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
588750 2rv0 11480 cing 1-original 3 AMBER distance NOE simple


#
# 8 ARG HA 8 ARG QD 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2=  79,  80,
 &end
#
# 8 ARG HA 8 ARG QG 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=  76,  77,
 &end
#
# 8 ARG QB 10 TYR QE 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  73,  74,
 igr2= 114, 119,
 &end
#
# 8 ARG QB 8 ARG QD 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=  73,  74,
 igr2=  79,  80,
 &end
#
# 8 ARG QB 8 ARG QG 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=  73,  74,
 igr2=  76,  77,
 &end
#
# 8 ARG QB 9 SER HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=  73,  74,
 &end
#
# 9 SER HA 10 TYR HN 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 104, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 9 SER HA 10 TYR QD 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 112, 121,
 &end
#
# 9 SER QB 10 TYR HN 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=  97,  98,
 &end
#
# 10 TYR HA 10 TYR QD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 112, 121,
 &end
#
# 10 TYR HA 11 SER HN 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 125, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 10 TYR HA 25 ILE QG2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR HB2 11 SER HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 125, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 10 TYR HB2 25 ILE HB 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 10 TYR HB2 25 ILE QD1 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR HB2 25 ILE QG2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR HB3 11 SER HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 10 TYR HB3 25 ILE HB 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 10 TYR HB3 25 ILE QD1 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR HB3 25 ILE QG2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR HN 10 TYR HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 108, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 10 TYR HN 10 TYR HB3 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 109, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 10 TYR HN 10 TYR QB 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 108, 109,
 &end
#
# 10 TYR HN 10 TYR QD 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 112, 121,
 &end
#
# 10 TYR QB 11 SER HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 108, 109,
 &end
#
# 10 TYR QB 19 PHE HB2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 108, 109,
 &end
#
# 10 TYR QB 19 PHE HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 108, 109,
 &end
#
# 10 TYR QB 25 ILE QD1 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 108, 109,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR QB 25 ILE QG1 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 108, 109,
 igr2= 345, 346,
 &end
#
# 10 TYR QB 25 ILE QG2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 108, 109,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR QD 22 ASP HA 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 112, 121,
 &end
#
# 10 TYR QD 25 ILE QG2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 112, 121,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR QE 22 ASP HA 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 114, 119,
 &end
#
# 10 TYR QE 22 ASP QB 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 114, 119,
 igr2= 284, 285,
 &end
#
# 11 SER HA 12 CYM  HB2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 11 SER HA 12 CYM  HB3 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 140, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 11 SER HA 12 CYM  HN 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 136, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 11 SER HA 18 SER HA 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 225, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 11 SER HA 18 SER QB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 227, 228,
 &end
#
# 11 SER HA 19 PHE HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 234, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 11 SER HA 25 ILE QD1 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 348, 349, 350,
 &end
#
# 11 SER HB2 12 CYM  HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 11 SER HB2 16 GLU HA 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 188, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 11 SER HB3 12 CYM  HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 136, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 11 SER HB3 16 GLU HA 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 188, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 11 SER HN 11 SER HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 11 SER HN 11 SER HB3 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 130, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 11 SER HN 11 SER QB 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 129, 130,
 &end
#
# 11 SER HN 25 ILE QD1 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 348, 349, 350,
 &end
#
# 11 SER QB 16 GLU HA 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 129, 130,
 &end
#
# 12 CYM  HA 13 PRO HD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 12 CYM  HA 13 PRO HD3 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 148, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 12 CYM  HA 25 ILE QD1 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HA 29 ILE QD1 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 417, 418, 419,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 176, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 12 CYM  HB2 17 LYS HB2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 205, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 12 CYM  HB2 17 LYS HB3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 206, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 12 CYM  HB2 17 LYS HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 201, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 12 CYM  HB2 19 PHE QE 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 244, 248,
 &end
#
# 12 CYM  HB2 25 ILE QD1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 400, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 176, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 12 CYM  HB3 16 GLU HA 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 188, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 12 CYM  HB3 16 GLU HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 186, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 12 CYM  HB3 17 LYS HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 12 CYM  HB3 17 LYS QB 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 205, 206,
 &end
#
# 12 CYM  HB3 19 PHE QE 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 244, 248,
 &end
#
# 12 CYM  HB3 25 ILE QD1 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 400, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 141, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 140, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 12 CYM  HN 13 PRO QD 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 147, 148,
 &end
#
# 12 CYM  HN 16 GLU HA 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 188, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 12 CYM  HN 17 LYS HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 201, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 12 CYM  HN 18 SER HA 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 225, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 12 CYM  HN 19 PHE QE 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 244, 248,
 &end
#
# 12 CYM  HN 25 ILE QD1 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO HB2 14 VAL QG2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO HD2 25 ILE QD1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO HD2 29 ILE QD1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO HD3 25 ILE QD1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO HD3 29 ILE QD1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO HG2 14 VAL HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 13 PRO HG2 14 VAL QG2 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO HG2 29 ILE QD1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO HG3 14 VAL QG2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO HG3 29 ILE QD1 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO QD 14 VAL HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 147, 148,
 &end
#
# 13 PRO QD 14 VAL QG2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 147, 148,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO QD 25 ILE QD1 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 147, 148,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO QD 29 ILE HG12 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 147, 148,
 &end
#
# 13 PRO QD 29 ILE QD1 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 147, 148,
 igr2= 417, 418, 419,
 &end
#
# 14 VAL HA 14 VAL QG1 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 166, 167, 168,
 &end
#
# 14 VAL HA 14 VAL QG2 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 170, 171, 172,
 &end
#
# 14 VAL HB 15 CYM  HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 176, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 14 VAL HB 33 HIS HD2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14 VAL HB 33 HIS HE1 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 483, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 14 VAL HN 14 VAL HB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 164, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 14 VAL HN 14 VAL QG1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 166, 167, 168,
 &end
#
# 14 VAL HN 14 VAL QG2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 170, 171, 172,
 &end
#
# 14 VAL HN 15 CYM  HN 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 176, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 14 VAL QG1 15 CYM  HA 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 15 CYM  HB3 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 15 CYM  HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 33 HIS HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 33 HIS HE1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG2 15 CYM  HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 170, 171, 172,
 &end
#
# 14 VAL QG2 29 ILE QG2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 170, 171, 172,
 igr2= 410, 411, 412,
 &end
#
# 14 VAL QG2 33 HIS HB2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 170, 171, 172,
 &end
#
# 14 VAL QG2 33 HIS HB3 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 170, 171, 172,
 &end
#
# 14 VAL QG2 33 HIS HD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 170, 171, 172,
 &end
#
# 15 CYM  HB2 16 GLU HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 186, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 15 CYM  HB2 33 HIS HE1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 483, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 15 CYM  HB3 33 HIS HE1 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 483, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 15 CYM  HN 15 CYM  HB3 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 180, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 15 CYM  HN 16 GLU HA 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 188, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 15 CYM  HN 16 GLU HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 186, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 16 GLU HA 16 GLU QG 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 193, 194,
 &end
#
# 16 GLU HN 16 GLU QG 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 193, 194,
 &end
#
# 16 GLU QB 17 LYS HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 190, 191,
 &end
#
# 17 LYS HA 17 LYS QG 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 208, 209,
 &end
#
# 17 LYS HA 18 SER HN 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 223, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 17 LYS HA 18 SER QB 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 227, 228,
 &end
#
# 17 LYS HB2 19 PHE QE 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 244, 248,
 &end
#
# 17 LYS HB3 19 PHE QE 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 244, 248,
 &end
#
# 17 LYS HG2 18 SER HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 223, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 17 LYS HG3 18 SER HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 223, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 17 LYS HN 17 LYS HB2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 205, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 17 LYS HN 17 LYS HB3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 206, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 17 LYS HN 17 LYS HG2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 208, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 17 LYS HN 17 LYS HG3 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 209, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 17 LYS HN 17 LYS QB 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 205, 206,
 &end
#
# 17 LYS HN 17 LYS QG 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 208, 209,
 &end
#
# 17 LYS QB 18 SER HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 205, 206,
 &end
#
# 17 LYS QB 19 PHE HZ 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 205, 206,
 &end
#
# 17 LYS QB 19 PHE QE 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 205, 206,
 igr2= 244, 248,
 &end
#
# 17 LYS QB 28 HIS HE1 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 205, 206,
 &end
#
# 17 LYS QD 18 SER HN 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 211, 212,
 &end
#
# 17 LYS QD 19 PHE HZ 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 211, 212,
 &end
#
# 17 LYS QD 19 PHE QE 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 211, 212,
 igr2= 244, 248,
 &end
#
# 17 LYS QD 28 HIS HE1 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 211, 212,
 &end
#
# 17 LYS QG 18 SER HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 208, 209,
 &end
#
# 17 LYS QG 28 HIS HE1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 208, 209,
 &end
#
# 18 SER HA 19 PHE HN 2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 234, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 18 SER HA 19 PHE QD 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 242, 250,
 &end
#
# 18 SER HN 18 SER QB 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 227, 228,
 &end
#
# 18 SER QB 19 PHE HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 227, 228,
 &end
#
# 19 PHE HA 19 PHE QD 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 242, 250,
 &end
#
# 19 PHE HB2 21 GLU HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 265, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 19 PHE HB2 24 LEU HB2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 320, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 19 PHE HB2 25 ILE HB 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 339, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 19 PHE HB2 25 ILE HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 335, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 19 PHE HB2 25 ILE QD1 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE HB3 21 GLU HN 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 265, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 19 PHE HB3 24 LEU HB2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 320, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 19 PHE HB3 24 LEU HB3 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 321, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 19 PHE HB3 24 LEU HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 316, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 19 PHE HB3 24 LEU QD1 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 325, 326, 327,
 &end
#
# 19 PHE HB3 25 ILE HB 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 339, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 19 PHE HB3 25 ILE HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 335, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 19 PHE HB3 25 ILE QD1 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE HN 19 PHE HB2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 238, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 19 PHE HN 19 PHE HB3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 19 PHE HN 19 PHE QD 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 242, 250,
 &end
#
# 19 PHE HN 25 ILE QD1 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE HZ 28 HIS HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 391, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 19 PHE HZ 28 HIS HE1 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 397, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 19 PHE QD 24 LEU HB2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 24 LEU HB3 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 24 LEU QD1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 242, 250,
 igr2= 325, 326, 327,
 &end
#
# 19 PHE QD 25 ILE HA 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 25 ILE HB 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 25 ILE QD1 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 242, 250,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE QE 25 ILE HA 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 244, 248,
 &end
#
# 19 PHE QE 25 ILE QD1 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 244, 248,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE QE 28 HIS HB2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 244, 248,
 &end
#
# 19 PHE QE 28 HIS HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 244, 248,
 &end
#
# 19 PHE QE 28 HIS HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 244, 248,
 &end
#
# 20 SER HB2 21 GLU HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 265, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 20 SER HB3 21 GLU HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 265, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 20 SER QB 21 GLU HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 258, 259,
 &end
#
# 20 SER QB 24 LEU QD1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 258, 259,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HB2 24 LEU HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 316, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 21 GLU HB2 24 LEU QD1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HB3 24 LEU HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 316, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 21 GLU HB3 24 LEU QD1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HG2 24 LEU QD1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HG3 24 LEU QD1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HN 21 GLU HB2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 21 GLU HN 21 GLU HB3 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 21 GLU HN 21 GLU HG2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 21 GLU HN 21 GLU HG3 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 273, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 21 GLU HN 21 GLU QB 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 269, 270,
 &end
#
# 21 GLU HN 24 LEU HB2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 320, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 21 GLU HN 24 LEU HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 321, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 21 GLU HN 24 LEU QD1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU QB 23 ARG HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 23 ARG QG 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 269, 270,
 igr2= 299, 300,
 &end
#
# 21 GLU QB 24 LEU HB2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 24 LEU HG 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 24 LEU HN 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 24 LEU QD1 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 269, 270,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU QB 24 LEU QD2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 269, 270,
 igr2= 329, 330, 331,
 &end
#
# 21 GLU QG 24 LEU HG 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 272, 273,
 &end
#
# 21 GLU QG 24 LEU HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 272, 273,
 &end
#
# 21 GLU QG 24 LEU QD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 272, 273,
 igr2= 325, 326, 327,
 &end
#
# 22 ASP HA 25 ILE HB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 339, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 22 ASP HA 25 ILE HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 335, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 22 ASP HA 25 ILE QD1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 348, 349, 350,
 &end
#
# 22 ASP HA 25 ILE QG2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 341, 342, 343,
 &end
#
# 22 ASP HA 26 LYS HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 354, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 22 ASP QB 23 ARG HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 284, 285,
 &end
#
# 22 ASP QB 24 LEU HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 284, 285,
 &end
#
# 23 ARG HA 26 LYS HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 354, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 23 ARG HA 26 LYS QB 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 358, 359,
 &end
#
# 23 ARG HA 26 LYS QG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 361, 362,
 &end
#
# 23 ARG HB2 23 ARG HD2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 302, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HB2 23 ARG HD3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 303, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HB3 23 ARG HD2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HB3 23 ARG HD3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 303, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HG2 24 LEU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 316, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 23 ARG HG2 24 LEU QD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 329, 330, 331,
 &end
#
# 23 ARG HG3 24 LEU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 316, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 23 ARG HG3 24 LEU QD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 329, 330, 331,
 &end
#
# 23 ARG HN 23 ARG HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 23 ARG HN 23 ARG HB3 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 23 ARG HN 23 ARG QB 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 296, 297,
 &end
#
# 23 ARG HN 23 ARG QG 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 299, 300,
 &end
#
# 23 ARG HN 24 LEU HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 316, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 24 LEU HA 24 LEU HG 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 24 LEU HA 24 LEU QD1 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HA 24 LEU QD2 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HA 27 SER HB2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 380, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 24 LEU HA 27 SER HB3 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 381, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 24 LEU HA 27 SER QB 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 380, 381,
 &end
#
# 24 LEU HB2 24 LEU QD1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HB2 24 LEU QD2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HB2 25 ILE HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 24 LEU HB3 24 LEU QD1 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HB3 24 LEU QD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HB3 25 ILE HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 24 LEU HG 25 ILE HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 24 LEU HN 24 LEU HB2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 24 LEU HN 24 LEU HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 24 LEU HN 24 LEU HG 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 24 LEU HN 24 LEU QD1 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HN 24 LEU QD2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HN 25 ILE HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 335, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 24 LEU HN 25 ILE QG2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 341, 342, 343,
 &end
#
# 24 LEU HN 26 LYS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 354, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 25 ILE HA 25 ILE QD1 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 348, 349, 350,
 &end
#
# 25 ILE HA 25 ILE QG1 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 345, 346,
 &end
#
# 25 ILE HA 25 ILE QG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 341, 342, 343,
 &end
#
# 25 ILE HA 28 HIS HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 391, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 25 ILE HA 28 HIS HB3 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 392, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 25 ILE HA 28 HIS HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 387, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 25 ILE HA 29 ILE HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 404, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 25 ILE HB 25 ILE QD1 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 348, 349, 350,
 &end
#
# 25 ILE HB 26 LYS HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 25 ILE HG12 29 ILE QD1 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 417, 418, 419,
 &end
#
# 25 ILE HG13 29 ILE QD1 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 417, 418, 419,
 &end
#
# 25 ILE HN 25 ILE HB 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 25 ILE HN 25 ILE HG12 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 345, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 25 ILE HN 25 ILE HG13 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 346, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 25 ILE HN 25 ILE QD1 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 348, 349, 350,
 &end
#
# 25 ILE HN 25 ILE QG2 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 341, 342, 343,
 &end
#
# 25 ILE HN 26 LYS HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 25 ILE QD1 28 HIS HB3 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 348, 349, 350,
 &end
#
# 25 ILE QD1 28 HIS HD2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 348, 349, 350,
 &end
#
# 25 ILE QD1 29 ILE HG13 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 348, 349, 350,
 &end
#
# 25 ILE QG1 29 ILE HG13 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 345, 346,
 &end
#
# 25 ILE QG2 25 ILE HG12 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 25 ILE HG13 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 25 ILE QG1 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 341, 342, 343,
 igr2= 345, 346,
 &end
#
# 25 ILE QG2 26 LYS HA 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS HG2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS HG3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS HN 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS QB 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 341, 342, 343,
 igr2= 358, 359,
 &end
#
# 25 ILE QG2 29 ILE HG13 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 341, 342, 343,
 &end
#
# 26 LYS HA 26 LYS HG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 361, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 LYS HA 26 LYS HG3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 LYS HA 26 LYS QD 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 364, 365,
 &end
#
# 26 LYS HA 26 LYS QG 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 361, 362,
 &end
#
# 26 LYS HA 29 ILE HB 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 408, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 26 LYS HA 29 ILE HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 404, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 26 LYS HA 29 ILE QD1 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 417, 418, 419,
 &end
#
# 26 LYS HA 30 LYS HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 423, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 26 LYS HN 26 LYS HG2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 LYS HN 26 LYS HG3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 LYS HN 26 LYS QB 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2= 358, 359,
 &end
#
# 26 LYS HN 26 LYS QG 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 361, 362,
 &end
#
# 26 LYS HN 27 SER HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 376, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 26 LYS QB 26 LYS HD2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 358, 359,
 &end
#
# 26 LYS QB 26 LYS HD3 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 358, 359,
 &end
#
# 26 LYS QB 27 SER HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 358, 359,
 &end
#
# 26 LYS QB 28 HIS HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 358, 359,
 &end
#
# 27 SER HA 30 LYS HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 423, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 27 SER HA 30 LYS QB 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 427, 428,
 &end
#
# 27 SER HN 27 SER HB2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 27 SER HN 27 SER HB3 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 27 SER HN 28 HIS HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 387, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 27 SER QB 28 HIS HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 380, 381,
 &end
#
# 28 HIS HA 30 LYS HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 28 HIS HA 31 THR HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 445, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 28 HIS HA 32 ASN HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 459, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 28 HIS HA 32 ASN QD2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 468, 469,
 &end
#
# 28 HIS HB2 29 ILE HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 28 HIS HB3 29 ILE HN 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 28 HIS HD2 29 ILE HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 406, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 28 HIS HD2 29 ILE HG12 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 414, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 28 HIS HD2 29 ILE HG13 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 415, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 28 HIS HD2 29 ILE HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 28 HIS HD2 29 ILE QD1 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 417, 418, 419,
 &end
#
# 28 HIS HD2 33 HIS HD2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 486, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 28 HIS HE1 32 ASN HB2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 463, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 28 HIS HE1 32 ASN QD2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 468, 469,
 &end
#
# 28 HIS HN 28 HIS HB2 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 391, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 28 HIS HN 28 HIS HB3 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 392, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 28 HIS HN 29 ILE HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HN 29 ILE HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 404, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 28 HIS HN 30 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 427, 428,
 &end
#
# 29 ILE HA 29 ILE HG12 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 29 ILE HA 29 ILE HG13 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 415, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 29 ILE HA 29 ILE QD1 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 417, 418, 419,
 &end
#
# 29 ILE HA 29 ILE QG2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 410, 411, 412,
 &end
#
# 29 ILE HA 32 ASN HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 459, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 29 ILE HA 33 HIS HD2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 486, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 29 ILE HA 33 HIS HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 473, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 29 ILE HB 29 ILE QD1 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 417, 418, 419,
 &end
#
# 29 ILE HB 30 LYS HN 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 423, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 29 ILE HG12 33 HIS HD2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 486, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29 ILE HG13 30 LYS HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 423, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 29 ILE HG13 33 HIS HD2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 486, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 29 ILE HN 29 ILE HB 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 29 ILE HN 29 ILE HG12 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 29 ILE HN 29 ILE HG13 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 415, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 29 ILE HN 29 ILE QD1 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 417, 418, 419,
 &end
#
# 29 ILE HN 29 ILE QG2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 410, 411, 412,
 &end
#
# 29 ILE HN 30 LYS HN 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 423, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 29 ILE HN 31 THR HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 445, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 29 ILE QD1 33 HIS HD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 417, 418, 419,
 &end
#
# 29 ILE QG2 29 ILE HG12 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 29 ILE HG13 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 30 LYS HA 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 30 LYS HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HB2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HB3 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HD2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 37 SER HA 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 537, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 37 SER QB 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 410, 411, 412,
 igr2= 539, 540,
 &end
#
# 30 LYS HA 30 LYS HG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 30 LYS HA 30 LYS HG3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 431, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 30 LYS HA 30 LYS QB 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 427, 428,
 &end
#
# 30 LYS HA 30 LYS QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 433, 434,
 &end
#
# 30 LYS HA 30 LYS QG 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 430, 431,
 &end
#
# 30 LYS HA 34 PRO HA 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 500, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 30 LYS HN 30 LYS HG2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 430, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 30 LYS HN 30 LYS HG3 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 431, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 30 LYS HN 30 LYS QB 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2= 427, 428,
 &end
#
# 30 LYS HN 31 THR HN 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 445, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 30 LYS HN 32 ASN HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 459, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 30 LYS HN 33 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LYS QB 31 THR HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 427, 428,
 &end
#
# 30 LYS QB 31 THR QG2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 427, 428,
 igr2= 451, 452, 453,
 &end
#
# 31 THR HA 31 THR QG2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 451, 452, 453,
 &end
#
# 31 THR HA 32 ASN HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 459, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 31 THR HA 33 HIS HN 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 473, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 31 THR HB 32 ASN HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 459, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 31 THR HB 32 ASN QD2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 468, 469,
 &end
#
# 31 THR HN 31 THR HB 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 31 THR HN 31 THR QG2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 451, 452, 453,
 &end
#
# 31 THR HN 32 ASN HB2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 463, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 31 THR HN 32 ASN HN 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 459, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 31 THR QG2 32 ASN HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 451, 452, 453,
 &end
#
# 32 ASN HB2 33 HIS HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 473, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 32 ASN HB3 33 HIS HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 473, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 32 ASN HN 32 ASN HB2 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 32 ASN HN 32 ASN HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 32 ASN HN 32 ASN QD2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 468, 469,
 &end
#
# 32 ASN HN 34 PRO HD3 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 492, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 33 HIS HA 34 PRO HD2 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 491, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 33 HIS HA 34 PRO HD3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 492, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 33 HIS HA 34 PRO QG 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 494, 495,
 &end
#
# 33 HIS HA 35 GLU HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 504, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 33 HIS HB2 33 HIS HD2 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 486, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 33 HIS HB2 36 VAL HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 519, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 33 HIS HB2 36 VAL QQG 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 33 HIS HB3 36 VAL HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 519, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 33 HIS HB3 36 VAL QQG 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 33 HIS HN 33 HIS HB2 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 477, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 33 HIS HN 33 HIS HB3 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 478, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 33 HIS HN 33 HIS HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 486, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 33 HIS HN 34 PRO HD2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 491, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 33 HIS HN 34 PRO HD3 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 33 HIS HN 34 PRO QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
# 34 PRO HA 36 VAL HN 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 34 PRO HD2 35 GLU HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 34 PRO HD3 35 GLU HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 504, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 34 PRO QB 35 GLU HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 497, 498,
 &end
#
# 34 PRO QB 36 VAL HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 497, 498,
 &end
#
# 34 PRO QB 36 VAL QQG 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 497, 498,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 34 PRO QG 35 GLU HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 494, 495,
 &end
#
# 35 GLU HB2 36 VAL HN 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 519, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 35 GLU HB3 36 VAL HN 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 519, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 35 GLU HN 35 GLU HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 508, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 35 GLU HN 35 GLU HB3 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 509, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 35 GLU HN 35 GLU HG2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 35 GLU HN 35 GLU HG3 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 512, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 35 GLU HN 35 GLU QB 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 508, 509,
 &end
#
# 35 GLU HN 36 VAL HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 519, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 35 GLU HN 36 VAL QQG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 35 GLU QB 36 VAL HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 508, 509,
 &end
#
# 35 GLU QG 36 VAL QQG 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 511, 512,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 36 VAL HA 36 VAL QG1 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 525, 526, 527,
 &end
#
# 36 VAL HA 36 VAL QG2 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 529, 530, 531,
 &end
#
# 36 VAL HA 36 VAL QQG 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 36 VAL HA 37 SER HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 535, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 36 VAL HB 37 SER HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 535, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 36 VAL HN 36 VAL HB 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 36 VAL HN 36 VAL QG1 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 525, 526, 527,
 &end
#
# 36 VAL HN 36 VAL QG2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 529, 530, 531,
 &end
#
# 36 VAL HN 36 VAL QQG 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 36 VAL QG1 37 SER HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 525, 526, 527,
 &end
#
# 36 VAL QG2 37 SER HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 529, 530, 531,
 &end
#
# 36 VAL QQG 37 SER HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 525, 526, 527, 529, 530, 531,
 &end
#
# 37 SER HN 37 SER QB 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 539, 540,
 &end


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