# 36	LEU	QD2	40	PHE	QD	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 537, 538, 539,
 igr2= 597, 605,
 &end
#
# 36	LEU	QD2	72	PHE	HA	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 537, 538, 539,
 &end
#
# 33	ILE	QG2	36	LEU	QD2	3.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 472, 473, 474,
 igr2= 537, 538, 539,
 &end
#
# 36	LEU	QD2	37	PRO	HD2	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 537, 538, 539,
 &end
#
# 95	ILE	H	99	ARG	HA	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1493, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 99	ARG	HA	100	LEU	H	3.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1493,1515, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 86	ALA	HA	89	ALA	HA	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1343, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 88	GLN	QB	89	ALA	HA	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1328,1329,
 &end
#
# 66	THR	QG2	68	LEU	HG	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1011,1012,1013,
 &end
#
# 70	LYS	HA	70	LYS	QG	3.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1070,1071,
 &end
#
# 63	ASP	HB2	70	LYS	QG	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1070,1071,
 &end
#
# 112	LYS	HA	113	PRO	HD3	2.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1748, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 112	LYS	HA	114	TRP	H	5.08	
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1760, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 70	LYS	H	70	LYS	QG	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1070,1071,
 &end
#
# 63	ASP	HB3	70	LYS	QG	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1070,1071,
 &end
#
# 61	PHE	QD	70	LYS	QG	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 923, 931,
 igr2=1070,1071,
 &end
#
# 100	LEU	H	100	LEU	QD2	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1528,1529,1530,
 &end
#
# 31	LEU	HA	105	LYS	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93	PHE	H	100	LEU	QD2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1528,1529,1530,
 &end
#
# 93	PHE	HB3	100	LEU	QD2	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1528,1529,1530,
 &end
#
# 31	LEU	HA	104	LEU	HA	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1591, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 31	LEU	HA	83	ALA	QB	4.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1262,1263,1264,
 &end
#
# 90	MET	HA	102	VAL	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1566,1567,1568,
 &end
#
# 62	ILE	QG2	68	LEU	HA	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 941, 942, 943,
 &end
#
# 62	ILE	QD1	68	LEU	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 948, 949, 950,
 &end
#
# 89	ALA	H	90	MET	HA	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1353, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 90	MET	HA	93	PHE	H	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1389, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 90	MET	HA	93	PHE	HB3	4.44	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1394, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 90	MET	HA	91	ASN	HA	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1370, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 90	MET	HA	93	PHE	HB2	3.67	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1393, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 89	ALA	HA	90	MET	HA	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 103	GLN	HA	103	GLN	HG2	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1579, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 87	ILE	QG2	103	GLN	HA	3.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1311,1312,1313,
 &end
#
# 68	LEU	HA	69	SER	H	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1052, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 68	LEU	HA	68	LEU	HG	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 103	GLN	HA	104	LEU	H	2.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1589, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 30	ASN	H	104	LEU	HG	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 413,1596, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 104	LEU	HA	104	LEU	HG	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 84	GLN	QG	104	LEU	HG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1275,1276,
 &end
#
# 103	GLN	HA	103	GLN	HG3	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1580, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 104	LEU	HG	105	LYS	H	3.88	
 &rst
  ixpk= 0, nxpk= 0, iat=1596,1608, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 56	ILE	HG13	78	ASP	HA	4.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 848,1193, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 98	LYS	H	98	LYS	HG2	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat=1469,1476, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 46	LEU	HB3	46	LEU	QD1	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 685, 686, 687,
 &end
#
# 31	LEU	QD1	32	PHE	H	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 436, 437, 438,
 &end
#
# 31	LEU	QD1	77	TYR	QE	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 436, 437, 438,
 igr2=1180,1185,
 &end
#
# 31	LEU	QD1	87	ILE	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 436, 437, 438,
 &end
#
# 31	LEU	HA	31	LEU	QD1	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 436, 437, 438,
 &end
#
# 31	LEU	QD1	83	ALA	HA	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 436, 437, 438,
 &end
#
# 31	LEU	QD1	87	ILE	HA	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 436, 437, 438,
 &end
#
# 31	LEU	QD1	87	ILE	HG13	3.58	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 436, 437, 438,
 &end
#
# 31	LEU	HB3	31	LEU	QD1	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 436, 437, 438,
 &end
#
# 77	TYR	HA	78	ASP	HA	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1172,1193, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 25	GLY	HA3	78	ASP	HA	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 363,1193, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 54	ASN	QB	78	ASP	HA	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 811, 812,
 &end
#
# 26	PRO	HG3	78	ASP	HA	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 372,1193, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 105	LYS	H	105	LYS	QG	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1615,1616,
 &end
#
# 53	GLY	HA2	54	ASN	HA	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 809, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 101	LYS	HG2	102	VAL	H	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1556, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 32	PHE	QE	105	LYS	QG	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 456, 460,
 igr2=1615,1616,
 &end
#
# 68	LEU	HA	68	LEU	QD1	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1042,1043,1044,
 &end
#
# 30	ASN	HA	30	ASN	HD22	5.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 30	ASN	HA	31	LEU	QD1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 436, 437, 438,
 &end
#
# 54	ASN	HA	55	VAL	H	2.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 821, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 36	LEU	HA	37	PRO	HD3	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 36	LEU	HA	37	PRO	HD2	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 36	LEU	HA	100	LEU	QD1	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1524,1525,1526,
 &end
#
# 63	ASP	HA	64	LYS	QG	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 973, 974,
 &end
#
# 101	LYS	HA	101	LYS	HG2	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,1541, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 101	LYS	HG3	102	VAL	H	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1542,1556, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 68	LEU	QD1	69	SER	H	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1042,1043,1044,
 &end
#
# 38	GLN	HE22	68	LEU	QD1	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1042,1043,1044,
 &end
#
# 68	LEU	H	68	LEU	QD1	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1042,1043,1044,
 &end
#
# 38	GLN	HE21	68	LEU	QD1	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1042,1043,1044,
 &end
#
# 30	ASN	HA	77	TYR	H	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 415,1170, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 36	LEU	HA	100	LEU	QD2	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1528,1529,1530,
 &end
#
# 101	LYS	H	101	LYS	HG2	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1541, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 101	LYS	H	101	LYS	HG3	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1542, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 101	LYS	HA	101	LYS	HG3	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,1542, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 14	LEU	HA	14	LEU	QD1	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 190, 191, 192,
 &end
#
# 111	SER	QB	112	LYS	QG	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1717,1718,
 igr2=1731,1732,
 &end
#
# 93	PHE	H	100	LEU	QD1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1524,1525,1526,
 &end
#
# 93	PHE	QD	100	LEU	QD1	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1397,1405,
 igr2=1524,1525,1526,
 &end
#
# 100	LEU	H	100	LEU	QD1	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1524,1525,1526,
 &end
#
# 100	LEU	HA	100	LEU	QD1	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1524,1525,1526,
 &end
#
# 34	TYR	HA	36	LEU	QD1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 533, 534, 535,
 &end
#
# 36	LEU	QD1	40	PHE	HB3	5.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 533, 534, 535,
 &end
#
# 59	LYS	HG2	61	PHE	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
# 59	LYS	HG2	74	PHE	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1139,
 &end
#
# 59	LYS	HG3	61	PHE	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
# 59	LYS	HG3	74	PHE	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1139,
 &end
#
# 36	LEU	QD1	72	PHE	HA	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 533, 534, 535,
 &end
#
# 36	LEU	H	36	LEU	QD1	4.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 533, 534, 535,
 &end
#
# 36	LEU	QD1	40	PHE	QD	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 533, 534, 535,
 igr2= 597, 605,
 &end
#
# 36	LEU	QD1	37	PRO	HD2	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 533, 534, 535,
 &end
#
# 104	LEU	H	104	LEU	QQD	3.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 104	LEU	QQD	105	LYS	H	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1598,1599,1600,1602,1603,1604,
 &end
#
# 30	ASN	H	104	LEU	QQD	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 31	LEU	HA	104	LEU	QQD	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 104	LEU	HA	104	LEU	QQD	2.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1591,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 104	LEU	HB2	104	LEU	QQD	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat=1593,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 79	ASN	H	80	PRO	HD3	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1219, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 49	PHE	HA	51	PRO	HD3	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 768, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 91	ASN	HB2	102	VAL	QG1	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1562,1563,1564,
 &end
#
# 46	LEU	QD2	50	MET	QG	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 689, 690, 691,
 igr2= 756, 757,
 &end
#
# 46	LEU	HB3	46	LEU	QD2	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 689, 690, 691,
 &end
#
# 58	ALA	HA	75	VAL	HA	3.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 869,1145, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 79	ASN	HA	80	PRO	HD2	3.13	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1218, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 79	ASN	HB2	80	PRO	HD2	3.64	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1218, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 26	PRO	HG2	80	PRO	HD2	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 371,1218, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 80	PRO	HD2	82	SER	H	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1247, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 80	PRO	HD3	81	VAL	H	4.23	
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1231, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 29	ALA	QB	80	PRO	HD3	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 407, 408, 409,
 &end
#
# 26	PRO	HG2	80	PRO	HD3	3.74	
 &rst
  ixpk= 0, nxpk= 0, iat= 371,1219, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 49	PHE	HA	51	PRO	HD2	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 767, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 50	MET	HB3	51	PRO	HD3	4.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 768, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 50	MET	H	51	PRO	HD3	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 768, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 47	GLN	HA	51	PRO	HD3	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 768, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 51	PRO	HD3	52	PHE	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 780, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 102	VAL	QG1	103	GLN	H	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1562,1563,1564,
 &end
#
# 49	PHE	QE	102	VAL	QG1	3.26	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 739, 743,
 igr2=1562,1563,1564,
 &end
#
# 91	ASN	HA	102	VAL	QG1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1562,1563,1564,
 &end
#
# 102	VAL	QG1	104	LEU	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1562,1563,1564,
 &end
#
# 87	ILE	HG12	102	VAL	QG1	3.07	
 &rst
  ixpk= 0, nxpk= 0, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1562,1563,1564,
 &end
#
# 33	ILE	QD1	102	VAL	QG1	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 479, 480, 481,
 igr2=1562,1563,1564,
 &end
#
# 58	ALA	HA	75	VAL	QG1	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1149,1150,1151,
 &end
#
# 58	ALA	HA	59	LYS	H	3.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 877, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 78	ASP	H	79	ASN	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77	TYR	HB2	79	ASN	HA	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1205, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 79	ASN	HA	80	PRO	HA	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1227, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 79	ASN	HA	80	PRO	HD3	3.09	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1219, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 79	ASN	HA	80	PRO	HG2	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1221, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 29	ALA	HA	80	PRO	HD2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29	ALA	HA	80	PRO	HG3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29	ALA	HA	77	TYR	QD	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1178,1187,
 &end
#
# 15	VAL	QQG	16	PRO	HD2	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 206, 207, 208, 210, 211, 212,
 &end
#
# 29	ALA	HA	83	ALA	H	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 29	ALA	HA	80	PRO	HB3	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,1225, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 29	ALA	HA	80	PRO	HB2	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,1224, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 28	GLY	HA2	29	ALA	HA	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 405, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 15	VAL	H	16	PRO	HD3	5.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 218, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 68	LEU	QD2	69	SER	H	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1046,1047,1048,
 &end
#
# 38	GLN	HE22	68	LEU	QD2	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1046,1047,1048,
 &end
#
# 68	LEU	HA	68	LEU	QD2	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1046,1047,1048,
 &end
#
# 50	MET	QG	55	VAL	QG2	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 756, 757,
 igr2= 831, 832, 833,
 &end
#
# 55	VAL	QG2	56	ILE	H	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 831, 832, 833,
 &end
#
# 55	VAL	H	55	VAL	QG2	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 831, 832, 833,
 &end
#
# 55	VAL	HA	55	VAL	QG2	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 831, 832, 833,
 &end
#
# 55	VAL	QG2	75	VAL	QG1	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 831, 832, 833,
 igr2=1149,1150,1151,
 &end
#
# 50	MET	HA	55	VAL	QG2	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 831, 832, 833,
 &end
#
# 112	LYS	H	113	PRO	HD3	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat=1724,1748, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 60	VAL	H	60	VAL	QG1	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 905, 906, 907,
 &end
#
# 60	VAL	HA	60	VAL	QG1	3.42	
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 905, 906, 907,
 &end
#
# 55	VAL	QG1	56	ILE	H	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 827, 828, 829,
 &end
#
# 55	VAL	H	55	VAL	QG1	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 827, 828, 829,
 &end
#
# 50	MET	HA	55	VAL	QG1	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 827, 828, 829,
 &end
#
# 55	VAL	HA	55	VAL	QG1	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 827, 828, 829,
 &end
#
# 55	VAL	QG1	77	TYR	HA	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 827, 828, 829,
 &end
#
# 50	MET	QG	55	VAL	QG1	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 756, 757,
 igr2= 827, 828, 829,
 &end
#
# 55	VAL	QG1	75	VAL	QG1	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 827, 828, 829,
 igr2=1149,1150,1151,
 &end
#
# 112	LYS	QG	113	PRO	HD3	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1731,1732,
 &end
#
# 112	LYS	QB	113	PRO	HD3	3.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1728,1729,
 &end
#
# 112	LYS	QB	113	PRO	HD2	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1747, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1728,1729,
 &end
#
# 112	LYS	HA	113	PRO	HD2	2.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1747, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 112	LYS	H	113	PRO	HD2	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat=1724,1747, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 112	LYS	QG	113	PRO	HD2	4.23	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1747, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1731,1732,
 &end
#
# 81	VAL	H	81	VAL	QG1	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1237,1238,1239,
 &end
#
# 81	VAL	QG1	82	SER	H	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1237,1238,1239,
 &end
#
# 74	PHE	H	75	VAL	QG2	3.95	
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1153,1154,1155,
 &end
#
# 75	VAL	QG2	76	SER	H	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1153,1154,1155,
 &end
#
# 49	PHE	QD	75	VAL	QG2	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 737, 745,
 igr2=1153,1154,1155,
 &end
#
# 75	VAL	H	75	VAL	QG2	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1153,1154,1155,
 &end
#
# 49	PHE	H	75	VAL	QG2	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1153,1154,1155,
 &end
#
# 49	PHE	QE	75	VAL	QG2	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 739, 743,
 igr2=1153,1154,1155,
 &end
#
# 58	ALA	HA	75	VAL	QG2	3.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1153,1154,1155,
 &end
#
# 75	VAL	HA	75	VAL	QG2	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1153,1154,1155,
 &end
#
# 46	LEU	HA	75	VAL	QG2	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1153,1154,1155,
 &end
#
# 49	PHE	HB3	75	VAL	QG2	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1153,1154,1155,
 &end
#
# 49	PHE	HB2	75	VAL	QG2	3.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1153,1154,1155,
 &end
#
# 33	ILE	HG12	75	VAL	QG2	3.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1153,1154,1155,
 &end
#
# 45	ILE	QG2	75	VAL	QG2	2.84	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 663, 664, 665,
 igr2=1153,1154,1155,
 &end
#
# 45	ILE	QD1	75	VAL	QG2	2.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 670, 671, 672,
 igr2=1153,1154,1155,
 &end
#
# 102	VAL	QG2	103	GLN	H	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1566,1567,1568,
 &end
#
# 102	VAL	H	102	VAL	QG2	3.31	
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1566,1567,1568,
 &end
#
# 101	LYS	HA	102	VAL	QG2	3.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1566,1567,1568,
 &end
#
# 102	VAL	HA	102	VAL	QG2	3.18	
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1566,1567,1568,
 &end
#
# 91	ASN	HA	102	VAL	QG2	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1566,1567,1568,
 &end
#
# 87	ILE	HG12	102	VAL	QG2	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1566,1567,1568,
 &end
#
# 33	ILE	QD1	102	VAL	QG2	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 479, 480, 481,
 igr2=1566,1567,1568,
 &end
#
# 34	TYR	H	102	VAL	QG2	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1566,1567,1568,
 &end
#
# 91	ASN	H	102	VAL	QG2	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1566,1567,1568,
 &end
#
# 87	ILE	HA	102	VAL	QG2	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1566,1567,1568,
 &end
#
# 36	LEU	H	37	PRO	HD3	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 545, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 37	PRO	HD3	40	PHE	QD	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 597, 605,
 &end
#
# 37	PRO	HD2	40	PHE	QE	5.45	
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 599, 603,
 &end
#
# 37	PRO	HD2	40	PHE	HB3	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 594, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 89	ALA	QB	90	MET	H	3.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1345,1346,1347,
 &end
#
# 87	ILE	H	89	ALA	QB	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1345,1346,1347,
 &end
#
# 88	GLN	H	89	ALA	QB	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1345,1346,1347,
 &end
#
# 89	ALA	H	89	ALA	QB	2.62	
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2=1345,1346,1347,
 &end
#
# 52	PHE	QE	89	ALA	QB	3.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 790, 794,
 igr2=1345,1346,1347,
 &end
#
# 89	ALA	QB	90	MET	HA	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1345,1346,1347,
 &end
#
# 86	ALA	HA	89	ALA	QB	3.11	
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1345,1346,1347,
 &end
#
# 85	ALA	QB	89	ALA	QB	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1289,1290,1291,
 igr2=1345,1346,1347,
 &end
#
# 46	LEU	HB3	58	ALA	QB	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 871, 872, 873,
 &end
#
# 55	VAL	HB	58	ALA	QB	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 871, 872, 873,
 &end
#
# 66	THR	QG2	67	ASN	H	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1011,1012,1013,
 &end
#
# 66	THR	H	66	THR	QG2	2.86	
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2=1011,1012,1013,
 &end
#
# 65	GLN	HB2	66	THR	QG2	3.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2=1011,1012,1013,
 &end
#
# 58	ALA	QB	75	VAL	QG2	2.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 871, 872, 873,
 igr2=1153,1154,1155,
 &end
#
# 58	ALA	QB	75	VAL	QG1	3.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 871, 872, 873,
 igr2=1149,1150,1151,
 &end
#
# 58	ALA	QB	75	VAL	HA	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 871, 872, 873,
 &end
#
# 46	LEU	HA	58	ALA	QB	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 871, 872, 873,
 &end
#
# 60	VAL	H	60	VAL	QG2	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 909, 910, 911,
 &end
#
# 60	VAL	HA	60	VAL	QG2	3.42	
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 909, 910, 911,
 &end
#
# 49	PHE	QE	75	VAL	QG1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 739, 743,
 igr2=1149,1150,1151,
 &end
#
# 74	PHE	QE	75	VAL	QG1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1133,1137,
 igr2=1149,1150,1151,
 &end
#
# 25	GLY	H	26	PRO	HD2	4.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 368, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 26	PRO	HD2	29	ALA	QB	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 407, 408, 409,
 &end
#
# 26	PRO	HD2	78	ASP	HA	4.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 368,1193, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 26	PRO	HD3	78	ASP	HA	3.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 369,1193, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 25	GLY	HA2	26	PRO	HD3	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 369, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 25	GLY	HA3	26	PRO	HD3	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 369, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 26	PRO	HD3	56	ILE	QD1	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 850, 851, 852,
 &end
#
# 26	PRO	HG2	29	ALA	QB	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 407, 408, 409,
 &end
#
# 46	LEU	HB2	58	ALA	QB	3.33	
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 871, 872, 873,
 &end
#
# 81	VAL	H	81	VAL	QG2	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1241,1242,1243,
 &end
#
# 81	VAL	QG2	82	SER	H	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1241,1242,1243,
 &end
#
# 79	ASN	HD22	81	VAL	QG2	5.37	
 &rst
  ixpk= 0, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1241,1242,1243,
 &end
#
# 75	VAL	QG1	76	SER	H	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1=1149,1150,1151,
 &end
#
# 49	PHE	QD	75	VAL	QG1	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 737, 745,
 igr2=1149,1150,1151,
 &end
#
# 75	VAL	H	75	VAL	QG1	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1149,1150,1151,
 &end
#
# 75	VAL	HA	75	VAL	QG1	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1149,1150,1151,
 &end
#
# 46	LEU	HA	75	VAL	QG1	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1149,1150,1151,
 &end
#
# 55	VAL	HA	75	VAL	QG1	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1149,1150,1151,
 &end
#
# 49	PHE	HB3	75	VAL	QG1	3.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1149,1150,1151,
 &end
#
# 49	PHE	HB2	75	VAL	QG1	3.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1149,1150,1151,
 &end
#
# 49	PHE	H	75	VAL	QG1	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1149,1150,1151,
 &end
#
# 26	PRO	HD2	77	TYR	HB2	5.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 368,1174, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 26	PRO	HD2	56	ILE	QD1	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 850, 851, 852,
 &end
#
# 25	GLY	H	26	PRO	HD3	5.29	
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 369, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 26	PRO	HD3	29	ALA	QB	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 407, 408, 409,
 &end
#
# 15	VAL	QQG	16	PRO	HD3	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 206, 207, 208, 210, 211, 212,
 &end
#
# 75	VAL	QG1	76	SER	HA	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1149,1150,1151,
 &end
#
# 29	ALA	H	29	ALA	QB	2.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 407, 408, 409,
 &end
#
# 29	ALA	QB	30	ASN	H	3.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 407, 408, 409,
 &end
#
# 29	ALA	QB	79	ASN	H	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 407, 408, 409,
 &end
#
# 29	ALA	QB	77	TYR	QD	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 407, 408, 409,
 igr2=1178,1187,
 &end
#
# 29	ALA	QB	79	ASN	HA	3.97	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 407, 408, 409,
 &end
#
# 25	GLY	HA3	29	ALA	QB	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 407, 408, 409,
 &end
#
# 29	ALA	QB	77	TYR	HB3	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 407, 408, 409,
 &end
#
# 29	ALA	QB	30	ASN	HA	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 407, 408, 409,
 &end
#
# 33	ILE	QG2	34	TYR	QD	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 472, 473, 474,
 igr2= 493, 502,
 &end
#
# 33	ILE	QG2	100	LEU	HA	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 472, 473, 474,
 &end
#
# 33	ILE	QG2	34	TYR	H	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 472, 473, 474,
 &end
#
# 33	ILE	H	33	ILE	QG2	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 472, 473, 474,
 &end
#
# 33	ILE	QG2	101	LYS	H	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 472, 473, 474,
 &end
#
# 33	ILE	QG2	49	PHE	QD	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 472, 473, 474,
 igr2= 737, 745,
 &end
#
# 32	PHE	HA	33	ILE	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 472, 473, 474,
 &end
#
# 33	ILE	HA	33	ILE	QG2	3.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 472, 473, 474,
 &end
#
# 33	ILE	QG2	33	ILE	HG12	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1= 472, 473, 474,
 &end
#
# 33	ILE	QG2	102	VAL	QG2	3.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 472, 473, 474,
 igr2=1566,1567,1568,
 &end
#
# 33	ILE	QG2	36	LEU	QD1	3.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 472, 473, 474,
 igr2= 533, 534, 535,
 &end
#
# 33	ILE	QG2	33	ILE	QD1	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 472, 473, 474,
 igr2= 479, 480, 481,
 &end
#
# 33	ILE	QG2	45	ILE	HG13	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 472, 473, 474,
 &end
#
# 33	ILE	QG2	34	TYR	HB3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 472, 473, 474,
 &end
#
# 34	TYR	H	34	TYR	QD	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 493, 502,
 &end
#
# 34	TYR	QD	35	HIP	H	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 493, 502,
 &end
#
# 34	TYR	QD	35	HIP	HD2	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 493, 502,
 &end
#
# 34	TYR	QD	72	PHE	QD	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 493, 502,
 igr2=1104,1112,
 &end
#
# 34	TYR	QD	72	PHE	HA	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 493, 502,
 &end
#
# 34	TYR	HA	34	TYR	QD	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 493, 502,
 &end
#
# 34	TYR	QD	73	GLY	H	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 493, 502,
 &end
#
# 72	PHE	H	72	PHE	QD	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1104,1112,
 &end
#
# 70	LYS	HA	72	PHE	QD	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1104,1112,
 &end
#
# 46	LEU	HA	49	PHE	QD	4.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 737, 745,
 &end
#
# 45	ILE	HA	49	PHE	QD	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 737, 745,
 &end
#
# 48	MET	HB3	49	PHE	QD	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 737, 745,
 &end
#
# 72	PHE	QD	73	GLY	H	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1104,1112,
 &end
#
# 33	ILE	H	72	PHE	QD	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1104,1112,
 &end
#
# 34	TYR	HA	72	PHE	QD	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1104,1112,
 &end
#
# 70	LYS	HB3	72	PHE	QD	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1104,1112,
 &end
#
# 70	LYS	HB2	72	PHE	QD	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1104,1112,
 &end
#
# 72	PHE	QD	73	GLY	HA2	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1104,1112,
 &end
#
# 49	PHE	H	49	PHE	QD	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 737, 745,
 &end
#
# 49	PHE	QD	86	ALA	QB	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 737, 745,
 igr2=1299,1300,1301,
 &end
#
# 54	ASN	H	77	TYR	QD	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1178,1187,
 &end
#
# 77	TYR	QD	82	SER	HB3	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1178,1187,
 &end
#
# 77	TYR	QD	82	SER	HB2	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1178,1187,
 &end
#
# 77	TYR	QD	78	ASP	H	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1178,1187,
 &end
#
# 77	TYR	QD	83	ALA	H	4.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1178,1187,
 &end
#
# 77	TYR	HA	77	TYR	QD	3.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1178,1187,
 &end
#
# 53	GLY	HA3	77	TYR	QD	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1178,1187,
 &end
#
# 55	VAL	HA	77	TYR	QD	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1178,1187,
 &end
#
# 77	TYR	QD	83	ALA	HA	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1178,1187,
 &end
#
# 77	TYR	QD	83	ALA	QB	3.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1178,1187,
 igr2=1262,1263,1264,
 &end
#
# 49	PHE	HB3	52	PHE	QE	5.41	
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 790, 794,
 &end
#
# 51	PRO	HD2	52	PHE	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 790, 794,
 &end
#
# 93	PHE	QD	95	ILE	H	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1397,1405,
 &end
#
# 93	PHE	HA	93	PHE	QD	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=1397,1405,
 &end
#
# 93	PHE	QD	95	ILE	HB	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1397,1405,
 &end
#
# 90	MET	QE	93	PHE	QD	3.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1362,1363,1364,
 igr2=1397,1405,
 &end
#
# 93	PHE	QD	100	LEU	QD2	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1397,1405,
 igr2=1528,1529,1530,
 &end
#
# 56	ILE	H	77	TYR	QD	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2=1178,1187,
 &end
#
# 75	VAL	QG1	77	TYR	QD	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1149,1150,1151,
 igr2=1178,1187,
 &end
#
# 76	SER	HA	77	TYR	QD	4.41	
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1178,1187,
 &end
#
# 40	PHE	HA	40	PHE	QE	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 599, 603,
 &end
#
# 40	PHE	QE	45	ILE	HA	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 599, 603,
 &end
#
# 39	GLU	QG	40	PHE	QE	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 581, 582,
 igr2= 599, 603,
 &end
#
# 40	PHE	QE	48	MET	QE	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 599, 603,
 igr2= 723, 724, 725,
 &end
#
# 36	LEU	HA	40	PHE	QE	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 599, 603,
 &end
#
# 51	PRO	HB2	52	PHE	QE	4.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 790, 794,
 &end
#
# 93	PHE	QD	100	LEU	HG	3.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1397,1405,
 &end
#
# 74	PHE	HA	74	PHE	QD	3.73	
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1131,1139,
 &end
#
# 32	PHE	HA	74	PHE	QD	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1131,1139,
 &end
#
# 52	PHE	QE	89	ALA	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 790, 794,
 &end
#
# 52	PHE	HA	52	PHE	QE	4.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 790, 794,
 &end
#
# 52	PHE	QE	86	ALA	HA	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 790, 794,
 &end
#
# 74	PHE	QD	105	LYS	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1139,
 igr2=1618,1619,
 &end
#
# 61	PHE	H	61	PHE	QD	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 923, 931,
 &end
#
# 61	PHE	HA	61	PHE	QD	3.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 923, 931,
 &end
#
# 93	PHE	QE	95	ILE	H	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1399,1403,
 &end
#
# 48	MET	QE	93	PHE	QE	3.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 723, 724, 725,
 igr2=1399,1403,
 &end
#
# 90	MET	HA	93	PHE	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1403,
 &end
#
# 32	PHE	QD	103	GLN	H	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 454, 462,
 &end
#
# 93	PHE	QE	95	ILE	HG13	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1399,1403,
 &end
#
# 93	PHE	QE	95	ILE	HA	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1399,1403,
 &end
#
# 32	PHE	HA	32	PHE	QD	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 454, 462,
 &end
#
# 32	PHE	QD	105	LYS	HA	4.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 454, 462,
 &end
#
# 32	PHE	QD	74	PHE	HA	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 454, 462,
 &end
#
# 34	TYR	QE	72	PHE	QE	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 495, 500,
 igr2=1106,1110,
 &end
#
# 52	PHE	QD	89	ALA	QB	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 788, 796,
 igr2=1345,1346,1347,
 &end
#
# 32	PHE	H	32	PHE	QD	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 454, 462,
 &end
#
# 32	PHE	QD	33	ILE	H	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 454, 462,
 &end
#
# 32	PHE	QD	34	TYR	QE	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 454, 462,
 igr2= 495, 500,
 &end
#
# 32	PHE	QD	103	GLN	QB	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 454, 462,
 igr2=1576,1577,
 &end
#
# 70	LYS	HB3	72	PHE	QE	4.01	
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1106,1110,
 &end
#
# 72	PHE	QE	73	GLY	HA2	5.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1106,1110,
 &end
#
# 70	LYS	HB2	72	PHE	QE	4.01	
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1106,1110,
 &end
#
# 70	LYS	QG	72	PHE	QE	4.24	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1070,1071,
 igr2=1106,1110,
 &end
#
# 52	PHE	H	52	PHE	QD	3.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 788, 796,
 &end
#
# 52	PHE	HA	52	PHE	QD	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 788, 796,
 &end
#
# 49	PHE	HB3	52	PHE	QD	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 788, 796,
 &end
#
# 52	PHE	QD	86	ALA	HA	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 788, 796,
 &end
#
# 51	PRO	HB2	52	PHE	QD	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 788, 796,
 &end
#
# 61	PHE	H	72	PHE	QE	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1106,1110,
 &end
#
# 52	PHE	QD	53	GLY	H	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 788, 796,
 &end
#
# 49	PHE	QD	52	PHE	QD	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 737, 745,
 igr2= 788, 796,
 &end
#
# 51	PRO	HG2	52	PHE	QD	3.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 788, 796,
 &end
#
# 52	PHE	QD	86	ALA	QB	3.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 788, 796,
 igr2=1299,1300,1301,
 &end
#
# 32	PHE	HA	32	PHE	QE	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 456, 460,
 &end
#
# 61	PHE	QE	73	GLY	HA2	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 925, 929,
 &end
#
# 74	PHE	QE	105	LYS	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1133,1137,
 igr2=1621,1622,
 &end
#
# 40	PHE	HZ	48	MET	QE	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 723, 724, 725,
 &end
#
# 40	PHE	HZ	95	ILE	QD1	3.68	
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1439,1440,1441,
 &end
#
# 52	PHE	HZ	86	ALA	HA	5.41	
 &rst
  ixpk= 0, nxpk= 0, iat= 792,1297, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 49	PHE	H	49	PHE	QE	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 739, 743,
 &end
#
# 49	PHE	QE	86	ALA	QB	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 739, 743,
 igr2=1299,1300,1301,
 &end
#
# 33	ILE	QG2	49	PHE	QE	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 472, 473, 474,
 igr2= 739, 743,
 &end
#
# 33	ILE	QD1	49	PHE	QE	4.23	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 479, 480, 481,
 igr2= 739, 743,
 &end
#
# 49	PHE	QE	87	ILE	H	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 739, 743,
 &end
#
# 52	PHE	HZ	89	ALA	HA	5.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 792,1343, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 52	PHE	HZ	89	ALA	QB	3.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1345,1346,1347,
 &end
#
# 45	ILE	HA	49	PHE	QE	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 739, 743,
 &end
#
# 37	PRO	QG	40	PHE	QD	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 547, 548,
 igr2= 597, 605,
 &end
#
# 39	GLU	H	40	PHE	QD	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 597, 605,
 &end
#
# 36	LEU	HA	40	PHE	QD	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 597, 605,
 &end
#
# 93	PHE	HZ	95	ILE	QD1	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1439,1440,1441,
 &end
#
# 48	MET	QE	93	PHE	HZ	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 723, 724, 725,
 &end
#
# 40	PHE	H	40	PHE	QD	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 597, 605,
 &end
#
# 40	PHE	HA	40	PHE	QD	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 597, 605,
 &end
#
# 40	PHE	QD	45	ILE	HA	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 597, 605,
 &end
#
# 39	GLU	QG	40	PHE	QD	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 581, 582,
 igr2= 597, 605,
 &end
#
# 37	PRO	QB	40	PHE	QD	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 550, 551,
 igr2= 597, 605,
 &end
#
# 32	PHE	HZ	105	LYS	HA	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 458,1610, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 61	PHE	HB2	72	PHE	HZ	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 919,1108, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 24	GLU	HA	74	PHE	HZ	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1135, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 24	GLU	HB3	74	PHE	HZ	4.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 350,1135, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 61	PHE	HB3	72	PHE	HZ	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 920,1108, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 30	ASN	HA	74	PHE	HZ	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 415,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74	PHE	HZ	76	SER	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74	PHE	HZ	76	SER	HB3	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1164, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 74	PHE	HZ	76	SER	HB2	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1163, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 25	GLY	H	74	PHE	HZ	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24	GLU	HB2	74	PHE	HZ	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49	PHE	HZ	90	MET	HB2	3.95	
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1355, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 49	PHE	HZ	90	MET	HB3	3.95	
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1356, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 49	PHE	HZ	102	VAL	QG2	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1566,1567,1568,
 &end
#
# 33	ILE	QG2	49	PHE	HZ	3.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 472, 473, 474,
 &end
#
# 33	ILE	HG13	49	PHE	HZ	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 741, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 33	ILE	QD1	49	PHE	HZ	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 479, 480, 481,
 &end
#
# 49	PHE	HZ	90	MET	QE	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1362,1363,1364,
 &end
#
# 114	TRP	HA	114	TRP	HE3	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat=1762,1779, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 35	HIP	H	35	HIP	HD2	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 35	HIP	HD2	101	LYS	H	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 520,1534, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 34	TYR	HB2	35	HIP	HD2	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 520, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 35	HIP	HA	35	HIP	HD2	3.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 34	TYR	HB3	35	HIP	HD2	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 520, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 49	PHE	QD	77	TYR	QE	3.98	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 737, 745,
 igr2=1180,1185,
 &end
#
# 53	GLY	H	77	TYR	QE	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1180,1185,
 &end
#
# 54	ASN	H	77	TYR	QE	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1180,1185,
 &end
#
# 53	GLY	HA3	77	TYR	QE	4.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2=1180,1185,
 &end
#
# 77	TYR	QE	83	ALA	HA	3.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1180,1185,
 &end
#
# 49	PHE	HB3	77	TYR	QE	4.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1180,1185,
 &end
#
# 77	TYR	QE	86	ALA	QB	3.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1180,1185,
 igr2=1299,1300,1301,
 &end
#
# 31	LEU	QD2	77	TYR	QE	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 440, 441, 442,
 igr2=1180,1185,
 &end
#
# 75	VAL	QG1	77	TYR	QE	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1149,1150,1151,
 igr2=1180,1185,
 &end
#
# 52	PHE	HB3	77	TYR	QE	3.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1180,1185,
 &end
#
# 52	PHE	QD	77	TYR	QE	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 788, 796,
 igr2=1180,1185,
 &end
#
# 77	TYR	QE	86	ALA	HA	5.49	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1180,1185,
 &end
#
# 34	TYR	H	34	TYR	QE	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 495, 500,
 &end
#
# 32	PHE	QB	34	TYR	QE	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 450, 451,
 igr2= 495, 500,
 &end
#
# 34	TYR	QE	101	LYS	HD2	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 495, 500,
 &end
#
# 34	TYR	QE	72	PHE	QD	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 495, 500,
 igr2=1104,1112,
 &end
#
# 32	PHE	HA	34	TYR	QE	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 495, 500,
 &end
#
# 34	TYR	QE	103	GLN	QB	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 495, 500,
 igr2=1576,1577,
 &end
#
# 34	TYR	QE	101	LYS	HD3	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 495, 500,
 &end
#
# 34	TYR	QE	102	VAL	HA	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 495, 500,
 &end
#
# 34	TYR	HA	73	GLY	H	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1116, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 33	ILE	H	73	GLY	H	4.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 466,1116, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 72	PHE	HB3	73	GLY	H	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 33	ILE	QG2	73	GLY	H	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 472, 473, 474,
 &end
#
# 33	ILE	QD1	73	GLY	H	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 479, 480, 481,
 &end
#
# 66	THR	H	67	ASN	HB2	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1023, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 66	THR	H	67	ASN	H	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1019, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 65	GLN	HB2	66	THR	H	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1005, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 62	ILE	QG2	66	THR	H	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 941, 942, 943,
 &end
#
# 93	PHE	QD	94	GLN	H	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1397,1405,
 &end
#
# 94	GLN	H	95	ILE	H	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1426, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 93	PHE	H	94	GLN	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1409, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 93	PHE	HA	94	GLN	H	2.76	
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1409, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 93	PHE	HB2	94	GLN	H	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1409, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 93	PHE	HB3	94	GLN	H	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1409, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 94	GLN	H	94	GLN	HB2	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 94	GLN	H	94	GLN	HB3	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1414, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 94	GLN	H	99	ARG	HG2	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1498, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 55	VAL	H	56	ILE	H	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 837, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 55	VAL	H	77	TYR	HA	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 821,1172, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 53	GLY	H	54	ASN	H	4.41	
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 807, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 53	GLY	H	77	TYR	QD	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1178,1187,
 &end
#
# 52	PHE	H	53	GLY	H	2.95	
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 800, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 51	PRO	HA	53	GLY	H	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 800, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 52	PHE	HB2	53	GLY	H	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 800, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 52	PHE	HB3	53	GLY	H	4.41	
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 51	PRO	HG2	53	GLY	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55	VAL	H	77	TYR	QD	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1178,1187,
 &end
#
# 55	VAL	H	77	TYR	QE	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1180,1185,
 &end
#
# 55	VAL	H	55	VAL	HB	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 825, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 53	GLY	H	86	ALA	QB	5.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1299,1300,1301,
 &end
#
# 64	LYS	H	65	GLN	HB2	5.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 992, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 64	LYS	H	65	GLN	H	3.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 988, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 64	LYS	H	66	THR	H	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 966,1005, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 63	ASP	HA	64	LYS	H	2.91	
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 64	LYS	H	65	GLN	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64	LYS	H	67	ASN	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 966,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64	LYS	H	70	LYS	QE	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1076,1077,
 &end
#
# 63	ASP	HB2	64	LYS	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 966, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 64	LYS	H	64	LYS	QB	2.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 970, 971,
 &end
#
# 64	LYS	H	64	LYS	QD	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 976, 977,
 &end
#
# 64	LYS	H	64	LYS	QG	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 973, 974,
 &end
#
# 62	ILE	QG2	64	LYS	H	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 941, 942, 943,
 &end
#
# 106	ARG	H	106	ARG	HE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56	ILE	H	75	VAL	QG1	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1149,1150,1151,
 &end
#
# 49	PHE	H	50	MET	H	3.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 749, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 48	MET	H	50	MET	H	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 749, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 47	GLN	HA	50	MET	H	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 749, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 48	MET	HA	50	MET	H	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 749, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 46	LEU	HA	50	MET	H	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 749, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 50	MET	H	51	PRO	HD2	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 767, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 50	MET	H	55	VAL	QG1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 827, 828, 829,
 &end
#
# 50	MET	H	55	VAL	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 831, 832, 833,
 &end
#
# 63	ASP	HB3	64	LYS	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 56	ILE	H	77	TYR	HA	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,1172, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 61	PHE	H	73	GLY	HA2	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 915,1118, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 60	VAL	H	61	PHE	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60	VAL	HA	61	PHE	H	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 915, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 63	ASP	H	64	LYS	H	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 966, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 95	ILE	H	96	GLY	H	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1445, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 95	ILE	H	98	LYS	H	3.59	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1469, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 95	ILE	H	95	ILE	HB	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1430, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 95	ILE	H	99	ARG	HG2	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1498, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 95	ILE	H	100	LEU	H	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1515, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 94	GLN	HB2	95	ILE	H	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1426, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 95	ILE	H	98	LYS	QB	5.26	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1473,1474,
 &end
#
# 38	GLN	H	40	PHE	H	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 589, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 37	PRO	HA	38	GLN	H	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 38	GLN	H	38	GLN	HG2	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 564, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 38	GLN	H	39	GLU	QG	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 581, 582,
 &end
#
# 63	ASP	H	70	LYS	H	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat= 954,1063, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 62	ILE	HA	63	ASP	H	3.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 954, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 63	ASP	H	67	ASN	HA	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 954,1021, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 63	ASP	H	63	ASP	HB3	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 63	ASP	H	63	ASP	HB2	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 63	ASP	H	70	LYS	QG	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1070,1071,
 &end
#
# 92	GLY	H	102	VAL	H	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1556, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 101	LYS	HA	102	VAL	H	2.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,1556, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 91	ASN	HB2	102	VAL	H	4.24	
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1556, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 102	VAL	H	102	VAL	HB	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1560, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 102	VAL	H	102	VAL	QG1	4.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1562,1563,1564,
 &end
#
# 57	SER	HA	58	ALA	H	2.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 867, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 58	ALA	H	58	ALA	QB	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 871, 872, 873,
 &end
#
# 58	ALA	H	75	VAL	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
# 58	ALA	H	75	VAL	QG1	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1149,1150,1151,
 &end
#
# 58	ALA	H	75	VAL	HA	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 867,1145, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 69	SER	HA	70	LYS	H	3.41	
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1063, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 69	SER	HB3	70	LYS	H	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1063, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 69	SER	HB2	70	LYS	H	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1063, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 114	TRP	H	114	TRP	HD1	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1768, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 113	PRO	HG2	114	TRP	H	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1750,1760, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 112	LYS	QB	114	TRP	H	4.43	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1760, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1728,1729,
 &end
#
# 112	LYS	QG	114	TRP	H	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1760, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1731,1732,
 &end
#
# 31	LEU	HA	105	LYS	H	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1608, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 105	LYS	H	105	LYS	HB2	3.57	
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1612, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 105	LYS	H	105	LYS	HB3	3.57	
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1613, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 32	PHE	QE	105	LYS	H	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 456, 460,
 &end
#
# 31	LEU	H	105	LYS	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,1608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30	ASN	HA	31	LEU	H	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 31	LEU	H	31	LEU	HB2	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 31	LEU	H	31	LEU	HG	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 31	LEU	H	31	LEU	QD1	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 436, 437, 438,
 &end
#
# 31	LEU	H	33	ILE	QD1	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 479, 480, 481,
 &end
#
# 31	LEU	H	75	VAL	QG1	5.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1149,1150,1151,
 &end
#
# 112	LYS	H	112	LYS	QB	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1728,1729,
 &end
#
# 112	LYS	H	112	LYS	QG	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1731,1732,
 &end
#
# 34	TYR	HB2	101	LYS	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 489,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100	LEU	H	101	LYS	H	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1534, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 34	TYR	QD	101	LYS	H	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 493, 502,
 &end
#
# 33	ILE	HA	101	LYS	H	5.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 468,1534, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 34	TYR	HA	101	LYS	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101	LYS	H	102	VAL	H	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1556, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 100	LEU	HA	101	LYS	H	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1534, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 35	HIP	HB2	101	LYS	H	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 510,1534, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 35	HIP	HB3	101	LYS	H	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 511,1534, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 101	LYS	H	102	VAL	QG2	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1566,1567,1568,
 &end
#
# 107	SER	H	108	LYS	H	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=1654,1665, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 108	LYS	H	109	ASN	H	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1687, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 107	SER	HA	108	LYS	H	2.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1656,1665, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 108	LYS	H	108	LYS	QG	3.85	
 &rst
  ixpk= 0, nxpk= 0, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1672,1673,
 &end
#
# 108	LYS	HA	112	LYS	H	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat=1667,1724, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 100	LEU	HG	101	LYS	H	5.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1534, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 93	PHE	H	99	ARG	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93	PHE	H	100	LEU	HB3	4.69	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1520, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 93	PHE	HB3	100	LEU	H	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,1515, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 93	PHE	H	100	LEU	H	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1515, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 100	LEU	H	100	LEU	HB3	3.68	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1520, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 100	LEU	H	100	LEU	HB2	3.68	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1519, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 97	MET	H	97	MET	HG2	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1459, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 92	GLY	H	93	PHE	H	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1389, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 93	PHE	H	93	PHE	QD	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1397,1405,
 &end
#
# 91	ASN	HA	93	PHE	H	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1389, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 93	PHE	H	93	PHE	HB2	3.18	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1393, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 93	PHE	H	93	PHE	HB3	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1394, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 93	PHE	H	100	LEU	HG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93	PHE	H	100	LEU	HB2	4.69	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1519, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 43	GLN	HA	46	LEU	H	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 676, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 46	LEU	H	58	ALA	QB	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 871, 872, 873,
 &end
#
# 35	HIP	HB2	100	LEU	H	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 510,1515, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 35	HIP	HB3	100	LEU	H	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 511,1515, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 32	PHE	H	103	GLN	H	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 446,1572, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 103	GLN	H	103	GLN	HG3	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1572,1580, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 90	MET	QE	93	PHE	H	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1362,1363,1364,
 &end
#
# 46	LEU	H	46	LEU	HB3	3.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 46	LEU	H	46	LEU	HB2	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 46	LEU	H	75	VAL	QG2	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1153,1154,1155,
 &end
#
# 34	TYR	QD	103	GLN	H	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 493, 502,
 &end
#
# 32	PHE	QB	103	GLN	H	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 450, 451,
 &end
#
# 103	GLN	H	103	GLN	QB	3.66	
 &rst
  ixpk= 0, nxpk= 0, iat=1572,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1576,1577,
 &end
#
# 103	GLN	H	103	GLN	HG2	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1572,1579, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 87	ILE	QD1	103	GLN	H	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1318,1319,1320,
 &end
#
# 102	VAL	H	103	GLN	H	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1572, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 33	ILE	QD1	103	GLN	H	5.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 479, 480, 481,
 &end
#
# 59	LYS	HD3	60	VAL	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 899, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 59	LYS	HA	60	VAL	H	3.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 899, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 42	ASP	HA	60	VAL	H	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 899, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 60	VAL	H	60	VAL	HB	3.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 903, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 45	ILE	QG2	60	VAL	H	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 663, 664, 665,
 &end
#
# 22	GLN	H	23	LYS	H	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 323, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 22	GLN	HA	23	LYS	H	2.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 323, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
# 23	LYS	H	57	SER	HB3	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 861, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 22	GLN	QB	23	LYS	H	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 310, 311,
 &end
#
# 85	ALA	H	87	ILE	H	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1305, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 59	LYS	QB	60	VAL	H	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 881, 882,
 &end
#
# 83	ALA	H	85	ALA	H	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1285, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 81	VAL	HA	85	ALA	H	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1285, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 84	GLN	QG	85	ALA	H	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1275,1276,
 &end
#
# 84	GLN	QB	85	ALA	H	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1272,1273,
 &end
#
# 15	VAL	H	16	PRO	HD2	5.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 217, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 14	LEU	HG	15	VAL	H	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 200, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 31	LEU	H	75	VAL	H	4.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,1143, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 74	PHE	H	75	VAL	H	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1143, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 74	PHE	QD	75	VAL	H	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1131,1139,
 &end
#
# 74	PHE	HA	75	VAL	H	3.05	
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1143, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 75	VAL	H	75	VAL	HB	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 33	ILE	QD1	75	VAL	H	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 479, 480, 481,
 &end
#
# 34	TYR	H	73	GLY	H	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1116, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 34	TYR	H	103	GLN	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34	TYR	H	35	HIP	H	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 506, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 33	ILE	H	34	TYR	H	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 34	TYR	H	101	LYS	H	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1534, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 33	ILE	HA	34	TYR	H	3.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 34	TYR	H	100	LEU	HA	4.61	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1517, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 34	TYR	H	34	TYR	HB2	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 34	TYR	H	34	TYR	HB3	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 33	ILE	HB	34	TYR	H	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 33	ILE	QD1	34	TYR	H	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 479, 480, 481,
 &end
#
# 34	TYR	H	101	LYS	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34	TYR	H	72	PHE	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1104,1112,
 &end
#
# 103	GLN	H	104	LEU	H	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1572,1589, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 104	LEU	H	105	LYS	H	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1608, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 103	GLN	QB	104	LEU	H	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1576,1577,
 &end
#
# 103	GLN	HG2	104	LEU	H	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1589, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 103	GLN	HG3	104	LEU	H	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1589, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 104	LEU	H	104	LEU	HB2	3.55	
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1593, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 87	ILE	QG2	104	LEU	H	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1311,1312,1313,
 &end
#
# 104	LEU	H	104	LEU	HG	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 61	PHE	HB2	62	ILE	H	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 935, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 61	PHE	QD	62	ILE	H	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 923, 931,
 &end
#
# 61	PHE	HA	62	ILE	H	2.97	
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 935, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 61	PHE	HB3	62	ILE	H	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 62	ILE	H	62	ILE	HB	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 62	ILE	H	70	LYS	QG	5.33	
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1070,1071,
 &end
#
# 62	ILE	H	62	ILE	HG12	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 945, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 17	ARG	H	17	ARG	QD	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 240, 241,
 &end
#
# 22	GLN	H	22	GLN	QB	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 310, 311,
 &end
#
# 15	VAL	QQG	17	ARG	H	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 206, 207, 208, 210, 211, 212,
 &end
#
# 22	GLN	H	22	GLN	HG3	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 314, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 32	PHE	HA	33	ILE	H	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 466, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 32	PHE	QB	33	ILE	H	3.92	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 450, 451,
 &end
#
# 33	ILE	H	33	ILE	HG13	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 86	ALA	H	89	ALA	QB	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1345,1346,1347,
 &end
#
# 77	TYR	QE	86	ALA	H	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1180,1185,
 &end
#
# 83	ALA	H	86	ALA	H	5.26	
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1295, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 83	ALA	HA	86	ALA	H	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1295, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 52	PHE	HB3	86	ALA	H	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 785,1295, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 86	ALA	H	87	ILE	HA	5.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1307, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 52	PHE	HB2	86	ALA	H	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat= 784,1295, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 86	ALA	H	87	ILE	HG13	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1316, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 41	GLY	H	42	ASP	H	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 42	ASP	H	60	VAL	H	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 899, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 42	ASP	H	45	ILE	H	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 42	ASP	H	44	ASP	H	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 645, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 41	GLY	HA3	42	ASP	H	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 41	GLY	HA2	42	ASP	H	2.98	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 42	ASP	H	42	ASP	HB3	3.64	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 42	ASP	H	42	ASP	HB2	3.64	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 42	ASP	H	60	VAL	HB	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 903, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 42	ASP	H	44	ASP	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42	ASP	H	45	ILE	QG2	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 663, 664, 665,
 &end
#
# 86	ALA	H	87	ILE	H	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1305, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 40	PHE	H	41	GLY	H	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 609, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 39	GLU	H	40	PHE	H	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 589, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 40	PHE	H	40	PHE	QE	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 599, 603,
 &end
#
# 38	GLN	HA	40	PHE	H	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 589, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 40	PHE	H	40	PHE	HB2	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 593, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 40	PHE	H	40	PHE	HB3	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 594, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 39	GLU	QG	40	PHE	H	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 581, 582,
 &end
#
# 37	PRO	QB	40	PHE	H	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 550, 551,
 &end
#
# 24	GLU	H	25	GLY	H	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 24	GLU	H	56	ILE	QG2	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 843, 844, 845,
 &end
#
# 14	LEU	H	14	LEU	QD1	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 190, 191, 192,
 &end
#
# 14	LEU	H	14	LEU	QD2	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 194, 195, 196,
 &end
#
# 59	LYS	H	75	VAL	HA	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 877,1145, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 59	LYS	H	75	VAL	QG2	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1153,1154,1155,
 &end
#
# 59	LYS	H	60	VAL	H	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 899, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 58	ALA	H	59	LYS	H	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 877, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 59	LYS	H	74	PHE	QD	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1131,1139,
 &end
#
# 59	LYS	H	59	LYS	QB	3.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 881, 882,
 &end
#
# 58	ALA	QB	59	LYS	H	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 871, 872, 873,
 &end
#
# 45	ILE	QG2	59	LYS	H	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 663, 664, 665,
 &end
#
# 45	ILE	QD1	59	LYS	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 670, 671, 672,
 &end
#
# 31	LEU	H	77	TYR	H	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,1170, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 25	GLY	H	77	TYR	H	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1170, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 77	TYR	H	77	TYR	QD	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1178,1187,
 &end
#
# 76	SER	HA	77	TYR	H	3.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1170, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 76	SER	HB3	77	TYR	H	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 76	SER	HB2	77	TYR	H	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 77	TYR	H	77	TYR	HB3	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1175, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 29	ALA	QB	77	TYR	H	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 407, 408, 409,
 &end
#
# 31	LEU	QD1	77	TYR	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 436, 437, 438,
 &end
#
# 31	LEU	QD2	77	TYR	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 440, 441, 442,
 &end
#
# 56	ILE	QD1	77	TYR	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 850, 851, 852,
 &end
#
# 75	VAL	QG1	77	TYR	H	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1149,1150,1151,
 &end
#
# 77	TYR	H	77	TYR	QE	5.43	
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1180,1185,
 &end
#
# 24	GLU	H	24	GLU	HB2	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 349, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 23	LYS	HA	24	GLU	H	2.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 24	GLU	H	24	GLU	HG2	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 24	GLU	H	24	GLU	HB3	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 350, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 24	GLU	H	56	ILE	QD1	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 850, 851, 852,
 &end
#
# 79	ASN	HD22	81	VAL	H	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1231, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 21	MET	H	21	MET	HG3	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 79	ASN	HD21	81	VAL	H	3.73	
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1231, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 80	PRO	HD2	81	VAL	H	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1231, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 79	ASN	HB2	81	VAL	H	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1231, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 81	VAL	H	81	VAL	HB	2.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1235, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 81	VAL	H	82	SER	H	2.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1247, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 79	ASN	HA	81	VAL	H	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1231, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 109	ASN	HB2	110	ASP	H	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1691,1701, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 108	LYS	HB2	110	ASP	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1669,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 108	LYS	HB3	110	ASP	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1670,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 83	ALA	H	84	GLN	QB	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1272,1273,
 &end
#
# 32	PHE	H	105	LYS	H	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 446,1608, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 76	SER	H	77	TYR	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1170, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 75	VAL	H	76	SER	H	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1159, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 81	VAL	H	83	ALA	H	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1258, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 77	TYR	QE	83	ALA	H	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1180,1185,
 &end
#
# 80	PRO	HA	83	ALA	H	3.96	
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1258, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 82	SER	HB3	83	ALA	H	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 77	TYR	HB3	83	ALA	H	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1258, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 29	ALA	QB	83	ALA	H	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 407, 408, 409,
 &end
#
# 31	LEU	QD1	83	ALA	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 436, 437, 438,
 &end
#
# 31	LEU	QD2	83	ALA	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 440, 441, 442,
 &end
#
# 79	ASN	H	83	ALA	H	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1258, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 31	LEU	HA	32	PHE	H	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 32	PHE	H	104	LEU	HA	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 446,1591, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 32	PHE	H	32	PHE	QB	3.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 450, 451,
 &end
#
# 31	LEU	HB3	32	PHE	H	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 32	PHE	H	33	ILE	QD1	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 479, 480, 481,
 &end
#
# 58	ALA	HA	76	SER	H	4.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 869,1159, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 75	VAL	HA	76	SER	H	3.11	
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1159, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 29	ALA	H	30	ASN	H	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 413, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 29	ALA	H	30	ASN	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 98	LYS	HA	99	ARG	H	2.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1471,1491, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 98	LYS	QB	99	ARG	H	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1473,1474,
 &end
#
# 99	ARG	H	99	ARG	HB3	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1496, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 99	ARG	H	99	ARG	HB2	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1495, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 99	ARG	H	100	LEU	H	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1515, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 97	MET	H	98	LYS	H	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1469, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 98	LYS	H	99	ARG	H	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1469,1491, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 94	GLN	HA	98	LYS	H	5.17	
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1469, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 97	MET	HA	98	LYS	H	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1454,1469, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 96	GLY	HA2	98	LYS	H	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1469, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 98	LYS	H	98	LYS	QB	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1473,1474,
 &end
#
# 98	LYS	H	98	LYS	HG3	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat=1469,1477, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 29	ALA	H	80	PRO	HA	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 403,1227, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 27	GLU	HA	29	ALA	H	3.74	
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 403, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 29	ALA	H	83	ALA	QB	5.33	
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1262,1263,1264,
 &end
#
# 29	ALA	H	104	LEU	QQD	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 109	ASN	H	110	ASP	H	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1701, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 108	LYS	QG	109	ASN	H	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1672,1673,
 &end
#
# 26	PRO	HG2	27	GLU	H	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 381, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 26	PRO	HA	27	GLU	H	2.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 26	PRO	HB3	27	GLU	H	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 381, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 27	GLU	H	27	GLU	HB3	3.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 26	PRO	HB2	27	GLU	H	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 381, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 106	ARG	H	107	SER	H	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1654, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 106	ARG	HA	107	SER	H	2.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1632,1654, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 106	ARG	QD	107	SER	H	5.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1640,1641,
 &end
#
# 106	ARG	QG	107	SER	H	4.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1637,1638,
 &end
#
# 91	ASN	H	102	VAL	H	5.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1556, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 49	PHE	HZ	91	ASN	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91	ASN	H	92	GLY	H	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1382, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 90	MET	H	91	ASN	H	3.03	
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1368, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 89	ALA	H	91	ASN	H	3.97	
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1368, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 88	GLN	HA	91	ASN	H	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1368, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 87	ILE	HA	91	ASN	H	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1368, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 91	ASN	H	91	ASN	HB3	3.17	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1373, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 91	ASN	H	91	ASN	HB2	3.13	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1372, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 90	MET	HB2	91	ASN	H	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1368, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 90	MET	HB3	91	ASN	H	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1368, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 91	ASN	H	102	VAL	HB	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1560, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 89	ALA	QB	91	ASN	H	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1345,1346,1347,
 &end
#
# 91	ASN	H	102	VAL	QG1	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1562,1563,1564,
 &end
#
# 60	VAL	H	74	PHE	H	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 899,1123, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 45	ILE	QG2	74	PHE	H	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 663, 664, 665,
 &end
#
# 60	VAL	QG2	74	PHE	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 909, 910, 911,
 &end
#
# 60	VAL	QG1	74	PHE	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 905, 906, 907,
 &end
#
# 73	GLY	H	74	PHE	H	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1123, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 58	ALA	HA	74	PHE	H	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 869,1123, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 60	VAL	HA	74	PHE	H	4.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1123, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 73	GLY	HA3	74	PHE	H	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 59	LYS	QB	74	PHE	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 881, 882,
 &end
#
# 33	ILE	QD1	74	PHE	H	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 479, 480, 481,
 &end
#
# 85	ALA	HA	87	ILE	H	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1305, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 84	GLN	HA	87	ILE	H	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1305, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 87	ILE	H	87	ILE	HB	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1309, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 87	ILE	H	87	ILE	HG13	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1316, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 85	ALA	QB	87	ILE	H	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1289,1290,1291,
 &end
#
# 87	ILE	H	102	VAL	QG1	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1562,1563,1564,
 &end
#
# 31	LEU	QD2	87	ILE	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 440, 441, 442,
 &end
#
# 87	ILE	H	87	ILE	HG12	3.41	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1315, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 92	GLY	H	101	LYS	H	5.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1534, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 92	GLY	H	101	LYS	HA	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1536, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 91	ASN	HB2	92	GLY	H	4.64	
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1382, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 92	GLY	H	93	PHE	HB3	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1394, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 92	GLY	H	102	VAL	HB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 92	GLY	H	102	VAL	QG2	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1566,1567,1568,
 &end
#
# 91	ASN	HA	92	GLY	H	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1382, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 91	ASN	HB3	92	GLY	H	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat=1373,1382, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 30	ASN	H	30	ASN	HD22	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 422, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 28	GLY	H	30	ASN	HD22	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 422, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 30	ASN	H	30	ASN	HD21	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 423, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 30	ASN	HA	30	ASN	HD21	5.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 423, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 82	SER	H	83	ALA	H	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 79	ASN	HA	82	SER	H	5.36	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1247, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 80	PRO	HA	82	SER	H	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1247, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 82	SER	H	82	SER	HB3	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 79	ASN	HB2	82	SER	H	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1247, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 81	VAL	HB	82	SER	H	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1247, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 82	SER	H	83	ALA	QB	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1262,1263,1264,
 &end
#
# 63	ASP	H	68	LEU	H	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 954,1033, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 95	ILE	HA	96	GLY	H	2.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1445, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 95	ILE	HG12	96	GLY	H	4.12	
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1445, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 95	ILE	HG13	96	GLY	H	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1445, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 95	ILE	QG2	96	GLY	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1432,1433,1434,
 &end
#
# 67	ASN	HA	68	LEU	H	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 67	ASN	HB2	68	LEU	H	4.75	
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1033, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 68	LEU	H	68	LEU	HB3	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1038, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 68	LEU	H	68	LEU	HG	3.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1040, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 68	LEU	H	68	LEU	HB2	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1037, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 66	THR	QG2	68	LEU	H	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1011,1012,1013,
 &end
#
# 68	LEU	H	68	LEU	QD2	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1046,1047,1048,
 &end
#
# 62	ILE	QG2	68	LEU	H	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 941, 942, 943,
 &end
#
# 67	ASN	HB3	68	LEU	H	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1033, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 41	GLY	H	44	ASP	H	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 645, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 44	ASP	H	46	LEU	H	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 676, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 44	ASP	H	45	ILE	H	3.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 657, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 44	ASP	H	44	ASP	HB3	3.66	
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 54	ASN	H	78	ASP	H	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,1191, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 53	GLY	HA2	54	ASN	H	3.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 54	ASN	H	54	ASN	QB	2.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 811, 812,
 &end
#
# 54	ASN	H	55	VAL	H	4.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 821, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 54	ASN	H	79	ASN	HD22	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,1212, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 53	GLY	HA3	54	ASN	H	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 807, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 41	GLY	HA3	44	ASP	H	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 645, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 89	ALA	H	90	MET	H	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1351, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 87	ILE	H	89	ALA	H	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1341, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 87	ILE	HA	89	ALA	H	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1341, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 86	ALA	HA	89	ALA	H	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88	GLN	QB	89	ALA	H	3.36	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1328,1329,
 &end
#
# 65	GLN	H	67	ASN	H	3.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1019, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 65	GLN	H	66	THR	H	2.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1005, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 65	GLN	H	65	GLN	HE21	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1001, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 63	ASP	HA	65	GLN	H	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 988, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 65	GLN	H	65	GLN	HG2	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 995, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 65	GLN	H	65	GLN	HB2	2.89	
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 992, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 64	LYS	QG	65	GLN	H	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 973, 974,
 &end
#
# 65	GLN	H	66	THR	QG2	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1011,1012,1013,
 &end
#
# 67	ASN	H	68	LEU	H	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1033, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 67	ASN	H	67	ASN	HA	2.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1021, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 64	LYS	HA	67	ASN	H	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 968,1019, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 63	ASP	HB3	67	ASN	H	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat= 959,1019, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 67	ASN	H	67	ASN	HB3	4.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1024, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 67	ASN	H	67	ASN	HB2	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1023, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 63	ASP	HB2	67	ASN	H	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat= 958,1019, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 65	GLN	HB2	67	ASN	H	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1019, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 88	GLN	H	91	ASN	HB3	5.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1373, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 43	GLN	H	45	ILE	H	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 657, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 45	ILE	H	46	LEU	H	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 676, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 40	PHE	HB3	45	ILE	H	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 657, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 44	ASP	HB2	45	ILE	H	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 657, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 45	ILE	H	46	LEU	HB3	5.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 45	ILE	H	60	VAL	HB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45	ILE	H	45	ILE	HB	3.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 661, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 44	ASP	HB3	45	ILE	H	3.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 45	ILE	H	75	VAL	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
# 88	GLN	H	90	MET	H	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1351, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 87	ILE	H	88	GLN	H	3.19	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1324, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 88	GLN	H	89	ALA	H	3.11	
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1341, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 87	ILE	HB	88	GLN	H	3.07	
 &rst
  ixpk= 0, nxpk= 0, iat=1309,1324, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 87	ILE	QG2	88	GLN	H	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1311,1312,1313,
 &end
#
# 87	ILE	QD1	88	GLN	H	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1318,1319,1320,
 &end
#
# 87	ILE	HG12	88	GLN	H	4.75	
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1324, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 42	ASP	H	43	GLN	H	3.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 43	GLN	H	44	ASP	H	3.01	
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 645, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 41	GLY	HA3	43	GLN	H	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 628, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 42	ASP	HB2	43	GLN	H	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 628, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 43	GLN	H	43	GLN	HB3	3.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 43	GLN	H	45	ILE	QG2	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 663, 664, 665,
 &end
#
# 43	GLN	H	60	VAL	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 83	ALA	H	84	GLN	H	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1268, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 81	VAL	HA	84	GLN	H	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1268, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 84	GLN	H	84	GLN	QB	2.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1272,1273,
 &end
#
# 108	LYS	HA	111	SER	H	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1667,1713, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 111	SER	H	111	SER	QB	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1713,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1717,1718,
 &end
#
# 48	MET	H	49	PHE	QD	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 737, 745,
 &end
#
# 47	GLN	H	49	PHE	H	4.36	
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 729, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 47	GLN	H	48	MET	H	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 712, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 44	ASP	H	47	GLN	H	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 695, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 44	ASP	HA	47	GLN	H	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 695, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 47	GLN	H	47	GLN	QG	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 702, 703,
 &end
#
# 47	GLN	H	47	GLN	QB	2.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
 igr2= 699, 700,
 &end
#
# 46	LEU	HB3	47	GLN	H	3.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 695, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 46	LEU	HB2	47	GLN	H	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 695, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 46	LEU	HG	47	GLN	H	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 47	GLN	H	58	ALA	QB	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 871, 872, 873,
 &end
#
# 45	ILE	HA	48	MET	H	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 712, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 48	MET	H	48	MET	HB3	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 717, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 47	GLN	H	50	MET	H	5.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 749, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 68	LEU	HB3	69	SER	H	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1052, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 69	SER	H	70	LYS	H	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1063, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 30	ASN	H	31	LEU	H	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 427, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 30	ASN	H	30	ASN	HB3	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 30	ASN	H	30	ASN	HB2	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 68	LEU	HG	69	SER	H	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1052, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 69	SER	H	69	SER	HB3	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1057, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 69	SER	H	69	SER	HB2	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1056, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 68	LEU	HB2	69	SER	H	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1052, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 62	ILE	QD1	69	SER	H	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 948, 949, 950,
 &end
#
# 54	ASN	H	79	ASN	HD21	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,1213, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 79	ASN	HD21	82	SER	H	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 79	ASN	HD21	80	PRO	HD2	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1218, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 79	ASN	HB2	79	ASN	HD21	3.26	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1213, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 79	ASN	HA	79	ASN	HD21	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1213, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 79	ASN	HD21	81	VAL	HB	4.97	
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1235, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 79	ASN	HD22	82	SER	H	3.61	
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1247, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 79	ASN	HA	79	ASN	HD22	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 79	ASN	HD22	81	VAL	QG1	5.37	
 &rst
  ixpk= 0, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1237,1238,1239,
 &end
#
# 91	ASN	HD21	92	GLY	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91	ASN	HD21	102	VAL	H	5.36	
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1556, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 91	ASN	HA	91	ASN	HD21	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1378, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 91	ASN	H	91	ASN	HD21	4.84	
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1378, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 91	ASN	HB3	91	ASN	HD21	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1373,1378, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 91	ASN	HD21	102	VAL	HB	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1560, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 91	ASN	HD22	102	VAL	H	5.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1377,1556, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 91	ASN	HB3	91	ASN	HD22	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat=1373,1377, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 91	ASN	HB2	91	ASN	HD22	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1377, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 87	ILE	QG2	91	ASN	HD22	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1311,1312,1313,
 &end
#
# 39	GLU	H	40	PHE	HB2	5.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 39	GLU	H	39	GLU	QG	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 581, 582,
 &end
#
# 39	GLU	H	39	GLU	QB	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 578, 579,
 &end
#
# 37	PRO	QB	39	GLU	H	4.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 550, 551,
 &end
#
# 70	LYS	H	72	PHE	H	5.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1096, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 72	PHE	H	73	GLY	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61	PHE	H	72	PHE	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 915,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77	TYR	H	79	ASN	H	4.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1203, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 78	ASP	H	79	ASN	H	3.15	
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1203, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 77	TYR	QD	79	ASN	H	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1178,1187,
 &end
#
# 77	TYR	HA	79	ASN	H	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1172,1203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 25	GLY	HA3	79	ASN	H	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 363,1203, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 79	ASN	H	80	PRO	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79	ASN	H	80	PRO	HD2	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1218, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 77	TYR	HB2	79	ASN	H	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1203, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 77	TYR	HB3	79	ASN	H	3.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1203, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 56	ILE	QD1	79	ASN	H	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 850, 851, 852,
 &end
#
# 54	ASN	H	79	ASN	H	5.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,1203, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 54	ASN	HD22	56	ILE	QD1	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 850, 851, 852,
 &end
#
# 54	ASN	H	54	ASN	HD21	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 817, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 54	ASN	QB	54	ASN	HD21	2.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 811, 812,
 &end
#
# 54	ASN	HD21	56	ILE	QD1	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 850, 851, 852,
 &end
#
# 56	ILE	H	57	SER	H	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 856, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 57	SER	H	76	SER	H	3.51	
 &rst
  ixpk= 0, nxpk= 0, iat= 856,1159, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 57	SER	H	58	ALA	H	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 867, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 57	SER	H	77	TYR	HA	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat= 856,1172, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 55	VAL	HB	57	SER	H	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 856, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 56	ILE	HB	57	SER	H	3.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 856, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 57	SER	H	58	ALA	QB	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 871, 872, 873,
 &end
#
# 56	ILE	QG2	57	SER	H	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 843, 844, 845,
 &end
#
# 57	SER	H	75	VAL	QG1	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1149,1150,1151,
 &end
#
# 54	ASN	QB	54	ASN	HD22	3.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 811, 812,
 &end
#
# 54	ASN	HD22	78	ASP	HB3	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 816,1196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 54	ASN	HD22	78	ASP	HB2	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 816,1195, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 36	LEU	H	72	PHE	HA	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 524,1098, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 35	HIP	H	36	LEU	H	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 524, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 34	TYR	HA	36	LEU	H	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 524, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 36	LEU	H	71	CYS	QB	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1089,1090,
 &end
#
# 41	GLY	H	45	ILE	H	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 657, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 40	PHE	QD	41	GLY	H	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 597, 605,
 &end
#
# 40	PHE	HB2	41	GLY	H	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 609, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 40	PHE	HB3	41	GLY	H	4.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 609, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 41	GLY	H	44	ASP	HB2	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 649, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 41	GLY	H	43	GLN	H	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 628, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 41	GLY	H	44	ASP	HB3	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 650, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 78	ASP	H	78	ASP	HB2	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 56	ILE	QD1	78	ASP	H	3.86	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 850, 851, 852,
 &end
#
# 56	ILE	H	78	ASP	H	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,1191, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 77	TYR	H	78	ASP	H	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1191, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 77	TYR	HA	78	ASP	H	3.15	
 &rst
  ixpk= 0, nxpk= 0, iat=1172,1191, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 55	VAL	HA	78	ASP	H	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 823,1191, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 78	ASP	H	78	ASP	HB3	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1196, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 77	TYR	HB3	78	ASP	H	3.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1191, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 56	ILE	HG13	78	ASP	H	3.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 848,1191, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 38	GLN	HE22	69	SER	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 569,1052, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 38	GLN	HE21	68	LEU	QD2	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1046,1047,1048,
 &end
#
# 38	GLN	HE21	69	SER	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 570,1052, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 27	GLU	HB2	28	GLY	H	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 396, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 28	GLY	H	30	ASN	HD21	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 423, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 27	GLU	HB3	28	GLY	H	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 396, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 28	GLY	H	29	ALA	QB	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 407, 408, 409,
 &end
#
# 28	GLY	H	104	LEU	QQD	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 48	MET	H	49	PHE	H	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 729, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 46	LEU	HA	49	PHE	H	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 49	PHE	H	49	PHE	HB3	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 734, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 49	PHE	H	51	PRO	HD2	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 767, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 49	PHE	H	49	PHE	HB2	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 733, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 45	ILE	QG2	49	PHE	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 664, 665,
 &end
#
# 48	MET	HB3	49	PHE	H	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 729, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 49	PHE	H	50	MET	HB2	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 753, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 64	LYS	QB	65	GLN	HE21	5.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 970, 971,
 &end
#
# 64	LYS	QD	65	GLN	HE22	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 976, 977,
 &end
#
# 84	GLN	HA	84	GLN	HE22	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1280, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 84	GLN	QB	84	GLN	HE22	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1272,1273,
 &end
#
# 84	GLN	HE22	104	LEU	HG	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1596, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 84	GLN	HE22	104	LEU	QQD	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 65	GLN	HA	65	GLN	HE21	4.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 990,1001, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 65	GLN	HE21	66	THR	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1011,1012,1013,
 &end
#
# 65	GLN	HA	65	GLN	HE22	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 990,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84	GLN	QG	84	GLN	HE21	3.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1275,1276,
 &end
#
# 84	GLN	HE21	104	LEU	HG	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1596, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 84	GLN	HE21	104	LEU	QQD	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 34	TYR	HB3	35	HIP	H	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 506, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 33	ILE	QG2	35	HIP	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 472, 473, 474,
 &end
#
# 34	TYR	HB2	35	HIP	H	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 506, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 103	GLN	QB	103	GLN	HE22	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1576,1577,
 &end
#
# 103	GLN	QB	103	GLN	HE21	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1576,1577,
 &end
#
# 87	ILE	H	90	MET	H	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1351, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 90	MET	H	91	ASN	HB2	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1372, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 87	ILE	HA	90	MET	H	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1351, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 90	MET	H	102	VAL	QG2	4.15	
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1566,1567,1568,
 &end
#
# 88	GLN	HA	90	MET	H	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1351, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 90	MET	H	91	ASN	HB3	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1373, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 49	PHE	QE	90	MET	H	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 739, 743,
 &end
#
# 49	PHE	HZ	90	MET	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 741,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90	MET	H	90	MET	HB2	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 90	MET	H	90	MET	HB3	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1356, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 13	GLY	H	14	LEU	HA	5.42	
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 183, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 18	GLY	H	19	SER	H	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 261, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 17	ARG	HG2	18	GLY	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17	ARG	HG3	18	GLY	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52	PHE	H	53	GLY	HA3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51	PRO	HD2	52	PHE	H	4.26	
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 780, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 52	PHE	H	52	PHE	HB3	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 785, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 52	PHE	H	52	PHE	HB2	3.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 784, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 51	PRO	HG2	52	PHE	H	4.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 780, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 52	PHE	H	86	ALA	QB	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1299,1300,1301,
 &end
#
# 51	PRO	HB2	52	PHE	H	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 780, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 25	GLY	H	56	ILE	QG2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 843, 844, 845,
 &end
#
# 25	GLY	H	30	ASN	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24	GLU	HA	25	GLY	H	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 360, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 25	GLY	H	76	SER	HB3	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1164, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 25	GLY	H	76	SER	HB2	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,1163, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 24	GLU	HB3	25	GLY	H	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 25	GLY	H	29	ALA	QB	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 407, 408, 409,
 &end
#
# 13	GLY	QA	14	LEU	QB	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 176, 177,
 igr2= 185, 186,
 &end
#
# 13	GLY	QA	14	LEU	QQD	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 176, 177,
 igr2= 190, 191, 192, 194, 195, 196,
 &end
#
# 14	LEU	H	14	LEU	QQD	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 190, 191, 192, 194, 195, 196,
 &end
#
# 14	LEU	HA	14	LEU	QQD	3.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 190, 191, 192, 194, 195, 196,
 &end
#
# 14	LEU	QB	14	LEU	QQD	2.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 185, 186,
 igr2= 190, 191, 192, 194, 195, 196,
 &end
#
# 14	LEU	QB	15	VAL	HA	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 185, 186,
 &end
#
# 15	VAL	H	16	PRO	QD	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 217, 218,
 &end
#
# 15	VAL	QQG	16	PRO	QD	3.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 206, 207, 208, 210, 211, 212,
 igr2= 217, 218,
 &end
#
# 15	VAL	QQG	17	ARG	QG	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 206, 207, 208, 210, 211, 212,
 igr2= 237, 238,
 &end
#
# 17	ARG	QB	17	ARG	QD	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 234, 235,
 igr2= 240, 241,
 &end
#
# 17	ARG	QB	18	GLY	QA	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 234, 235,
 igr2= 256, 257,
 &end
#
# 18	GLY	H	19	SER	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 265, 266,
 &end
#
# 19	SER	QB	20	HIS	QB	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 265, 266,
 igr2= 276, 277,
 &end
#
# 19	SER	QB	21	MET	H	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 265, 266,
 &end
#
# 19	SER	QB	21	MET	QB	4.97	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 265, 266,
 igr2= 293, 294,
 &end
#
# 19	SER	QB	21	MET	QG	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 265, 266,
 igr2= 296, 297,
 &end
#
# 19	SER	QB	21	MET	QE	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 265, 266,
 igr2= 300, 301, 302,
 &end
#
# 20	HIS	H	21	MET	QG	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 296, 297,
 &end
#
# 20	HIS	QB	21	MET	QG	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 276, 277,
 igr2= 296, 297,
 &end
#
# 21	MET	H	21	MET	QG	3.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 296, 297,
 &end
#
# 21	MET	HA	22	GLN	QE2	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 318, 319,
 &end
#
# 21	MET	QB	22	GLN	H	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 293, 294,
 &end
#
# 21	MET	QB	22	GLN	QE2	4.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 293, 294,
 igr2= 318, 319,
 &end
#
# 21	MET	QG	22	GLN	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 296, 297,
 &end
#
# 22	GLN	H	22	GLN	QG	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 313, 314,
 &end
#
# 22	GLN	HA	22	GLN	QG	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 313, 314,
 &end
#
# 22	GLN	HA	22	GLN	QE2	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 318, 319,
 &end
#
# 22	GLN	QG	23	LYS	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 313, 314,
 &end
#
# 23	LYS	H	23	LYS	QB	3.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 327, 328,
 &end
#
# 23	LYS	H	23	LYS	QD	3.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 333, 334,
 &end
#
# 23	LYS	HA	23	LYS	QD	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 333, 334,
 &end
#
# 23	LYS	HA	24	GLU	QG	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 352, 353,
 &end
#
# 23	LYS	QB	24	GLU	H	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 327, 328,
 &end
#
# 23	LYS	QB	56	ILE	QG2	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 327, 328,
 igr2= 843, 844, 845,
 &end
#
# 23	LYS	QB	56	ILE	QD1	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 327, 328,
 igr2= 850, 851, 852,
 &end
#
# 23	LYS	QB	57	SER	HB2	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 327, 328,
 &end
#
# 23	LYS	QD	56	ILE	QG2	5.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 333, 334,
 igr2= 843, 844, 845,
 &end
#
# 23	LYS	QD	57	SER	HB2	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 333, 334,
 &end
#
# 23	LYS	QD	57	SER	HB3	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 333, 334,
 &end
#
# 24	GLU	H	24	GLU	QG	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 352, 353,
 &end
#
# 24	GLU	HA	24	GLU	QG	3.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 352, 353,
 &end
#
# 24	GLU	HA	76	SER	QB	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1163,1164,
 &end
#
# 24	GLU	HB2	30	ASN	QD2	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 422, 423,
 &end
#
# 24	GLU	HB3	30	ASN	QD2	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 422, 423,
 &end
#
# 24	GLU	QG	25	GLY	H	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 352, 353,
 &end
#
# 24	GLU	QG	74	PHE	QE	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 352, 353,
 igr2=1133,1137,
 &end
#
# 24	GLU	QG	74	PHE	HZ	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 352, 353,
 &end
#
# 25	GLY	H	30	ASN	QD2	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 422, 423,
 &end
#
# 25	GLY	H	76	SER	QB	3.58	
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1163,1164,
 &end
#
# 26	PRO	HA	27	GLU	QB	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 385, 386,
 &end
#
# 27	GLU	H	27	GLU	QB	2.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2= 385, 386,
 &end
#
# 27	GLU	HA	27	GLU	QG	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 388, 389,
 &end
#
# 27	GLU	HA	30	ASN	QD2	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 422, 423,
 &end
#
# 27	GLU	QB	28	GLY	H	3.97	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 385, 386,
 &end
#
# 27	GLU	QG	28	GLY	H	3.67	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 388, 389,
 &end
#
# 27	GLU	QG	28	GLY	HA2	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 388, 389,
 &end
#
# 28	GLY	H	30	ASN	QD2	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 422, 423,
 &end
#
# 29	ALA	H	30	ASN	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 417, 418,
 &end
#
# 29	ALA	H	30	ASN	QD2	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 422, 423,
 &end
#
# 29	ALA	HA	30	ASN	QD2	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 422, 423,
 &end
#
# 29	ALA	HA	84	GLN	QE2	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1280,1281,
 &end
#
# 29	ALA	QB	30	ASN	QD2	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 407, 408, 409,
 igr2= 422, 423,
 &end
#
# 30	ASN	H	30	ASN	QB	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 417, 418,
 &end
#
# 30	ASN	H	30	ASN	QD2	4.26	
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 422, 423,
 &end
#
# 30	ASN	H	31	LEU	QQD	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 30	ASN	H	84	GLN	QE2	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1280,1281,
 &end
#
# 30	ASN	H	105	LYS	QB	4.98	
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=1612,1613,
 &end
#
# 30	ASN	HA	30	ASN	QD2	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 422, 423,
 &end
#
# 30	ASN	HA	31	LEU	QQD	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 30	ASN	HA	76	SER	QB	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1163,1164,
 &end
#
# 30	ASN	QB	30	ASN	QD2	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 417, 418,
 igr2= 422, 423,
 &end
#
# 30	ASN	QB	31	LEU	H	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 417, 418,
 &end
#
# 30	ASN	QB	74	PHE	QE	4.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 417, 418,
 igr2=1133,1137,
 &end
#
# 30	ASN	QB	74	PHE	HZ	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 417, 418,
 &end
#
# 30	ASN	QB	76	SER	HA	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 417, 418,
 &end
#
# 30	ASN	QB	105	LYS	H	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 417, 418,
 &end
#
# 30	ASN	QB	105	LYS	QB	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 417, 418,
 igr2=1612,1613,
 &end
#
# 30	ASN	QB	105	LYS	QD	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 417, 418,
 igr2=1618,1619,
 &end
#
# 30	ASN	QD2	105	LYS	QD	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 422, 423,
 igr2=1618,1619,
 &end
#
# 30	ASN	QD2	105	LYS	QE	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 422, 423,
 igr2=1621,1622,
 &end
#
# 31	LEU	H	31	LEU	QQD	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	HA	31	LEU	QQD	3.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	HA	105	LYS	QB	5.26	
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1612,1613,
 &end
#
# 31	LEU	HB3	31	LEU	QQD	3.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	32	PHE	H	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	33	ILE	QD1	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2= 479, 480, 481,
 &end
#
# 31	LEU	QQD	49	PHE	QD	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2= 737, 745,
 &end
#
# 31	LEU	QQD	49	PHE	QE	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2= 739, 743,
 &end
#
# 31	LEU	QQD	75	VAL	HB	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	75	VAL	QG1	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2=1149,1150,1151,
 &end
#
# 31	LEU	QQD	76	SER	HA	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	77	TYR	HB2	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	77	TYR	QE	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2=1180,1185,
 &end
#
# 31	LEU	QQD	83	ALA	H	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	83	ALA	HA	3.26	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	83	ALA	QB	2.81	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2=1262,1263,1264,
 &end
#
# 31	LEU	QQD	86	ALA	H	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	86	ALA	HA	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	86	ALA	QB	2.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2=1299,1300,1301,
 &end
#
# 31	LEU	QQD	87	ILE	H	3.03	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	87	ILE	HA	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	87	ILE	QG2	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2=1311,1312,1313,
 &end
#
# 31	LEU	QQD	87	ILE	HG12	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1315, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	87	ILE	HG13	2.98	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	89	ALA	QB	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2=1345,1346,1347,
 &end
#
# 31	LEU	QQD	102	VAL	QG1	3.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 436, 437, 438, 440, 441, 442,
 igr2=1562,1563,1564,
 &end
#
# 31	LEU	QQD	103	GLN	H	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	104	LEU	H	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	104	LEU	HA	3.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31	LEU	QQD	105	LYS	H	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 32	PHE	QB	101	LYS	QD	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 450, 451,
 igr2=1544,1545,
 &end
#
# 32	PHE	QD	103	GLN	QG	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 454, 462,
 igr2=1579,1580,
 &end
#
# 32	PHE	QD	105	LYS	QB	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 454, 462,
 igr2=1612,1613,
 &end
#
# 33	ILE	H	36	LEU	QQD	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 33	ILE	HA	36	LEU	QQD	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 33	ILE	HB	36	LEU	QQD	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 33	ILE	QG2	36	LEU	QQD	2.49	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 472, 473, 474,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 33	ILE	QD1	36	LEU	QQD	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 479, 480, 481,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 33	ILE	QD1	74	PHE	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 479, 480, 481,
 igr2=1127,1128,
 &end
#
# 34	TYR	H	72	PHE	QB	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1100,1101,
 &end
#
# 34	TYR	H	100	LEU	QQD	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 34	TYR	H	101	LYS	QB	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1538,1539,
 &end
#
# 34	TYR	HA	36	LEU	QQD	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 34	TYR	HA	72	PHE	QB	3.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1100,1101,
 &end
#
# 34	TYR	HB2	72	PHE	QB	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1100,1101,
 &end
#
# 34	TYR	HB2	101	LYS	QB	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1538,1539,
 &end
#
# 34	TYR	HB2	101	LYS	QG	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1541,1542,
 &end
#
# 34	TYR	HB2	101	LYS	QD	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1544,1545,
 &end
#
# 34	TYR	HB3	101	LYS	QD	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1544,1545,
 &end
#
# 34	TYR	QD	72	PHE	QB	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 493, 502,
 igr2=1100,1101,
 &end
#
# 34	TYR	QD	101	LYS	QB	3.48	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 493, 502,
 igr2=1538,1539,
 &end
#
# 34	TYR	QD	101	LYS	QG	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 493, 502,
 igr2=1541,1542,
 &end
#
# 34	TYR	QD	101	LYS	QD	4.61	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 493, 502,
 igr2=1544,1545,
 &end
#
# 34	TYR	QE	72	PHE	QB	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 495, 500,
 igr2=1100,1101,
 &end
#
# 34	TYR	QE	101	LYS	QG	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 495, 500,
 igr2=1541,1542,
 &end
#
# 34	TYR	QE	103	GLN	QG	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 495, 500,
 igr2=1579,1580,
 &end
#
# 35	HIP	H	72	PHE	QB	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1100,1101,
 &end
#
# 35	HIP	H	100	LEU	QQD	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 35	HIP	QB	35	HIP	HD2	3.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 510, 511,
 &end
#
# 35	HIP	QB	98	LYS	QB	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 510, 511,
 igr2=1473,1474,
 &end
#
# 35	HIP	QB	98	LYS	QD	4.26	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 510, 511,
 igr2=1479,1480,
 &end
#
# 35	HIP	QB	99	ARG	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 510, 511,
 &end
#
# 35	HIP	QB	100	LEU	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 510, 511,
 &end
#
# 35	HIP	QB	100	LEU	HA	3.53	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 510, 511,
 &end
#
# 35	HIP	QB	100	LEU	QQD	3.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 510, 511,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 35	HIP	QB	101	LYS	H	3.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 510, 511,
 &end
#
# 35	HIP	HD2	101	LYS	QB	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1538,1539,
 &end
#
# 36	LEU	H	36	LEU	QQD	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	HA	36	LEU	QQD	2.97	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	HA	100	LEU	QQD	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 36	LEU	QB	37	PRO	HD2	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 528, 529,
 &end
#
# 36	LEU	QB	40	PHE	HB2	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 528, 529,
 &end
#
# 36	LEU	QB	40	PHE	HB3	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 528, 529,
 &end
#
# 36	LEU	QB	71	CYS	QB	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 528, 529,
 igr2=1089,1090,
 &end
#
# 36	LEU	QQD	37	PRO	HD2	3.38	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	37	PRO	HD3	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	40	PHE	HB3	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	40	PHE	QD	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 533, 534, 535, 537, 538, 539,
 igr2= 597, 605,
 &end
#
# 36	LEU	QQD	40	PHE	QE	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 533, 534, 535, 537, 538, 539,
 igr2= 599, 603,
 &end
#
# 36	LEU	QQD	71	CYS	QB	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 533, 534, 535, 537, 538, 539,
 igr2=1089,1090,
 &end
#
# 36	LEU	QQD	72	PHE	H	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	72	PHE	HA	3.56	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	73	GLY	H	3.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	73	GLY	HA2	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	73	GLY	HA3	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	90	MET	QE	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 533, 534, 535, 537, 538, 539,
 igr2=1362,1363,1364,
 &end
#
# 36	LEU	QQD	95	ILE	QD1	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 533, 534, 535, 537, 538, 539,
 igr2=1439,1440,1441,
 &end
#
# 36	LEU	QQD	100	LEU	HG	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 36	LEU	QQD	100	LEU	QQD	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 533, 534, 535, 537, 538, 539,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 36	LEU	QQD	101	LYS	H	5.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 533, 534, 535, 537, 538, 539,
 &end
#
# 37	PRO	HA	38	GLN	QB	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 561, 562,
 &end
#
# 37	PRO	HD2	100	LEU	QQD	4.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 37	PRO	HD3	100	LEU	QQD	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 38	GLN	H	38	GLN	QB	3.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 561, 562,
 &end
#
# 38	GLN	H	69	SER	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1056,1057,
 &end
#
# 38	GLN	HA	38	GLN	QE2	5.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 569, 570,
 &end
#
# 38	GLN	HA	69	SER	QB	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1056,1057,
 &end
#
# 38	GLN	QG	39	GLU	H	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 564, 565,
 &end
#
# 38	GLN	QG	69	SER	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 564, 565,
 &end
#
# 38	GLN	QE2	68	LEU	QB	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 569, 570,
 igr2=1037,1038,
 &end
#
# 38	GLN	QE2	68	LEU	QQD	3.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 569, 570,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 38	GLN	QE2	69	SER	H	3.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 569, 570,
 &end
#
# 38	GLN	QE2	69	SER	QB	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 569, 570,
 igr2=1056,1057,
 &end
#
# 40	PHE	QD	60	VAL	QQG	5.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 597, 605,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 40	PHE	QE	48	MET	QB	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 599, 603,
 igr2= 716, 717,
 &end
#
# 40	PHE	QE	48	MET	QG	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 599, 603,
 igr2= 719, 720,
 &end
#
# 41	GLY	H	60	VAL	QQG	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 41	GLY	HA2	60	VAL	QQG	3.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 41	GLY	HA3	42	ASP	QB	5.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 620, 621,
 &end
#
# 41	GLY	HA3	60	VAL	QQG	3.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 42	ASP	H	42	ASP	QB	3.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 620, 621,
 &end
#
# 42	ASP	H	43	GLN	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 632, 633,
 &end
#
# 42	ASP	H	60	VAL	QQG	3.61	
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 42	ASP	HA	60	VAL	QQG	3.18	
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 42	ASP	QB	43	GLN	H	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 620, 621,
 &end
#
# 42	ASP	QB	59	LYS	HA	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 620, 621,
 &end
#
# 42	ASP	QB	60	VAL	H	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 620, 621,
 &end
#
# 43	GLN	H	43	GLN	QB	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2= 632, 633,
 &end
#
# 43	GLN	HA	43	GLN	QE2	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 640, 641,
 &end
#
# 43	GLN	HA	46	LEU	QQD	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
# 43	GLN	QG	46	LEU	QQD	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 635, 636,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
# 43	GLN	QE2	46	LEU	QQD	3.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 640, 641,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
# 45	ILE	H	60	VAL	QQG	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 45	ILE	HA	48	MET	QG	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 719, 720,
 &end
#
# 45	ILE	HB	60	VAL	QQG	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 45	ILE	QG2	60	VAL	QQG	2.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 663, 664, 665,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 46	LEU	H	46	LEU	QQD	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	HA	46	LEU	QQD	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	HB2	46	LEU	QQD	2.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	HB3	46	LEU	QQD	2.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	HG	55	VAL	QQG	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 46	LEU	QQD	47	GLN	H	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	47	GLN	QG	4.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 702, 703,
 &end
#
# 46	LEU	QQD	47	GLN	QE2	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 707, 708,
 &end
#
# 46	LEU	QQD	49	PHE	H	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	49	PHE	HB3	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	50	MET	H	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	50	MET	HA	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	50	MET	HB2	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	50	MET	QG	2.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 756, 757,
 &end
#
# 46	LEU	QQD	50	MET	QE	2.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 760, 761, 762,
 &end
#
# 46	LEU	QQD	55	VAL	H	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	55	VAL	HA	5.09	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	55	VAL	HB	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	55	VAL	QQG	2.36	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 46	LEU	QQD	57	SER	HA	5.39	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	58	ALA	HA	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
# 46	LEU	QQD	58	ALA	QB	2.49	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 871, 872, 873,
 &end
#
# 46	LEU	QQD	75	VAL	QG1	4.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2=1149,1150,1151,
 &end
#
# 47	GLN	H	48	MET	QB	5.03	
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 716, 717,
 &end
#
# 47	GLN	QE2	50	MET	HB2	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 707, 708,
 &end
#
# 48	MET	H	48	MET	QB	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 716, 717,
 &end
#
# 48	MET	HA	48	MET	QG	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 719, 720,
 &end
#
# 48	MET	QB	49	PHE	QD	3.38	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 716, 717,
 igr2= 737, 745,
 &end
#
# 48	MET	QB	49	PHE	QE	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 716, 717,
 igr2= 739, 743,
 &end
#
# 48	MET	QB	50	MET	H	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 716, 717,
 &end
#
# 48	MET	QB	90	MET	QE	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 716, 717,
 igr2=1362,1363,1364,
 &end
#
# 48	MET	QG	48	MET	QE	2.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1= 719, 720,
 igr2= 723, 724, 725,
 &end
#
# 48	MET	QG	49	PHE	QE	4.49	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 719, 720,
 igr2= 739, 743,
 &end
#
# 48	MET	QG	90	MET	QE	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 719, 720,
 igr2=1362,1363,1364,
 &end
#
# 49	PHE	HB2	55	VAL	QQG	4.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 49	PHE	HB3	55	VAL	QQG	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 49	PHE	QE	90	MET	QB	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 739, 743,
 igr2=1355,1356,
 &end
#
# 49	PHE	HZ	90	MET	QB	3.42	
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1355,1356,
 &end
#
# 50	MET	H	55	VAL	QQG	3.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 50	MET	HA	55	VAL	QQG	2.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 50	MET	HB2	55	VAL	QQG	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 50	MET	HB3	55	VAL	QQG	5.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 50	MET	QG	55	VAL	QQG	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 756, 757,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 52	PHE	H	55	VAL	QQG	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 52	PHE	HB3	82	SER	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1251,1252,
 &end
#
# 53	GLY	H	55	VAL	QQG	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 53	GLY	HA2	82	SER	QB	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1251,1252,
 &end
#
# 53	GLY	HA3	82	SER	QB	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1251,1252,
 &end
#
# 54	ASN	H	55	VAL	QQG	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 54	ASN	H	82	SER	QB	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1251,1252,
 &end
#
# 54	ASN	HA	55	VAL	QQG	3.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 54	ASN	QB	78	ASP	QB	3.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 811, 812,
 igr2=1195,1196,
 &end
#
# 54	ASN	HD21	78	ASP	QB	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1195,1196,
 &end
#
# 54	ASN	HD22	78	ASP	QB	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1195,1196,
 &end
#
# 55	VAL	H	55	VAL	QQG	2.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	HA	55	VAL	QQG	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	56	ILE	H	3.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	56	ILE	HA	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	57	SER	H	2.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	57	SER	HA	4.03	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	57	SER	HB2	5.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	57	SER	HB3	4.75	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	58	ALA	H	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	58	ALA	QB	2.66	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 827, 828, 829, 831, 832, 833,
 igr2= 871, 872, 873,
 &end
#
# 55	VAL	QQG	75	VAL	HA	4.43	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	75	VAL	HB	5.26	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	75	VAL	QG1	2.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 827, 828, 829, 831, 832, 833,
 igr2=1149,1150,1151,
 &end
#
# 55	VAL	QQG	76	SER	H	3.66	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	76	SER	QB	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 827, 828, 829, 831, 832, 833,
 igr2=1163,1164,
 &end
#
# 55	VAL	QQG	77	TYR	H	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	77	TYR	HA	3.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 827, 828, 829, 831, 832, 833,
 &end
#
# 55	VAL	QQG	77	TYR	QD	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 827, 828, 829, 831, 832, 833,
 igr2=1178,1187,
 &end
#
# 55	VAL	QQG	77	TYR	QE	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 827, 828, 829, 831, 832, 833,
 igr2=1180,1185,
 &end
#
# 56	ILE	HB	76	SER	QB	4.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1163,1164,
 &end
#
# 56	ILE	QG2	76	SER	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 843, 844, 845,
 igr2=1163,1164,
 &end
#
# 56	ILE	QG2	78	ASP	QB	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 843, 844, 845,
 igr2=1195,1196,
 &end
#
# 56	ILE	HG12	78	ASP	QB	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1195,1196,
 &end
#
# 56	ILE	HG13	76	SER	QB	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1163,1164,
 &end
#
# 56	ILE	HG13	78	ASP	QB	4.59	
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1195,1196,
 &end
#
# 56	ILE	QD1	78	ASP	QB	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 850, 851, 852,
 igr2=1195,1196,
 &end
#
# 57	SER	H	76	SER	QB	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1163,1164,
 &end
#
# 57	SER	HB3	76	SER	QB	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1163,1164,
 &end
#
# 59	LYS	H	60	VAL	QQG	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 59	LYS	HA	59	LYS	QD	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 887, 888,
 &end
#
# 59	LYS	HA	59	LYS	QE	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 890, 891,
 &end
#
# 59	LYS	QB	74	PHE	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 881, 882,
 igr2=1127,1128,
 &end
#
# 59	LYS	QG	60	VAL	H	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 884, 885,
 &end
#
# 59	LYS	QG	61	PHE	QE	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 884, 885,
 igr2= 925, 929,
 &end
#
# 59	LYS	QD	60	VAL	H	3.86	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 887, 888,
 &end
#
# 59	LYS	QD	61	PHE	QD	5.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 887, 888,
 igr2= 923, 931,
 &end
#
# 59	LYS	QD	61	PHE	QE	4.45	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 887, 888,
 igr2= 925, 929,
 &end
#
# 59	LYS	QD	74	PHE	QD	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 887, 888,
 igr2=1131,1139,
 &end
#
# 59	LYS	QE	60	VAL	H	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 890, 891,
 &end
#
# 60	VAL	H	60	VAL	QQG	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	HA	60	VAL	QQG	2.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	HA	61	PHE	QB	5.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 919, 920,
 &end
#
# 60	VAL	QQG	61	PHE	H	3.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	QQG	61	PHE	QD	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 905, 906, 907, 909, 910, 911,
 igr2= 923, 931,
 &end
#
# 60	VAL	QQG	62	ILE	QD1	2.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 905, 906, 907, 909, 910, 911,
 igr2= 948, 949, 950,
 &end
#
# 60	VAL	QQG	69	SER	HA	3.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	QQG	70	LYS	H	4.15	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	QQG	71	CYS	H	5.32	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	QQG	72	PHE	H	3.97	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	QQG	72	PHE	HA	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 905, 906, 907, 909, 910, 911,
 &end
#
# 60	VAL	QQG	73	GLY	HA3	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 905, 906, 907, 909, 910, 911,
 &end
#
# 61	PHE	H	61	PHE	QB	3.53	
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 919, 920,
 &end
#
# 61	PHE	QB	62	ILE	H	3.92	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 919, 920,
 &end
#
# 61	PHE	QB	70	LYS	QB	5.06	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 919, 920,
 igr2=1067,1068,
 &end
#
# 61	PHE	QB	70	LYS	QG	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 919, 920,
 igr2=1070,1071,
 &end
#
# 61	PHE	QB	70	LYS	QD	5.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 919, 920,
 igr2=1073,1074,
 &end
#
# 61	PHE	QB	72	PHE	QE	4.78	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 919, 920,
 igr2=1106,1110,
 &end
#
# 61	PHE	QD	70	LYS	QB	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 923, 931,
 igr2=1067,1068,
 &end
#
# 61	PHE	QE	74	PHE	QB	3.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 925, 929,
 igr2=1127,1128,
 &end
#
# 62	ILE	QG2	63	ASP	QB	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 941, 942, 943,
 igr2= 958, 959,
 &end
#
# 62	ILE	QG2	67	ASN	QD2	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 941, 942, 943,
 igr2=1028,1029,
 &end
#
# 62	ILE	QD1	69	SER	QB	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 948, 949, 950,
 igr2=1056,1057,
 &end
#
# 63	ASP	HA	70	LYS	QD	5.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1073,1074,
 &end
#
# 63	ASP	QB	64	LYS	QE	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 958, 959,
 igr2= 979, 980,
 &end
#
# 63	ASP	QB	65	GLN	H	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 958, 959,
 &end
#
# 63	ASP	QB	66	THR	H	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 958, 959,
 &end
#
# 63	ASP	QB	66	THR	HB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 958, 959,
 &end
#
# 63	ASP	QB	66	THR	QG2	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 958, 959,
 igr2=1011,1012,1013,
 &end
#
# 63	ASP	QB	67	ASN	H	4.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 958, 959,
 &end
#
# 63	ASP	QB	67	ASN	HA	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 958, 959,
 &end
#
# 63	ASP	QB	68	LEU	H	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 958, 959,
 &end
#
# 63	ASP	QB	68	LEU	QB	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 958, 959,
 igr2=1037,1038,
 &end
#
# 63	ASP	QB	70	LYS	QG	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 958, 959,
 igr2=1070,1071,
 &end
#
# 63	ASP	QB	70	LYS	QD	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 958, 959,
 igr2=1073,1074,
 &end
#
# 63	ASP	QB	70	LYS	QE	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 958, 959,
 igr2=1076,1077,
 &end
#
# 64	LYS	QE	65	GLN	QG	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 979, 980,
 igr2= 995, 996,
 &end
#
# 65	GLN	H	65	GLN	QG	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 995, 996,
 &end
#
# 65	GLN	HA	65	GLN	QG	3.13	
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 995, 996,
 &end
#
# 65	GLN	HB2	65	GLN	QG	2.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2= 995, 996,
 &end
#
# 65	GLN	QG	66	THR	H	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 995, 996,
 &end
#
# 65	GLN	QG	66	THR	QG2	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 995, 996,
 igr2=1011,1012,1013,
 &end
#
# 66	THR	HA	68	LEU	QQD	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 66	THR	HB	68	LEU	QB	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1037,1038,
 &end
#
# 66	THR	HB	68	LEU	QQD	3.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 66	THR	QG2	68	LEU	QB	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1011,1012,1013,
 igr2=1037,1038,
 &end
#
# 66	THR	QG2	68	LEU	QQD	3.71	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1011,1012,1013,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 67	ASN	H	68	LEU	QB	4.97	
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1037,1038,
 &end
#
# 67	ASN	H	68	LEU	QQD	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 67	ASN	HA	67	ASN	QD2	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1028,1029,
 &end
#
# 67	ASN	HB2	67	ASN	QD2	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1028,1029,
 &end
#
# 67	ASN	HB2	68	LEU	QQD	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 67	ASN	HB3	67	ASN	QD2	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1028,1029,
 &end
#
# 67	ASN	HB3	68	LEU	QQD	4.69	
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 68	LEU	H	68	LEU	QB	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1037,1038,
 &end
#
# 68	LEU	H	68	LEU	QQD	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 68	LEU	HA	68	LEU	QQD	2.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 68	LEU	QB	68	LEU	QQD	2.62	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1037,1038,
 igr2=1042,1043,1044,1046,1047,1048,
 &end
#
# 68	LEU	QB	69	SER	H	3.59	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1037,1038,
 &end
#
# 68	LEU	QQD	69	SER	H	3.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1042,1043,1044,1046,1047,1048,
 &end
#
# 69	SER	H	69	SER	QB	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1056,1057,
 &end
#
# 69	SER	QB	70	LYS	H	4.23	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1056,1057,
 &end
#
# 70	LYS	H	70	LYS	QB	3.58	
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1067,1068,
 &end
#
# 70	LYS	H	70	LYS	QD	4.89	
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1073,1074,
 &end
#
# 70	LYS	HA	70	LYS	QD	3.78	
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1073,1074,
 &end
#
# 70	LYS	QB	70	LYS	QE	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1067,1068,
 igr2=1076,1077,
 &end
#
# 70	LYS	QB	72	PHE	H	5.01	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1067,1068,
 &end
#
# 70	LYS	QB	72	PHE	QD	3.42	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1067,1068,
 igr2=1104,1112,
 &end
#
# 70	LYS	QD	72	PHE	QE	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1073,1074,
 igr2=1106,1110,
 &end
#
# 72	PHE	QB	73	GLY	H	3.64	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1100,1101,
 &end
#
# 74	PHE	H	74	PHE	QB	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1127,1128,
 &end
#
# 74	PHE	QB	75	VAL	H	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1127,1128,
 &end
#
# 74	PHE	QE	76	SER	QB	4.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1133,1137,
 igr2=1163,1164,
 &end
#
# 74	PHE	HZ	76	SER	QB	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1163,1164,
 &end
#
# 75	VAL	QG1	76	SER	QB	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1149,1150,1151,
 igr2=1163,1164,
 &end
#
# 77	TYR	HA	78	ASP	QB	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1195,1196,
 &end
#
# 77	TYR	HA	82	SER	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1251,1252,
 &end
#
# 77	TYR	HB2	82	SER	QB	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1251,1252,
 &end
#
# 77	TYR	QD	82	SER	QB	3.28	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1178,1187,
 igr2=1251,1252,
 &end
#
# 77	TYR	QE	82	SER	QB	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1180,1185,
 igr2=1251,1252,
 &end
#
# 78	ASP	H	78	ASP	QB	3.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1195,1196,
 &end
#
# 79	ASN	H	82	SER	QB	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1251,1252,
 &end
#
# 79	ASN	HA	81	VAL	QQG	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 79	ASN	HB2	81	VAL	QQG	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 79	ASN	HB3	81	VAL	QQG	4.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 79	ASN	HD21	81	VAL	QQG	4.56	
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 79	ASN	HD22	81	VAL	QQG	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 79	ASN	HD22	82	SER	QB	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1251,1252,
 &end
#
# 80	PRO	HA	84	GLN	QE2	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1280,1281,
 &end
#
# 80	PRO	HG2	81	VAL	QQG	3.95	
 &rst
  ixpk= 0, nxpk= 0, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 80	PRO	HD2	81	VAL	QQG	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 81	VAL	H	81	VAL	QQG	2.54	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 81	VAL	H	82	SER	QB	4.84	
 &rst
  ixpk= 0, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1251,1252,
 &end
#
# 81	VAL	HA	81	VAL	QQG	2.61	
 &rst
  ixpk= 0, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=1237,1238,1239,1241,1242,1243,
 &end
#
# 81	VAL	QQG	82	SER	H	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 81	VAL	QQG	82	SER	HA	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 81	VAL	QQG	82	SER	QB	5.28	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=1237,1238,1239,1241,1242,1243,
 igr2=1251,1252,
 &end
#
# 81	VAL	QQG	83	ALA	H	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1237,1238,1239,1241,1242,1243,
 &end
#
# 81	VAL	QQG	84	GLN	QG	4.96	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1=1237,1238,1239,1241,1242,1243,
 igr2=1275,1276,
 &end
#
# 82	SER	H	82	SER	QB	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1251,1252,
 &end
#
# 82	SER	QB	83	ALA	H	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1251,1252,
 &end
#
# 82	SER	QB	83	ALA	QB	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1251,1252,
 igr2=1262,1263,1264,
 &end
#
# 82	SER	QB	85	ALA	QB	4.51	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1251,1252,
 igr2=1289,1290,1291,
 &end
#
# 83	ALA	QB	84	GLN	QE2	4.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1262,1263,1264,
 igr2=1280,1281,
 &end
#
# 84	GLN	HA	84	GLN	QE2	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1280,1281,
 &end
#
# 84	GLN	QB	84	GLN	QE2	4.05	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1272,1273,
 igr2=1280,1281,
 &end
#
# 84	GLN	QG	84	GLN	QE2	2.98	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1275,1276,
 igr2=1280,1281,
 &end
#
# 84	GLN	QE2	87	ILE	QD1	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1280,1281,
 igr2=1318,1319,1320,
 &end
#
# 84	GLN	QE2	104	LEU	QB	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1280,1281,
 igr2=1593,1594,
 &end
#
# 84	GLN	QE2	104	LEU	HG	3.33	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1=1280,1281,
 &end
#
# 86	ALA	QB	90	MET	QB	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1299,1300,1301,
 igr2=1355,1356,
 &end
#
# 87	ILE	QG2	103	GLN	QG	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1311,1312,1313,
 igr2=1579,1580,
 &end
#
# 88	GLN	QB	88	GLN	QE2	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1328,1329,
 igr2=1336,1337,
 &end
#
# 89	ALA	H	90	MET	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1355,1356,
 &end
#
# 89	ALA	HA	90	MET	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1355,1356,
 &end
#
# 89	ALA	QB	90	MET	QB	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1345,1346,1347,
 igr2=1355,1356,
 &end
#
# 90	MET	H	90	MET	QB	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1355,1356,
 &end
#
# 90	MET	HA	100	LEU	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1519,1520,
 &end
#
# 90	MET	HA	100	LEU	QQD	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 90	MET	QB	90	MET	QE	2.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1=1355,1356,
 igr2=1362,1363,1364,
 &end
#
# 90	MET	QB	91	ASN	H	3.43	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1=1355,1356,
 &end
#
# 90	MET	QB	93	PHE	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1355,1356,
 &end
#
# 90	MET	QB	93	PHE	HB2	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1355,1356,
 &end
#
# 90	MET	QE	100	LEU	QQD	2.38	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1=1362,1363,1364,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 92	GLY	H	99	ARG	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1495,1496,
 &end
#
# 92	GLY	H	100	LEU	QB	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1519,1520,
 &end
#
# 92	GLY	H	101	LYS	QG	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1541,1542,
 &end
#
# 92	GLY	HA2	99	ARG	QB	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1384,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1495,1496,
 &end
#
# 92	GLY	HA2	99	ARG	QD	3.68	
 &rst
  ixpk= 0, nxpk= 0, iat=1384,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1501,1502,
 &end
#
# 92	GLY	HA3	99	ARG	QB	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1495,1496,
 &end
#
# 92	GLY	HA3	99	ARG	QD	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1501,1502,
 &end
#
# 93	PHE	H	100	LEU	QB	3.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1519,1520,
 &end
#
# 93	PHE	H	100	LEU	QQD	3.98	
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 93	PHE	HA	94	GLN	QB	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1413,1414,
 &end
#
# 93	PHE	HB2	100	LEU	QB	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1519,1520,
 &end
#
# 93	PHE	HB2	100	LEU	QQD	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 93	PHE	HB3	100	LEU	QB	4.13	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1519,1520,
 &end
#
# 93	PHE	HB3	100	LEU	QQD	3.40	
 &rst
  ixpk= 0, nxpk= 0, iat=1394,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 93	PHE	QD	100	LEU	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1397,1405,
 igr2=1519,1520,
 &end
#
# 93	PHE	QD	100	LEU	QQD	3.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1397,1405,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 93	PHE	HZ	100	LEU	QQD	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 94	GLN	HA	99	ARG	QB	5.29	
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1495,1496,
 &end
#
# 94	GLN	QB	95	ILE	H	4.18	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1413,1414,
 &end
#
# 94	GLN	QB	99	ARG	HA	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1413,1414,
 &end
#
# 94	GLN	QB	99	ARG	HG2	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1413,1414,
 &end
#
# 94	GLN	QB	99	ARG	QD	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1413,1414,
 igr2=1501,1502,
 &end
#
# 94	GLN	QG	94	GLN	QE2	2.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1416,1417,
 igr2=1421,1422,
 &end
#
# 94	GLN	QE2	95	ILE	H	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1421,1422,
 &end
#
# 94	GLN	QE2	96	GLY	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1421,1422,
 &end
#
# 94	GLN	QE2	97	MET	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1421,1422,
 &end
#
# 94	GLN	QE2	97	MET	HA	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1421,1422,
 &end
#
# 95	ILE	H	96	GLY	QA	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1447,1448,
 &end
#
# 95	ILE	QG2	96	GLY	QA	4.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1432,1433,1434,
 igr2=1447,1448,
 &end
#
# 95	ILE	QD1	100	LEU	QQD	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1439,1440,1441,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 96	GLY	QA	97	MET	HA	4.99	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1447,1448,
 &end
#
# 96	GLY	QA	97	MET	QB	4.95	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1447,1448,
 igr2=1456,1457,
 &end
#
# 96	GLY	QA	97	MET	QG	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1447,1448,
 igr2=1459,1460,
 &end
#
# 96	GLY	QA	97	MET	QE	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1447,1448,
 igr2=1463,1464,1465,
 &end
#
# 96	GLY	QA	98	LYS	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1447,1448,
 &end
#
# 97	MET	H	97	MET	QB	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1456,1457,
 &end
#
# 97	MET	H	97	MET	QG	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1459,1460,
 &end
#
# 97	MET	HA	97	MET	QG	3.33	
 &rst
  ixpk= 0, nxpk= 0, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1459,1460,
 &end
#
# 97	MET	QG	98	LYS	H	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1459,1460,
 &end
#
# 98	LYS	H	98	LYS	QG	4.36	
 &rst
  ixpk= 0, nxpk= 0, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1476,1477,
 &end
#
# 98	LYS	HA	98	LYS	QG	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1471,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1476,1477,
 &end
#
# 98	LYS	QG	99	ARG	H	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=1476,1477,
 &end
#
# 99	ARG	H	99	ARG	QB	3.13	
 &rst
  ixpk= 0, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2=1495,1496,
 &end
#
# 99	ARG	H	99	ARG	QD	4.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1501,1502,
 &end
#
# 99	ARG	HA	99	ARG	QD	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1501,1502,
 &end
#
# 99	ARG	HA	100	LEU	QB	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1519,1520,
 &end
#
# 99	ARG	HA	100	LEU	QQD	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 99	ARG	QB	99	ARG	QD	3.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1495,1496,
 igr2=1501,1502,
 &end
#
# 100	LEU	H	100	LEU	QB	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1519,1520,
 &end
#
# 100	LEU	H	100	LEU	QQD	3.27	
 &rst
  ixpk= 0, nxpk= 0, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 100	LEU	HA	100	LEU	QQD	2.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 100	LEU	QB	100	LEU	QQD	2.74	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1519,1520,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 100	LEU	QB	101	LYS	H	4.33	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1519,1520,
 &end
#
# 100	LEU	QB	102	VAL	QG2	3.33	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1519,1520,
 igr2=1566,1567,1568,
 &end
#
# 100	LEU	QQD	101	LYS	H	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
# 101	LYS	H	101	LYS	QG	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1541,1542,
 &end
#
# 101	LYS	HA	101	LYS	QG	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1541,1542,
 &end
#
# 101	LYS	HA	101	LYS	QD	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1544,1545,
 &end
#
# 101	LYS	QG	101	LYS	QD	2.33	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
 igr1=1541,1542,
 igr2=1544,1545,
 &end
#
# 101	LYS	QG	102	VAL	H	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1541,1542,
 &end
#
# 101	LYS	QD	102	VAL	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1544,1545,
 &end
#
# 102	VAL	QG1	103	GLN	QG	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1562,1563,1564,
 igr2=1579,1580,
 &end
#
# 103	GLN	HA	103	GLN	QG	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1579,1580,
 &end
#
# 103	GLN	HA	103	GLN	QE2	4.24	
 &rst
  ixpk= 0, nxpk= 0, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1584,1585,
 &end
#
# 103	GLN	HA	104	LEU	QB	4.17	
 &rst
  ixpk= 0, nxpk= 0, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1593,1594,
 &end
#
# 103	GLN	QB	103	GLN	QE2	3.05	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1576,1577,
 igr2=1584,1585,
 &end
#
# 103	GLN	QG	104	LEU	H	3.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1579,1580,
 &end
#
# 104	LEU	H	104	LEU	QB	2.77	
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2=1593,1594,
 &end
#
# 104	LEU	QB	104	LEU	HG	2.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=1593,1594,
 &end
#
# 104	LEU	QB	104	LEU	QQD	2.67	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1598,1599,1600,1602,1603,1604,
 &end
#
# 104	LEU	QQD	105	LYS	QB	4.94	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1598,1599,1600,1602,1603,1604,
 igr2=1612,1613,
 &end
#
# 105	LYS	H	105	LYS	QB	3.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1612,1613,
 &end
#
# 105	LYS	QB	105	LYS	QD	3.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1612,1613,
 igr2=1618,1619,
 &end
#
# 105	LYS	QB	105	LYS	QE	4.32	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1612,1613,
 igr2=1621,1622,
 &end
#
# 106	ARG	QB	107	SER	H	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1634,1635,
 &end
#
# 107	SER	H	107	SER	QB	3.45	
 &rst
  ixpk= 0, nxpk= 0, iat=1654,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1658,1659,
 &end
#
# 107	SER	QB	108	LYS	H	3.46	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1658,1659,
 &end
#
# 107	SER	QB	108	LYS	HA	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1658,1659,
 &end
#
# 107	SER	QB	109	ASN	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1658,1659,
 &end
#
# 107	SER	QB	110	ASP	H	4.19	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1658,1659,
 &end
#
# 107	SER	QB	110	ASP	QB	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1658,1659,
 igr2=1705,1706,
 &end
#
# 108	LYS	H	108	LYS	QB	3.45	
 &rst
  ixpk= 0, nxpk= 0, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1669,1670,
 &end
#
# 108	LYS	QB	108	LYS	QD	2.41	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr1=1669,1670,
 igr2=1675,1676,
 &end
#
# 108	LYS	QB	108	LYS	QE	3.98	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1669,1670,
 igr2=1678,1679,
 &end
#
# 108	LYS	QB	109	ASN	H	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1669,1670,
 &end
#
# 109	ASN	H	109	ASN	QB	3.33	
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1691,1692,
 &end
#
# 109	ASN	H	109	ASN	QD2	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1696,1697,
 &end
#
# 109	ASN	QB	110	ASP	H	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1691,1692,
 &end
#
# 110	ASP	QB	111	SER	H	3.52	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1713, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1705,1706,
 &end
#
# 110	ASP	QB	112	LYS	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1705,1706,
 &end
#
# 112	LYS	QB	113	PRO	QB	5.13	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1728,1729,
 igr2=1753,1754,
 &end
#
# 113	PRO	HD2	114	TRP	QB	4.12	
 &rst
  ixpk= 0, nxpk= 0, iat=1747,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1764,1765,
 &end
#
# 115	URA	H2'	115	URA	H5	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1798, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 115	URA	H2'	115	URA	H6	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 115	URA	H4'	115	URA	H6	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1796, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 115	URA	Q5'	115	URA	H6	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1787,1788,
 &end
#
# 115	URA	H2'	116	URA	H6	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1826, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 115	URA	H3'	116	URA	H5	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1828, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 115	URA	H3'	116	URA	H6	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1806,1826, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 116	URA	Q5'	116	URA	H2'	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1817,1818,
 &end
#
# 116	URA	Q5'	116	URA	H3'	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1817,1818,
 &end
#
# 116	URA	Q5'	116	URA	H1'	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1817,1818,
 &end
#
# 116	URA	H2'	116	URA	H5	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1838,1828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 116	URA	H2'	116	URA	H6	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1838,1826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116	URA	H3'	116	URA	H6	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1836,1826, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 116	URA	H4'	116	URA	H6	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1820,1826, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 116	URA	Q5'	116	URA	H6	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1817,1818,
 &end
#
# 117	URA	Q5'	117	URA	H1'	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1847,1848,
 &end
#
# 117	URA	H2'	117	URA	H5	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1868,1858, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117	URA	H2'	117	URA	H6	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1868,1856, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 117	URA	H4'	117	URA	H6	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1850,1856, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 117	URA	H3'	117	URA	H6	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1866,1856, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 117	URA	Q5'	117	URA	H6	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1856, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1847,1848,
 &end
#
# 117	URA	H1'	118	RADE	H8	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1853,1886, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 117	URA	H2'	118	RADE	H8	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1868,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117	URA	H4'	118	RADE	H8	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1850,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117	URA	H3'	118	RADE	H8	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1866,1886, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 118	RADE	H1'	118	RADE	H2	5.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1895, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 118	RADE	H2'	118	RADE	H8	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1901,1886, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 118	RADE	H3'	118	RADE	H8	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1899,1886, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 118	RADE	H4'	118	RADE	H8	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1880,1886, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 118	RADE	Q5'	118	RADE	H1'	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1877,1878,
 &end
#
# 118	RADE	Q5'	118	RADE	H8	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1877,1878,
 &end
#
# 118	RADE	H2	119	RADE	H1'	6.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 118	RADE	H1'	119	RADE	H8	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 118	RADE	H2'	119	RADE	H8	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1901,1919, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 118	RADE	H3'	119	RADE	H8	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1899,1919, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 119	RADE	H1'	119	RADE	H2	5.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1928, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 119	RADE	H2'	119	RADE	H8	3.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1934,1919, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 119	RADE	H3'	119	RADE	H8	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1932,1919, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 119	RADE	H4'	119	RADE	H8	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1913,1919, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 119	RADE	Q5'	119	RADE	H1'	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1910,1911,
 &end
#
# 119	RADE	Q5'	119	RADE	H8	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1910,1911,
 &end
#
# 115	URA	Q5'	115	URA	H2'	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1808, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1787,1788,
 &end
#
# 115	URA	Q5'	115	URA	H1'	6.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1793, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1787,1788,
 &end
#
# 115	URA	H4'	116	URA	H5	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 115	URA	H2'	116	URA	H5	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1808,1828, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115	URA	Q5'	116	URA	H5	5.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1828, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1787,1788,
 &end
#
# 116	URA	H1'	117	URA	H6	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1823,1856, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 118	RADE	H2'	119	RADE	H1'	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1901,1916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 118	RADE	H1'	119	RADE	H2'	6.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 118	RADE	H1'	119	RADE	Q5'	4.70	
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1910,1911,
 &end
#
# 119	RADE	Q5'	119	RADE	H2'	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1910,1911,
 &end
#
# 119	RADE	Q5'	119	RADE	H3'	3.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1932, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1910,1911,
 &end
#
# 34	TYR	QD	116	URA	H5	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 493, 502,
 &end
#
# 101	LYS	QD	116	URA	H5	6.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1828, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1544,1545,
 &end
#
# 106	ARG	QD	117	URA	H5	6.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1640,1641,
 &end
#
# 106	ARG	QG	117	URA	H5	6.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1637,1638,
 &end
#
# 59	LYS	QD	118	RADE	H1'	6.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 887, 888,
 &end
#
# 61	PHE	QE	119	RADE	H1'	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 925, 929,
 &end
#
# 35	HIP	HD2	116	URA	H5	5.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 520,1828, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 72	PHE	QE	116	URA	H1'	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1106,1110,
 &end
#
# 72	PHE	QD	116	URA	Q5'	5.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1104,1112,
 igr2=1817,1818,
 &end
#
# 32	PHE	QE	117	URA	H2'	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 456, 460,
 &end
#
# 32	PHE	QE	117	URA	H4'	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 456, 460,
 &end
#
# 106	ARG	QD	117	URA	H1'	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1640,1641,
 &end
#
# 106	ARG	QG	117	URA	H1'	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1637,1638,
 &end
#
# 59	LYS	QG	118	RADE	H2	5.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 884, 885,
 &end
#
# 59	LYS	QE	118	RADE	H2	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 890, 891,
 &end
#
# 74	PHE	QD	118	RADE	H1'	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1131,1139,
 &end
#
# 61	PHE	QD	118	RADE	H4'	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
# 61	PHE	QE	118	RADE	Q5'	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 925, 929,
 igr2=1877,1878,
 &end
#
# 61	PHE	QE	118	RADE	H4'	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 925, 929,
 &end
#
# 59	LYS	QB	119	RADE	H2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 881, 882,
 &end
#
# 61	PHE	QE	119	RADE	H2'	5.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 925, 929,
 &end
#
# 101	LYS	QE	115	URA	H1'	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1793, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1547,1548,
 &end
#
# 32	PHE	QE	116	URA	H1'	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 456, 460,
 &end
#
# 34	TYR	QE	116	URA	H5	5.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1828, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 495, 500,
 &end
#
# 72	PHE	HZ	116	URA	H4'	4.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1820, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 72	PHE	QD	116	URA	H4'	4.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1820, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1104,1112,
 &end
#
# 72	PHE	QE	116	URA	H4'	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1820, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1106,1110,
 &end
#
# 72	PHE	HZ	116	URA	Q5'	5.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1817,1818,
 &end
#
# 72	PHE	QE	116	URA	Q5'	5.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1106,1110,
 igr2=1817,1818,
 &end
#
# 32	PHE	QD	117	URA	H1'	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 454, 462,
 &end
#
# 32	PHE	QE	117	URA	H5	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 456, 460,
 &end
#
# 32	PHE	QE	117	URA	H1'	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 456, 460,
 &end
#
# 59	LYS	QB	118	RADE	H2	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 881, 882,
 &end
#
# 61	PHE	QE	118	RADE	H1'	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
# 59	LYS	QE	119	RADE	H2	5.70	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1928, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 890, 891,
 &end
#
# 61	PHE	HA	119	RADE	H2	5.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 917,1928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 61	PHE	QE	119	RADE	H4'	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1913, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 925, 929,
 &end
#
# 61	PHE	QD	119	RADE	Q5'	6.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 923, 931,
 igr2=1910,1911,
 &end
#
# 34	TYR	QE	117	URA	H4'	5.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 495, 500,
 &end
#
# 61	PHE	QE	119	RADE	Q5'	6.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 925, 929,
 igr2=1910,1911,
 &end
#
# 61	PHE	QD	119	RADE	H8	6.10	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1919, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 923, 931,
 &end
#
# 74	PHE	QD	118	RADE	H8	6.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1131,1139,
 &end
#
# 98	LYS	QD	115	URA	H5	6.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1798, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1479,1480,
 &end
#
# 98	LYS	QE	115	URA	H1'	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1793, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1482,1483,
 &end
#
# 98	LYS	QE	115	URA	H4'	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1482,1483,
 &end
#
# 101	LYS	QD	115	URA	H1'	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1793, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1544,1545,
 &end
#
# 101	LYS	QE	116	URA	Q5'	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1547,1548,
 igr2=1817,1818,
 &end
#
# 106	ARG	QD	117	URA	H2'	5.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1640,1641,
 &end
#
# 115	URA	H4'	116	URA	H6	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1826, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 116	URA	H2'	117	URA	H6	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1838,1856, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115	URA	H1'	116	URA	Q5'	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1793,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1817,1818,
 &end
#
# 118	RADE	H1'	119	RADE	H4'	6.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 32	PHE	QB	117	URA	H5	5.60	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 450, 451,
 &end
#

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