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
10486 1pu1 5704 cing 1-original 1 AMBER distance NOE simple



#
#   3 LEU  HA      3 LEU  QD1     5.00  1.00E-01   (#peak  2867 #SUP  4.39)
 &rst
  ixpk= 2867, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  HA      3 LEU  QD2     5.00  1.00E-01   (#peak  2885 #SUP  4.47)
 &rst
  ixpk= 2885, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  45,  46,  47,  41,  42,  43,
 &end
#
#   3 LEU  HB3     4 ARG+ HN      3.50  1.00E-01   (#peak  1435 #SUP  3.46)
 &rst
  ixpk= 1435, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  37,  36,
 &end
#
#   3 LEU  HB3    89 PHE  HB3     5.00  1.00E-01   (#peak  2426 #SUP  2.31)
 &rst
  ixpk= 2426, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  37,  36,
 igr2=1373,1372,
 &end
#
#   3 LEU  HG      4 ARG+ HN      5.00             (#peak  1392 #SUP  4.02)
 &rst
  ixpk= 1392, nxpk= 0, iat=  39,  51, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 LEU  QD1     6 LEU  HG      5.00  1.00E-01   (#peak  2172 #SUP  1.50)
 &rst
  ixpk= 2172, nxpk= 0, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  QD1     6 LEU  QD1     5.00  1.00E-01   (#peak  2174 #SUP  4.71)
 &rst
  ixpk= 2174, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2= 106, 107, 108, 110, 111, 112,
 &end
#
#   3 LEU  QD1     6 LEU  QD2     5.00  1.00E-01   (#peak  2342 #SUP  2.96)
 &rst
  ixpk= 2342, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   3 LEU  QD1    89 PHE  HB2     5.50  1.00E-01   (#peak  2169 #SUP  1.26)
 &rst
  ixpk= 2169, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2=1372,1373,
 &end
#
#   3 LEU  QD2     6 LEU  QD2     5.00  1.00E-01   (#peak  2343 #SUP  2.00)
 &rst
  ixpk= 2343, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   3 LEU  QD2    89 PHE  HB2     5.00  1.00E-01   (#peak  2205 #SUP  5.87)
 &rst
  ixpk= 2205, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2=1372,1373,
 &end
#
#   3 LEU  QD2    89 PHE  HB3     5.00  1.00E-01   (#peak  2425 #SUP  4.01)
 &rst
  ixpk= 2425, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2=1373,1372,
 &end
#
#   4 ARG+ HA      5 LYS+ HB3     5.50  1.00E-01   (#peak  2735 #SUP  2.26)
 &rst
  ixpk= 2735, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  80,  79,
 &end
#
#   4 ARG+ HB2    10 ASP- HB3     5.50  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  55,  56,
 &end
#
#   5 LYS+ HD3     6 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  85,
 &end
#
#   5 LYS+ HG2     6 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  82,  83,
 &end
#
#   6 LEU  HA      6 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 106, 107, 108, 110, 111, 112,
 &end
#
#   6 LEU  HA      6 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   6 LEU  HA     10 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99, 156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   6 LEU  HA     10 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99, 157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   6 LEU  HB3    10 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 102, 101,
 &end
#
#   6 LEU  HB3    10 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 102, 101,
 &end
#
#   6 LEU  QD2    10 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 110, 111, 112, 106, 107, 108,
 &end
#
#   6 LEU  HB3    11 LEU  HG      5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 102, 101,
 &end
#
#   6 LEU  HB3    11 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 102, 101,
 igr2= 177, 178, 179, 173, 174, 175,
 &end
#
#   6 LEU  QD1    14 ILE  QD1     5.50  1.00E-01   (#peak  2327 #SUP  2.55)
 &rst
  ixpk= 2327, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 106, 107, 108, 110, 111, 112,
 igr2= 223, 224, 225,
 &end
#
#   6 LEU  QD2    14 ILE  HG13    5.50  1.00E-01   (#peak  2338 #SUP  1.67)
 &rst
  ixpk= 2338, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 221, 220,
 &end
#
#   7 THR  HA      8 GLU- HB3     5.50  1.00E-01
 &rst
  ixpk= 2338, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 135, 134,
 &end
#
#   7 THR  HB      8 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 2338, nxpk= 0, iat= 120, 130, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  HB      9 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2338, nxpk= 0, iat= 120, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- HA     11 LEU  HB2     5.50  1.00E-01   (#peak  3111 #SUP  1.50)
 &rst
  ixpk= 3111, nxpk= 0, iat= 132, 168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#   8 GLU- HA     11 LEU  HG      5.50  1.00E-01   (#peak  3106 #SUP  1.49)
 &rst
  ixpk= 3106, nxpk= 0, iat= 132, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 GLU- HA     11 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 3106, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   8 GLU- HG2    11 LEU  QD1     5.50             (#peak  2210 #SUP  1.76)
 &rst
  ixpk= 2210, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 137, 138,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   9 GLY  HN     11 LEU  QD1     5.50  1.00E-01   (#peak  1569 #SUP  2.83)
 &rst
  ixpk= 1569, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#  10 ASP- HA     13 GLU- HB2     5.50  1.00E-01   (#peak  2585 #SUP  1.39)
 &rst
  ixpk= 2585, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 199, 200,
 &end
#
#  10 ASP- HA     13 GLU- HB3     3.50  1.00E-01
 &rst
  ixpk= 2585, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 200, 199,
 &end
#
#  10 ASP- HB2    14 ILE  QD1     5.50  1.00E-01   (#peak  2348 #SUP  1.66)
 &rst
  ixpk= 2348, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 223, 224, 225,
 &end
#
#  11 LEU  HN     13 GLU- HB3     5.50  1.00E-01   (#peak  1278 #SUP  1.76)
 &rst
  ixpk= 1278, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 200, 199,
 &end
#
#  11 LEU  QD2    14 ILE  HB      5.50  1.00E-01   (#peak  2313 #SUP  0.75)
 &rst
  ixpk= 2313, nxpk= 0, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 177, 178, 179, 173, 174, 175,
 &end
#
#  11 LEU  HB2    44 VAL  QG1     5.00  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 707, 708, 709, 711, 712, 713,
 &end
#
#  11 LEU  QD1    46 TYR  HB2     5.50  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 173, 174, 175, 177, 178, 179,
 &end
#
#  11 LEU  QD2    46 TYR  HB2     5.50  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 177, 178, 179, 173, 174, 175,
 &end
#
#  13 GLU- HA     16 SER  HB3     3.50  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 245, 244,
 &end
#
#  14 ILE  HA     17 PHE  HB2     5.00  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 255, 256,
 &end
#
#  14 ILE  HA     17 PHE  HB3     5.50  1.00E-01   (#peak  2527 #SUP  1.83)
 &rst
  ixpk= 2527, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 256, 255,
 &end
#
#  14 ILE  HB     17 PHE  HN      5.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat= 214, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 SER  HN     15 SER  HB3     3.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 234, 233,
 &end
#
#  15 SER  HB3    44 VAL  HB      5.00  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 234, 233,
 &end
#
#  15 SER  HB3    44 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 234, 233,
 igr2= 707, 708, 709, 711, 712, 713,
 &end
#
#  15 SER  HN     44 VAL  HB      5.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat= 229, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 SER  HA     20 ASN  HB3     5.50  1.00E-01   (#peak  2515 #SUP  1.60)
 &rst
  ixpk= 2515, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 312, 311,
 &end
#
#  16 SER  HB3    19 HIS+ HB3     5.50  1.00E-01   (#peak  2462 #SUP  2.38)
 &rst
  ixpk= 2462, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 245, 244,
 igr2= 295, 294,
 &end
#
#  17 PHE  HB2    18 LEU  HG      5.50  1.00E-01
 &rst
  ixpk= 2462, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 255, 256,
 &end
#
#  17 PHE  HB2    18 LEU  QD1     5.50  1.00E-01   (#peak  2262 #SUP  4.97)
 &rst
  ixpk= 2262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 255, 256,
 igr2= 280, 281, 282, 284, 285, 286,
 &end
#
#  18 LEU  HB2    19 HIS+ HA      5.50             (#peak  2875 #SUP  3.88)
 &rst
  ixpk= 2875, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  18 LEU  HG     21 THR  HB      5.50  1.00E-01   (#peak  2672 #SUP  1.78)
 &rst
  ixpk= 2672, nxpk= 0, iat= 278, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 LEU  QD2    21 THR  HB      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  HB2    22 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 348, 349, 350,
 &end
#
#  18 LEU  QD2    22 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2= 348, 349, 350,
 &end
#
#  18 LEU  HB3    54 ILE  HG12    5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 873, 874,
 &end
#
#  18 LEU  HA     78 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  18 LEU  QD2    78 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  QD2    82 LEU  HB2     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1269,1270,
 &end
#
#  18 LEU  QD2    82 LEU  HB3     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1270,1269,
 &end
#
#  19 HIS+ HD2    20 ASN  HN      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HN     20 ASN  HB3     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 312, 311,
 &end
#
#  19 HIS+ HA     22 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 292, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HA     22 ILE  HG12    5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 345, 346,
 &end
#
#  19 HIS+ HA     22 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 348, 349, 350,
 &end
#
#  19 HIS+ HN     22 ILE  HG12    5.50  1.00E-01   (#peak   573 #SUP  1.50)
 &rst
  ixpk= 573, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 345, 346,
 &end
#
#  19 HIS+ HA     40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 573, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  19 HIS+ HA     42 VAL  QG1     5.50  1.00E-01
 &rst
  ixpk= 573, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  19 HIS+ HN     42 VAL  QG1     5.50  1.00E-01   (#peak   570 #SUP  1.43)
 &rst
  ixpk= 570, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  20 ASN  HN     20 ASN  HD21    5.50  1.00E-01   (#peak   262 #SUP  3.78)
 &rst
  ixpk= 262, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 316, 317,
 &end
#
#  20 ASN  HN     20 ASN  HD22    5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 317, 316,
 &end
#
#  20 ASN  HB3    20 ASN  HD22    3.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 312, 311,
 igr2= 317, 316,
 &end
#
#  20 ASN  HB3    21 THR  HA      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 312, 311,
 &end
#
#  20 ASN  HA     23 SER  HB3     3.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 359, 358,
 &end
#
#  21 THR  HB     22 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR  HN     23 SER  HB3     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 359, 358,
 &end
#
#  21 THR  HB     78 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  22 ILE  QD1    23 SER  HN      5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 348, 349, 350,
 &end
#
#  22 ILE  HB     25 PHE  HB3     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 339, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  22 ILE  HA     26 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 410, 411, 412,
 &end
#
#  22 ILE  HB     26 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 410, 411, 412,
 &end
#
#  22 ILE  HB     40 ILE  QD1     3.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 646, 647, 648,
 &end
#
#  22 ILE  HN     40 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 646, 647, 648,
 &end
#
#  22 ILE  QD1    40 ILE  HG13    5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 348, 349, 350,
 igr2= 644, 643,
 &end
#
#  22 ILE  HG13   74 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 346, 345,
 igr2=1155,1156,1157,
 &end
#
#  22 ILE  HG13   78 ALA  QB      3.84             (#peak  2133 #SUP  3.43)
 &rst
  ixpk= 2133, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 346, 345,
 igr2=1203,1204,1205,
 &end
#
#  23 SER  HA     26 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 410, 411, 412,
 &end
#
#  23 SER  HA     27 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 SER  HA     27 LEU  QD2     5.50  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 429, 430, 431, 425, 426, 427,
 &end
#
#  23 SER  HA     40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  23 SER  HN     40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  24 ASP- HA     27 LEU  HG      5.50  1.00E-01   (#peak  2730 #SUP  3.17)
 &rst
  ixpk= 2730, nxpk= 0, iat= 367, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 ASP- HA     27 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 429, 430, 431, 425, 426, 427,
 &end
#
#  25 PHE  HA     26 ILE  HG13    5.50  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 408, 407,
 &end
#
#  25 PHE  HN     27 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 377, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE  HA     29 ARG+ HB2     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 461, 462,
 &end
#
#  25 PHE  HB3    74 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 382,1153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  25 PHE  HB3    74 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1155,1156,1157,
 &end
#
#  26 ILE  HA     29 ARG+ HB2     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 461, 462,
 &end
#
#  26 ILE  HA     29 ARG+ HB3     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 462, 461,
 &end
#
#  26 ILE  QD1    38 ILE  HA      5.50  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 410, 411, 412,
 &end
#
#  26 ILE  HB     40 ILE  QD1     5.50  1.00E-01   (#peak  1978 #SUP  1.98)
 &rst
  ixpk= 1978, nxpk= 0, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 646, 647, 648,
 &end
#
#  26 ILE  HG13   40 ILE  QD1     5.50             (#peak  1947 #SUP  1.62)
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 407,
 igr2= 646, 647, 648,
 &end
#
#  26 ILE  QD1    40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 410, 411, 412,
 igr2= 646, 647, 648,
 &end
#
#  26 ILE  HG12   71 VAL  HA      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#  26 ILE  QD1    71 VAL  HA      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 410, 411, 412,
 &end
#
#  26 ILE  HA     74 ALA  QB      5.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1155,1156,1157,
 &end
#
#  26 ILE  HG12   74 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 407, 408,
 igr2=1155,1156,1157,
 &end
#
#  27 LEU  HA     27 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  27 LEU  HB3    27 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 421, 420,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  27 LEU  HN     27 LEU  HG      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS+ HA     28 LYS+ HD3     5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 446, 445,
 &end
#
#  28 LYS+ HA     28 LYS+ HG2     3.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 442, 443,
 &end
#
#  29 ARG+ HA     29 ARG+ HD2     5.50             (#peak  2543 #SUP  4.83)
 &rst
  ixpk= 2543, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 467, 468,
 &end
#
#  29 ARG+ HA     29 ARG+ HG3     3.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 465, 464,
 &end
#
#  29 ARG+ HB2    70 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 461, 462,
 igr2=1102,1103,1104,
 &end
#
#  29 ARG+ HB3    70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 462, 461,
 igr2=1102,1103,1104,
 &end
#
#  29 ARG+ HB3    70 ILE  HG12    5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 462, 461,
 igr2=1099,1100,
 &end
#
#  29 ARG+ HD3    70 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 468, 467,
 igr2=1102,1103,1104,
 &end
#
#  30 VAL  HA     30 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#  30 VAL  QG1    32 ALA  HA      5.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#  30 VAL  QG1    34 GLU- HB3     5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 545, 544,
 &end
#
#  30 VAL  QG1    34 GLU- HG2     5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 547, 548,
 &end
#
#  30 VAL  QG1    34 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#  30 VAL  QG1    35 ILE  HN      5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#  31 SER  HB2    32 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#  31 SER  HB2    33 LYS+ HB3     5.50  1.00E-01   (#peak  3213 #SUP  1.72)
 &rst
  ixpk= 3213, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 501, 502,
 igr2= 523, 522,
 &end
#
#  31 SER  HB3    33 LYS+ HD3     5.50  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 501,
 igr2= 529, 528,
 &end
#
#  31 SER  HN     34 GLU- HB3     5.00  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 545, 544,
 &end
#
#  32 ALA  HA     34 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat= 510, 540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  32 ALA  HN     34 GLU- HN      5.50  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat= 508, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 ALA  HN     35 ILE  HG13    5.50             (#peak  1428 #SUP  3.87)
 &rst
  ixpk= 1428, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 565,
 &end
#
#  32 ALA  HN     35 ILE  HN      5.00  1.00E-01
 &rst
  ixpk= 1428, nxpk= 0, iat= 508, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  32 ALA  HN     35 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 1428, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 568, 569, 570,
 &end
#
#  33 LYS+ HG3    33 LYS+ HD3     2.90  1.00E-01
 &rst
  ixpk= 1428, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 526, 525,
 igr2= 529, 528,
 &end
#
#  33 LYS+ HG2    34 GLU- HG2     5.50  1.00E-01   (#peak  1920 #SUP  4.11)
 &rst
  ixpk= 1920, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 547, 548,
 &end
#
#  33 LYS+ HG3    34 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 1920, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 526, 525,
 &end
#
#  34 GLU- HB3    35 ILE  HG12    5.50  1.00E-01   (#peak  2299 #SUP  3.42)
 &rst
  ixpk= 2299, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 545, 544,
 igr2= 565, 566,
 &end
#
#  34 GLU- HG3    35 ILE  HG13    5.50  1.00E-01
 &rst
  ixpk= 2299, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 548, 547,
 igr2= 566, 565,
 &end
#
#  34 GLU- HN     35 ILE  HG13    5.50  1.00E-01
 &rst
  ixpk= 2299, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 565,
 &end
#
#  34 GLU- HN     35 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2299, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 568, 569, 570,
 &end
#
#  34 GLU- HA     60 LEU  QD1     5.50  1.00E-01   (#peak  3016 #SUP  2.34)
 &rst
  ixpk= 3016, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 967, 968, 969, 971, 972, 973,
 &end
#
#  34 GLU- HA     61 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 981, 982,
 &end
#
#  34 GLU- HA     61 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 982, 981,
 &end
#
#  35 ILE  HA     35 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 568, 569, 570,
 &end
#
#  35 ILE  HN     36 VAL  HN      5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 555, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 ILE  QD1    36 VAL  HN      5.50  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 568, 569, 570,
 &end
#
#  35 ILE  QD1    58 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 568, 569, 570,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  35 ILE  QD1    59 TYR  HN      5.50             (#peak  1622 #SUP  2.35)
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 568, 569, 570,
 &end
#
#  36 VAL  HA     36 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  36 VAL  HB     59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 578, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  36 VAL  HB     59 TYR  HB3     3.50  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 578, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  36 VAL  HB     59 TYR  HN      5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 578, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 VAL  HN     59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 574, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  36 VAL  HN     59 TYR  HB3     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 574, 942, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  36 VAL  QG1    59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  36 VAL  QG1    59 TYR  HB3     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  36 VAL  QG1    61 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 982, 981,
 &end
#
#  37 ASP- HB2    59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 594, 595,
 &end
#
#  38 ILE  HA     38 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 615, 616, 617,
 &end
#
#  38 ILE  QD1    40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 615, 616, 617,
 igr2= 646, 647, 648,
 &end
#
#  39 ASP- HN     40 ILE  HG13    5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 644, 643,
 &end
#
#  39 ASP- HB2    57 GLU- HB3     5.50  1.00E-01   (#peak  2014 #SUP  2.00)
 &rst
  ixpk= 2014, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 908, 907,
 &end
#
#  39 ASP- HB2    57 GLU- HG3     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 911, 910,
 &end
#
#  39 ASP- HB3    57 GLU- HB3     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 908, 907,
 &end
#
#  39 ASP- HB3    57 GLU- HN      5.50  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 626, 903, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  39 ASP- HN     57 GLU- HN      3.50  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 621, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 ILE  HA     56 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 897, 898, 899,
 &end
#
#  40 ILE  HG13   56 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 644, 643,
 &end
#
#  40 ILE  HG13   56 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 644, 643,
 igr2= 897, 898, 899,
 &end
#
#  42 VAL  HA     53 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 856, 855,
 &end
#
#  43 LEU  HB3    53 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 687, 686,
 igr2= 855, 856,
 &end
#
#  43 LEU  HB3    53 ASP- HB3     5.50  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 687, 686,
 igr2= 856, 855,
 &end
#
#  43 LEU  HN     53 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 855, 856,
 &end
#
#  44 VAL  HB     45 GLU- HN      5.50  1.00E-01   (#peak  1365 #SUP  4.46)
 &rst
  ixpk= 1365, nxpk= 0, iat= 705, 717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 VAL  QG1    45 GLU- HA      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 708, 709, 711, 712, 713,
 &end
#
#  45 GLU- HN     50 LEU  QD2     5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  45 GLU- HN     46 TYR  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 717, 732, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  HN     47 THR  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 732, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  50 LEU  HG     51 LYS+ HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 801, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 ILE  HG12   55 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 873, 874,
 &end
#
#  56 ALA  QB     75 VAL  HA      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 897, 898, 899,
 &end
#
#  56 ALA  QB     75 VAL  HB      5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 897, 898, 899,
 &end
#
#  58 LEU  QD2    70 ILE  HB      5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 931, 932, 933, 927, 928, 929,
 &end
#
#  58 LEU  QD2    71 VAL  HN      5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 931, 932, 933, 927, 928, 929,
 &end
#
#  60 LEU  HB2    64 SER  HB3     5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1028,1027,
 &end
#
#  61 ASP- HN     64 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 977,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 GLU- HA     64 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 991,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 LEU  HA     63 LEU  HG      3.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  63 LEU  HA     63 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1013,1014,1015,
 &end
#
#  65 ASP- HN     65 ASP- HB3     4.16             (#peak   449 #SUP  4.32)
 &rst
  ixpk= 449, nxpk= 0, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1039,1038,
 &end
#
#  66 ALA  QB     67 ASP- HB2     5.50  1.00E-01   (#peak  2122 #SUP  2.06)
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1050,1051,1052,
 &end
#
#  67 ASP- HB2    69 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1060,1082, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  67 ASP- HB3    69 GLY  HA2     5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1084,1085,
 &end
#
#  67 ASP- HB2    70 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1060,1093, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  67 ASP- HB2    70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1102,1103,1104,
 &end
#
#  67 ASP- HB3    70 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1102,1103,1104,
 &end
#
#  68 PRO  HD2    69 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1069,1070,
 &end
#
#  68 PRO  HD3    69 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1070,1069,
 &end
#
#  69 GLY  HA2    72 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1084,1085,
 igr2=1129,1128,
 &end
#
#  69 GLY  HN     70 ILE  HA      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1082,1091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HN     70 ILE  HB      5.50  1.00E-01   (#peak  1364 #SUP  4.49)
 &rst
  ixpk= 1364, nxpk= 0, iat=1082,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 GLY  HN     70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  70 ILE  HA     70 ILE  HG13    3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1100,1099,
 &end
#
#  70 ILE  HA     70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  70 ILE  HB     70 ILE  QD1     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1102,1103,1104,
 &end
#
#  70 ILE  HA     73 GLU- HG3     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1144,1143,
 &end
#
#  70 ILE  HA     74 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  HA     71 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1114,1115,1116,1118,1119,1120,
 &end
#
#  71 VAL  QG1    75 VAL  HB      5.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1114,1115,1116,1118,1119,1120,
 &end
#
#  71 VAL  QG1    75 VAL  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1114,1115,1116,1118,1119,1120,
 &end
#
#  72 ASP- HB3    73 GLU- HB2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1129,1128,
 igr2=1140,1141,
 &end
#
#  72 ASP- HB3    73 GLU- HG2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1129,1128,
 igr2=1143,1144,
 &end
#
#  73 GLU- HA     73 GLU- HG3     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1143,
 &end
#
#  73 GLU- HN     73 GLU- HG2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1143,1144,
 &end
#
#  73 GLU- HN     74 ALA  QB      5.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1155,1156,1157,
 &end
#
#  73 GLU- HA     76 ASP- HB2     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1181,1182,
 &end
#
#  73 GLU- HA     76 ASP- HB3     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1182,1181,
 &end
#
#  73 GLU- HN     76 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1181,1182,
 &end
#
#  74 ALA  HA     76 ASP- HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1153,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  HA     77 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1153,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 VAL  HA     77 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1163,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASP- HN     79 TYR  HN      5.50  1.00E-01   (#peak    99 #SUP  2.25)
 &rst
  ixpk= 99, nxpk= 0, iat=1177,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  77 ALA  HN     78 ALA  HN      2.90  1.00E-01
 &rst
  ixpk= 99, nxpk= 0, iat=1189,1199, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  77 ALA  QB     78 ALA  HN      5.50  1.00E-01
 &rst
  ixpk= 99, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1193,1194,1195,
 &end
#
#  77 ALA  HA     80 ARG+ HD2     5.50  1.00E-01   (#peak  2466 #SUP  2.30)
 &rst
  ixpk= 2466, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1240,1241,
 &end
#
#  78 ALA  HA     81 SER  HN      3.50  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1201,1254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 ALA  HA     82 LEU  HB2     5.00  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1269,1270,
 &end
#
#  79 TYR  HN     80 ARG+ HN      2.90  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1209,1230, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  82 LEU  QD2    86 LEU  HG      5.50  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1278,1279,1280,1274,1275,1276,
 &end
#
#  83 GLU- HA     85 PHE  HN      5.00  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1286,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 GLU- HN     85 PHE  HN      5.50  1.00E-01   (#peak   191 #SUP  2.21)
 &rst
  ixpk= 191, nxpk= 0, iat=1284,1310, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 SER  HN     86 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=1299,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 SER  HA     86 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=1301,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HB2    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1334,1335,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  86 LEU  QD2    89 PHE  HB2     5.50  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1343,1344,1345,1339,1340,1341,
 igr2=1372,1373,
 &end
#
#  86 LEU  HA     90 ARG+ HB3     5.50  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1393,1392,
 &end
#
#  86 LEU  HB3    90 ARG+ HE      5.50             (#peak   896 #SUP  2.25)
 &rst
  ixpk= 896, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1335,1334,
 &end
#
#  86 LEU  HB3    90 ARG+ HN      5.50  1.00E-01
 &rst
  ixpk= 896, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1335,1334,
 &end
#
#  86 LEU  HB3    91 GLU- HN      5.00             (#peak   618 #SUP  1.97)
 &rst
  ixpk= 618, nxpk= 0, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1335,1334,
 &end
#
#  87 ASP- HA     89 PHE  HN      5.50  1.00E-01   (#peak   752 #SUP  2.08)
 &rst
  ixpk= 752, nxpk= 0, iat=1351,1368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 ASP- HA     90 ARG+ HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1351,1388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 ARG+ HN     91 GLU- HB3     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1417,1416,
 &end
#
#   1 MET  HA      2 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   1 MET  HB3     2 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   9,   8,
 &end
#
#   2 SER  HN      2 SER  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#   2 SER  HN      3 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  HN      3 LEU  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  34, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   3 LEU  HN      3 LEU  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=  36,  37,
 &end
#
#   3 LEU  HN      3 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  HN      3 LEU  HG      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  39, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   2 SER  QB      3 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  25,  26,
 &end
#
#   3 LEU  HA      4 ARG+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  34,  51, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   3 LEU  QD2     4 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  45,  46,  47,  41,  42,  43,
 &end
#
#   4 ARG+ HN      4 ARG+ HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  56,  55,
 &end
#
#   4 ARG+ HN      4 ARG+ HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=  55,  56,
 &end
#
#   4 ARG+ HN      4 ARG+ QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  61,  62,
 &end
#
#   4 ARG+ HN      5 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   4 ARG+ HN      6 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   4 ARG+ HN      6 LEU  HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 ARG+ HB2    10 ASP- HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#   4 ARG+ HA      5 LYS+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  53,  75, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   4 ARG+ HB2     5 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  55,  56,
 &end
#
#   4 ARG+ HB3     5 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  56,  55,
 &end
#
#   4 ARG+ QD      5 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  61,  62,
 &end
#
#   5 LYS+ HN      5 LYS+ HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=  80,  79,
 &end
#
#   5 LYS+ HN      5 LYS+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  82,  83,
 &end
#
#   5 LYS+ HN      6 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   5 LYS+ HN      6 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 106, 107, 108, 110, 111, 112,
 &end
#
#   5 LYS+ HA      6 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  77,  97, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   5 LYS+ QB      6 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  79,  80,
 &end
#
#   6 LEU  HN      6 LEU  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 101, 102,
 &end
#
#   6 LEU  HN      6 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   6 LEU  HN      6 LEU  HG      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  97, 104, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   6 LEU  QD2    11 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 177, 178, 179, 173, 174, 175,
 &end
#
#   6 LEU  QB     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 101, 102,
 &end
#
#   6 LEU  HA      7 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  99, 116, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   6 LEU  QB      7 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 101, 102,
 &end
#
#   6 LEU  QD1     7 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 106, 107, 108, 110, 111, 112,
 &end
#
#   6 LEU  HN      7 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  97, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  HN      9 GLY  QA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 147, 148,
 &end
#
#   7 THR  HN      7 THR  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 122, 123, 124,
 &end
#
#   7 THR  HN     10 ASP- HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   7 THR  HN     10 ASP- HB2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   7 THR  HN     11 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   8 GLU- HN     11 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   8 GLU- HN     10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- HN      9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  HA      8 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   7 THR  QG2     8 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 &end
#
#   8 GLU- HN      8 GLU- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 132, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   8 GLU- HN      8 GLU- QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 134, 135,
 &end
#
#   8 GLU- HN      8 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 137, 138,
 &end
#
#   7 THR  QG2     9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 &end
#
#   7 THR  HA      9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 118, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- QB      9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 134, 135,
 &end
#
#   9 GLY  HN      9 GLY  QA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 147, 148,
 &end
#
#   9 GLY  HN     12 ASP- HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 188, 187,
 &end
#
#   9 GLY  HN     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 ASP- HN     11 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  10 ASP- HN     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  QG2    10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 &end
#
#   7 THR  HN     10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   9 GLY  QA     10 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 147, 148,
 &end
#
#   9 GLY  HN     10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 ASP- HN     10 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#   7 THR  HN     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 ASP- HB2    11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 156, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  10 ASP- HB3    11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 157, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  11 LEU  HN     11 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  11 LEU  HN     11 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#  11 LEU  HN     11 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 177, 178, 179, 173, 174, 175,
 &end
#
#  11 LEU  QD2    14 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 177, 178, 179, 173, 174, 175,
 igr2= 223, 224, 225,
 &end
#
#  11 LEU  QD1    14 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 173, 174, 175, 177, 178, 179,
 igr2= 223, 224, 225,
 &end
#
#  11 LEU  HN     14 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 223, 224, 225,
 &end
#
#   9 GLY  HN     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145, 164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- HN     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 LEU  HA     14 ILE  HB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 166, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   9 GLY  QA     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 147, 148,
 &end
#
#  11 LEU  HB2    12 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 168, 183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  11 LEU  HB3    12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 169, 183, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  11 LEU  QD1    12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 173, 174, 175, 177, 178, 179,
 &end
#
#  11 LEU  QD2    12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 177, 178, 179, 173, 174, 175,
 &end
#
#  11 LEU  HG     12 ASP- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 171, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 LEU  HN     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 ASP- HN     12 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 183, 185, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  12 ASP- HN     12 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 188, 187,
 &end
#
#  12 ASP- HN     12 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 187, 188,
 &end
#
#  12 ASP- HA     15 SER  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 233, 234,
 &end
#
#  12 ASP- HB3    13 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 188, 187,
 &end
#
#  13 GLU- HN     13 GLU- QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 199, 200,
 &end
#
#  13 GLU- HN     14 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 195, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   9 GLY  QA     13 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 147, 148,
 &end
#
#  10 ASP- HN     13 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 LEU  HA     14 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 166, 210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 LEU  HA     14 ILE  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 223, 224, 225,
 &end
#
#  12 ASP- HA     14 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 185, 210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 GLU- QB     14 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 199, 200,
 &end
#
#  14 ILE  HN     14 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  14 ILE  HN     14 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 223, 224, 225,
 &end
#
#  14 ILE  HN     14 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 216, 217, 218,
 &end
#
#  14 ILE  HN     15 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 210, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 ILE  HA     16 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 212, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 LEU  HA     15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 166, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 ASP- HA     15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 185, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ILE  HB     15 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 214, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 ILE  QD1    15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 223, 224, 225,
 &end
#
#  14 ILE  QG2    15 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 216, 217, 218,
 &end
#
#  13 GLU- HN     15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 195, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 SER  HN     16 SER  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  16 SER  HN     16 SER  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 244, 245,
 &end
#
#  14 ILE  QG2    16 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 216, 217, 218,
 &end
#
#  16 SER  HN     17 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 240, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 SER  HA     19 HIS+ HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 294, 295,
 &end
#
#  16 SER  QB     17 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 244, 245,
 &end
#
#  17 PHE  HN     17 PHE  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 255, 256,
 &end
#
#  17 PHE  HN     17 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 259, 267,
 &end
#
#  14 ILE  QG2    17 PHE  QD      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 216, 217, 218,
 igr2= 259, 267,
 &end
#
#  14 ILE  HA     17 PHE  QD      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 259, 267,
 &end
#
#  14 ILE  HA     17 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 212, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 GLU- HB3    17 PHE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 200, 199,
 &end
#
#  15 SER  HA     18 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 231, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 PHE  QB     18 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 255, 256,
 &end
#
#  17 PHE  QD     18 LEU  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 259, 267,
 &end
#
#  18 LEU  HN     18 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  18 LEU  HN     18 LEU  QQD     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  HN     19 HIS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 271, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 SER  HA     19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 231, 290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 SER  HA     19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 242, 290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU  HB2    19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  18 LEU  HB3    19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  18 LEU  QQD    19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  19 HIS+ HN     19 HIS+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 294, 295,
 &end
#
#  19 HIS+ HN     19 HIS+ HD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 290, 303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HN     20 ASN  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  19 HIS+ HD2    20 ASN  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 303, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HD2    23 SER  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 303, 356, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ QB     20 ASN  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 294, 295,
 &end
#
#  20 ASN  HN     20 ASN  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 311, 312,
 &end
#
#  20 ASN  HN     21 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  21 THR  HN     21 THR  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  21 THR  HN     21 THR  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 327, 328, 329,
 &end
#
#  20 ASN  QB     21 THR  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 311, 312,
 &end
#
#  21 THR  HN     22 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 PHE  HA     21 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 253, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR  HN     23 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 321, 354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU  HA     21 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 273, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU  HA     22 ILE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 273, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 ASN  HN     22 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 307, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 ILE  HN     22 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  21 THR  QG2    22 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 &end
#
#  22 ILE  HA     25 PHE  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 337, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  22 ILE  HB     23 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  22 ILE  QG2    23 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 341, 342, 343,
 &end
#
#  22 ILE  HN     23 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 SER  HN     23 SER  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  23 SER  HN     24 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 354, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 ASN  HA     23 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 309, 354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 SER  HA     26 ILE  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 356, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 ASN  HA     24 ASP- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 309, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 ASP- HN     25 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 ASP- HN     24 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  24 ASP- HN     24 ASP- HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 &end
#
#  24 ASP- HN     24 ASP- HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  24 ASP- HN     27 LEU  QD1     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  24 ASP- HA     27 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 420, 421,
 &end
#
#  21 THR  HA     25 PHE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 323, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 PHE  HN     25 PHE  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 377, 382, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 &end
#
#  25 PHE  HN     25 PHE  HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 &end
#
#  25 PHE  HN     25 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 385, 393,
 &end
#
#  24 ASP- HB3    25 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 370, 377, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  22 ILE  HA     25 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 337, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 ILE  QG2    25 PHE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 341, 342, 343,
 &end
#
#  25 PHE  HN     26 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 PHE  HA     28 LYS+ QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 439, 440,
 &end
#
#  25 PHE  HB3    26 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  25 PHE  HB2    26 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  25 PHE  QD     26 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 385, 393,
 &end
#
#  26 ILE  HN     26 ILE  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 ILE  HN     26 ILE  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 403, 404, 405,
 &end
#
#  26 ILE  HN     27 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 ILE  QG2    27 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 403, 404, 405,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  22 ILE  QG2    26 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 341, 342, 343,
 igr2= 410, 411, 412,
 &end
#
#  24 ASP- HA     27 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 367, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE  HA     27 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 379, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ILE  HB     27 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 401, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 LEU  HN     27 LEU  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 421, 420,
 &end
#
#  27 LEU  HN     27 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 420, 421,
 &end
#
#  27 LEU  HN     27 LEU  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  27 LEU  HN     28 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 ASP- HA     28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 367, 435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE  HA     28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 379, 435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ILE  HN     28 LYS+ HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 ILE  HA     28 LYS+ HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 399, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 LEU  HB3    28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 421, 420,
 &end
#
#  27 LEU  QD1    28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 425, 426, 427, 429, 430, 431,
 &end
#
#  28 LYS+ HN     28 LYS+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 439, 440,
 &end
#
#  28 LYS+ HN     28 LYS+ QE      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 448, 449,
 &end
#
#  28 LYS+ HN     28 LYS+ HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 443, 442,
 &end
#
#  28 LYS+ HN     28 LYS+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 442, 443,
 &end
#
#  28 LYS+ HN     30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 435, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ILE  HA     29 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 399, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 LEU  HA     29 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 418, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS+ QB     29 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 439, 440,
 &end
#
#  29 ARG+ HN     29 ARG+ HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 461, 462,
 &end
#
#  29 ARG+ HN     29 ARG+ HD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#  29 ARG+ HN     29 ARG+ QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 464, 465,
 &end
#
#  29 ARG+ HN     30 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 457, 481, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  27 LEU  HA     30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 418, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ARG+ HB2    30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 461, 462,
 &end
#
#  29 ARG+ QG     30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 464, 465,
 &end
#
#  30 VAL  HN     30 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 VAL  HN     30 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 491, 492, 493, 487, 488, 489,
 &end
#
#  30 VAL  HA     31 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 483, 497, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  30 VAL  HB     31 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 485, 497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 VAL  QQG    31 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 491, 492, 493, 487, 488, 489,
 &end
#
#  31 SER  HN     31 SER  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 502, 501,
 &end
#
#  31 SER  HN     31 SER  HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 501, 502,
 &end
#
#  31 SER  HN     32 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 SER  HN     34 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 548, 547,
 &end
#
#  31 SER  HN     34 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497, 540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 SER  HN     34 GLU- QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 544, 545,
 &end
#
#  31 SER  HA     32 ALA  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 499, 508, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  32 ALA  HN     32 ALA  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  32 ALA  HN     32 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 512, 513, 514,
 &end
#
#  32 ALA  HN     33 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 ALA  HN     34 GLU- HG3     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 548, 547,
 &end
#
#  32 ALA  HN     35 ILE  QG2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 561, 562, 563,
 &end
#
#  31 SER  HA     33 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 499, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 SER  HB2    33 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#  32 ALA  QB     33 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 512, 513, 514,
 &end
#
#  33 LYS+ HN     33 LYS+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 522, 523,
 &end
#
#  33 LYS+ HN     33 LYS+ QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 528, 529,
 &end
#
#  33 LYS+ HN     34 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 518, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  33 LYS+ HN     35 ILE  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 518, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 LYS+ QB     34 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 523,
 &end
#
#  34 GLU- HN     34 GLU- QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 544, 545,
 &end
#
#  34 GLU- HN     34 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 548, 547,
 &end
#
#  34 GLU- HN     35 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 540, 555, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  34 GLU- HB3    35 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 545, 544,
 &end
#
#  35 ILE  HN     35 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  35 ILE  HN     35 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 561, 562, 563,
 &end
#
#  35 ILE  HN     35 ILE  HG12    5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 565, 566,
 &end
#
#  35 ILE  HN     35 ILE  HG13    3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 565,
 &end
#
#  35 ILE  HA     36 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 557, 574, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  35 ILE  QG2    36 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 561, 562, 563,
 &end
#
#  36 VAL  HN     36 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 VAL  HN     36 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 584, 585, 586, 580, 581, 582,
 &end
#
#  36 VAL  HN     37 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 590, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  36 VAL  HB     37 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 578, 590, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  36 VAL  QQG    37 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 584, 585, 586, 580, 581, 582,
 &end
#
#  37 ASP- HA     38 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 592, 602, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  37 ASP- HB3    38 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 595, 594,
 &end
#
#  37 ASP- HB2    38 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 594, 595,
 &end
#
#  37 ASP- HN     38 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  HN     38 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 615, 616, 617,
 &end
#
#  38 ILE  HN     38 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 608, 609, 610,
 &end
#
#  38 ILE  HN     38 ILE  HG13    5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 613, 612,
 &end
#
#  38 ILE  HN     39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 602, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  QG2    40 ILE  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 608, 609, 610,
 igr2= 646, 647, 648,
 &end
#
#  38 ILE  HG12   40 ILE  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 612, 613,
 igr2= 646, 647, 648,
 &end
#
#  38 ILE  HA     39 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 604, 621, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  38 ILE  HB     39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  HG13   39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 613, 612,
 &end
#
#  38 ILE  QG2    39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 608, 609, 610,
 &end
#
#  39 ASP- HN     39 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  39 ASP- HA     40 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 623, 633, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  39 ASP- HN     40 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 ASP- HB2    40 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 625, 633, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  39 ASP- HB3    40 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 626, 633, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  40 ILE  HN     40 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 633, 637, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  40 ILE  HN     40 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 639, 640, 641,
 &end
#
#  40 ILE  HA     41 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 635, 652, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  40 ILE  HB     41 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 637, 652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 ILE  QG2    41 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 639, 640, 641,
 &end
#
#  40 ILE  HN     41 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 633, 652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  HN     41 THR  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 658, 659, 660,
 &end
#
#  41 THR  HN     42 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 666, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  QG2    43 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 658, 659, 660,
 igr2= 695, 696, 697, 691, 692, 693,
 &end
#
#  41 THR  QG2    43 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 658, 659, 660,
 igr2= 691, 692, 693, 695, 696, 697,
 &end
#
#  41 THR  QG2    43 LEU  HG      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 658, 659, 660,
 &end
#
#  41 THR  HA     42 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 654, 666, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  41 THR  QG2    42 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 658, 659, 660,
 &end
#
#  40 ILE  QG2    42 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 639, 640, 641,
 &end
#
#  42 VAL  HN     42 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 666, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 VAL  HN     42 VAL  QG1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  42 VAL  HN     42 VAL  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 676, 677, 678, 672, 673, 674,
 &end
#
#  40 ILE  QG2    42 VAL  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 639, 640, 641,
 igr2= 676, 677, 678, 672, 673, 674,
 &end
#
#  41 THR  QG2    43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 658, 659, 660,
 &end
#
#  42 VAL  HA     43 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 682, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  42 VAL  HB     43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 670, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 VAL  QG2    43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 676, 677, 678, 672, 673, 674,
 &end
#
#  42 VAL  HN     43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 666, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 LEU  HN     43 LEU  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 686, 687,
 &end
#
#  43 LEU  HN     43 LEU  QQD     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 695, 696, 697, 691, 692, 693,
 &end
#
#  43 LEU  HN     43 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 682, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 LEU  HA     44 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 684, 701, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  43 LEU  QB     44 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 686, 687,
 &end
#
#  43 LEU  HG     44 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 689, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 LEU  HN     44 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 682, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 VAL  HN     44 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 VAL  HN     44 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 711, 712, 713, 707, 708, 709,
 &end
#
#  44 VAL  HA     45 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  44 VAL  QQG    45 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 711, 712, 713, 707, 708, 709,
 &end
#
#  44 VAL  HN     45 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 701, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  45 GLU- HN     45 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#  44 VAL  QQG    46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 711, 712, 713, 707, 708, 709,
 &end
#
#  45 GLU- HA     46 TYR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 719, 732, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  46 TYR  HN     46 TYR  HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 732, 737, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  45 GLU- HB3    46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 722, 721,
 &end
#
#  45 GLU- HB2    46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 721, 722,
 &end
#
#  45 GLU- QG     46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#  46 TYR  HN     46 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 740, 749,
 &end
#
#  44 VAL  QQG    46 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 711, 712, 713, 707, 708, 709,
 igr2= 740, 749,
 &end
#
#  46 TYR  QD     48 ASP- HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  46 TYR  QE     48 ASP- HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 742, 747,
 &end
#
#  46 TYR  HA     47 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 753, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  46 TYR  QD     47 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  47 THR  HN     47 THR  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 759, 760, 761,
 &end
#
#  46 TYR  HB2    47 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 736, 753, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  47 THR  HN     49 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 753, 779, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  47 THR  HB     48 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 757, 767, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  47 THR  QG2    48 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 759, 760, 761,
 &end
#
#  47 THR  HN     48 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  48 ASP- HN     49 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 767, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  48 ASP- HB3    49 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 772, 771,
 &end
#
#  49 GLU- HN     49 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 787, 786,
 &end
#
#  46 TYR  HA     49 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 GLU- HA     50 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 781, 794, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  49 GLU- HN     50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 GLU- HG3    50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 787, 786,
 &end
#
#  50 LEU  HN     50 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 798, 799,
 &end
#
#  50 LEU  HN     50 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  50 LEU  HN     50 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  50 LEU  QD1    52 VAL  QG1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 803, 804, 805, 807, 808, 809,
 igr2= 841, 842, 843, 845, 846, 847,
 &end
#
#  50 LEU  QD2    52 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 803, 804, 805,
 igr2= 841, 842, 843, 845, 846, 847,
 &end
#
#  50 LEU  HA     51 LYS+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 796, 813, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  50 LEU  HB3    51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 799, 798,
 &end
#
#  50 LEU  QQD    51 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 803, 804, 805,
 &end
#
#  50 LEU  HN     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 794, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  51 LYS+ HN     51 LYS+ QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 817, 818,
 &end
#
#  51 LYS+ HN     51 LYS+ QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 820, 821,
 &end
#
#  51 LYS+ HN     52 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 813, 835, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  51 LYS+ HA     52 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 815, 835, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  51 LYS+ QB     52 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 817, 818,
 &end
#
#  51 LYS+ QG     52 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 820, 821,
 &end
#
#  52 VAL  HN     52 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  52 VAL  HN     52 VAL  QG1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 841, 842, 843, 845, 846, 847,
 &end
#
#  52 VAL  HN     52 VAL  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 845, 846, 847, 841, 842, 843,
 &end
#
#  52 VAL  HN     53 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 835, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 VAL  QG2    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 845, 846, 847, 841, 842, 843,
 igr2= 876, 877, 878,
 &end
#
#  52 VAL  HA     53 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 837, 851, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  52 VAL  HB     53 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 839, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 VAL  QG2    53 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 845, 846, 847, 841, 842, 843,
 &end
#
#  53 ASP- HA     54 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 853, 863, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  53 ASP- HB3    54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 855,
 &end
#
#  53 ASP- HB2    54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 855, 856,
 &end
#
#  54 ILE  HN     54 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 863, 867, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  54 ILE  HN     54 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 876, 877, 878,
 &end
#
#  54 ILE  HN     54 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 869, 870, 871,
 &end
#
#  54 ILE  HN     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  53 ASP- HN     54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 851, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 VAL  QG2    54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 845, 846, 847, 841, 842, 843,
 &end
#
#  54 ILE  HA     55 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  54 ILE  HB     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 ILE  QG2    55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 869, 870, 871,
 &end
#
#  55 SER  HN     56 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 882, 893, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 ILE  QG2    56 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 869, 870, 871,
 &end
#
#  55 SER  HA     56 ALA  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 884, 893, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  55 SER  QB     56 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 886, 887,
 &end
#
#  56 ALA  HN     56 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 897, 898, 899,
 &end
#
#  56 ALA  HA     57 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 895, 903, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  56 ALA  QB     57 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 897, 898, 899,
 &end
#
#  57 GLU- HN     57 GLU- QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 907, 908,
 &end
#
#  57 GLU- HN     57 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 910, 911,
 &end
#
#  38 ILE  HB     57 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 606, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 GLU- HA     58 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 905, 918, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  57 GLU- QG     58 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 910, 911,
 &end
#
#  58 LEU  HN     58 LEU  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 922, 923,
 &end
#
#  58 LEU  HN     58 LEU  QQD     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 931, 932, 933, 927, 928, 929,
 &end
#
#  58 LEU  HN     58 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 LEU  HA     59 TYR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 920, 937, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  58 LEU  QB     59 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 922, 923,
 &end
#
#  58 LEU  HN     59 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 918, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 LEU  QQD    59 TYR  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 931, 932, 933, 927, 928, 929,
 &end
#
#  59 TYR  HN     59 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 954,
 &end
#
#  59 TYR  HB3    60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 942, 958, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  59 TYR  HB2    60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 941, 958, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  59 TYR  QD     60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 954,
 &end
#
#  59 TYR  HN     60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 937, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 TYR  HA     60 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 939, 958, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  60 LEU  HN     60 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  60 LEU  HN     60 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 971, 972, 973, 967, 968, 969,
 &end
#
#  60 LEU  HN     60 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 958, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 LEU  HN     61 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 958, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 LEU  HA     61 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  60 LEU  HB2    61 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  60 LEU  HB3    61 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 963, 977, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  60 LEU  QQD    61 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 971, 972, 973, 967, 968, 969,
 &end
#
#  60 LEU  HG     61 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 965, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ASP- HN     61 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 982, 981,
 &end
#
#  61 ASP- HN     61 ASP- HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 981, 982,
 &end
#
#  61 ASP- HA     62 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  61 ASP- HB3    62 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 982, 981,
 &end
#
#  62 GLU- HN     62 GLU- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 994, 993,
 &end
#
#  62 GLU- HN     62 GLU- HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 996,
 &end
#
#  62 GLU- HN     63 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 989,1004, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 GLU- HB3    63 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 994, 993,
 &end
#
#  62 GLU- HG3    63 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 997, 996,
 &end
#
#  63 LEU  HN     63 LEU  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1008,1009,
 &end
#
#  63 LEU  HN     63 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1013,1014,1015,
 &end
#
#  63 LEU  HN     64 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  63 LEU  QB     64 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1008,1009,
 &end
#
#  63 LEU  QQD    64 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1013,1014,1015,
 &end
#
#  64 SER  HN     64 SER  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1027,1028,
 &end
#
#  64 SER  HA     65 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1025,1034, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  65 ASP- HN     66 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1034,1046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  64 SER  HN     65 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1023,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 SER  QB     65 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1027,1028,
 &end
#
#  65 ASP- QB     66 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1038,1039,
 &end
#
#  66 ALA  HN     66 ALA  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1046,1048, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  66 ALA  HN     66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1050,1051,1052,
 &end
#
#  64 SER  QB     66 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1027,1028,
 &end
#
#  66 ALA  HA     67 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1048,1056, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  66 ALA  QB     67 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1050,1051,1052,
 &end
#
#  67 ASP- HN     67 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1056,1060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  67 ASP- HN     67 ASP- HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1056,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  67 ASP- HA     70 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  67 ASP- HA     68 PRO  HD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1069,1070,
 &end
#
#  67 ASP- HA     69 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1058,1082, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  68 PRO  HA     69 GLY  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  69 GLY  HN     69 GLY  HA1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1084,1085,
 &end
#
#  69 GLY  HN     69 GLY  HA2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1084,1085,
 &end
#
#  68 PRO  HA     70 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HN     70 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  70 ILE  HN     70 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  70 ILE  HN     70 ILE  HG13    5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1100,1099,
 &end
#
#  70 ILE  HN     70 ILE  HG12    5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1099,1100,
 &end
#
#  70 ILE  HN     70 ILE  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1095,1096,1097,
 &end
#
#  70 ILE  HA     73 GLU- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1140,1141,
 &end
#
#  70 ILE  HG13   71 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1100,1099,
 &end
#
#  70 ILE  HG12   71 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1099,1100,
 &end
#
#  70 ILE  HN     71 VAL  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  71 VAL  HN     71 VAL  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  71 VAL  HN     71 VAL  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  71 VAL  HN     71 VAL  QQG     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1118,1119,1120,1114,1115,1116,
 &end
#
#  69 GLY  HA2    71 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1084,1085,
 &end
#
#  71 VAL  HN     72 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,1124, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  71 VAL  HA     74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1155,1156,1157,
 &end
#
#  69 GLY  HA2    72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1084,1085,
 &end
#
#  70 ILE  HA     72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1091,1124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  HB     72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1112,1124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  QQG    72 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1118,1119,1120,1114,1115,1116,
 &end
#
#  72 ASP- HN     72 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1124,1126, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  72 ASP- HN     72 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1129,1128,
 &end
#
#  72 ASP- HN     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1124,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  70 ILE  HN     72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,1124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- HA     75 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1126,1165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  70 ILE  HA     73 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1091,1136, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- QB     73 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1128,1129,
 &end
#
#  73 GLU- HN     73 GLU- QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1140,1141,
 &end
#
#  73 GLU- HN     73 GLU- HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1143,
 &end
#
#  73 GLU- HN     74 ALA  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,1151, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  73 GLU- HN     75 VAL  QQG     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  71 VAL  HA     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1110,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  HB     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1112,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- QB     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1128,1129,
 &end
#
#  73 GLU- QB     74 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1140,1141,
 &end
#
#  74 ALA  HN     74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1155,1156,1157,
 &end
#
#  74 ALA  HN     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1151,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  HA     77 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1193,1194,1195,
 &end
#
#  71 VAL  HA     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1110,1161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- HA     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1126,1161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 GLU- HN     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,1161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  QB     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1155,1156,1157,
 &end
#
#  75 VAL  HN     75 VAL  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,1165, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  75 VAL  HN     75 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  75 VAL  HN     78 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  75 VAL  HA     78 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1203,1204,1205,
 &end
#
#  75 VAL  QG1    79 TYR  QE      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1167,1168,1169,1171,1172,1173,
 igr2=1219,1224,
 &end
#
#  72 ASP- HA     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1126,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 GLU- HA     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1138,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 GLU- HN     76 ASP- HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1136,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  QB     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1155,1156,1157,
 &end
#
#  75 VAL  HB     76 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1165,1177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  75 VAL  QQG    76 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1171,1172,1173,1167,1168,1169,
 &end
#
#  75 VAL  HN     76 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,1177, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  76 ASP- HN     76 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,1179, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  76 ASP- HN     76 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1182,1181,
 &end
#
#  76 ASP- HN     76 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1181,1182,
 &end
#
#  76 ASP- HN     79 TYR  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1226,
 &end
#
#  76 ASP- HA     79 TYR  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1226,
 &end
#
#  76 ASP- HA     79 TYR  QE      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1219,1224,
 &end
#
#  76 ASP- HA     79 TYR  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#  76 ASP- HA     79 TYR  HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1214,1213,
 &end
#
#  76 ASP- HB3    77 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1182,1181,
 &end
#
#  73 GLU- QB     77 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1140,1141,
 &end
#
#  76 ASP- HB2    77 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1181,1182,
 &end
#
#  76 ASP- HN     77 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,1189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77 ALA  HN     77 ALA  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  77 ALA  HN     77 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1193,1194,1195,
 &end
#
#  77 ALA  HN     79 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1217,1226,
 &end
#
#  74 ALA  QB     77 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1155,1156,1157,
 &end
#
#  77 ALA  HA     80 ARG+ QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1234,1235,
 &end
#
#  75 VAL  HA     78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1163,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASP- HA     78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ALA  HN     78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1203,1204,1205,
 &end
#
#  76 ASP- HA     79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 VAL  HA     79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1163,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 VAL  QQG    79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1171,1172,1173,1167,1168,1169,
 &end
#
#  78 ALA  QB     79 TYR  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1203,1204,1205,
 &end
#
#  78 ALA  HN     79 TYR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1199,1209, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  79 TYR  HN     79 TYR  HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1214,1213,
 &end
#
#  79 TYR  HN     79 TYR  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#  79 TYR  HN     79 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1217,1226,
 &end
#
#  79 TYR  HN     81 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,1254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ALA  HA     80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1191,1230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASP- HA     80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,1230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ALA  QB     80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1193,1194,1195,
 &end
#
#  79 TYR  HB3    80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1214,1213,
 &end
#
#  80 ARG+ HN     80 ARG+ HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,1232, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  80 ARG+ HN     80 ARG+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1234,1235,
 &end
#
#  80 ARG+ HN     80 ARG+ HD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1240,1241,
 &end
#
#  80 ARG+ HN     80 ARG+ HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1238,1237,
 &end
#
#  80 ARG+ HN     80 ARG+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1237,1238,
 &end
#
#  80 ARG+ HN     81 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,1254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81 SER  HN     81 SER  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1258,1259,
 &end
#
#  81 SER  HN     82 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1254,1265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81 SER  HN     83 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1254,1284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ARG+ HN     82 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,1265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  HN     82 LEU  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,1267, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  82 LEU  HN     82 LEU  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1270,1269,
 &end
#
#  82 LEU  HN     82 LEU  HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1269,1270,
 &end
#
#  82 LEU  HN     82 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  78 ALA  HA     82 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1201,1265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  HA     85 PHE  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1314,1315,
 &end
#
#  82 LEU  HN     85 PHE  QB      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1314,1315,
 &end
#
#  82 LEU  QD2    85 PHE  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1278,1279,1280,1274,1275,1276,
 igr2=1318,1326,
 &end
#
#  81 SER  HA     83 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1256,1284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  HB2    83 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1269,1270,
 &end
#
#  82 LEU  HN     83 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,1284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  83 GLU- HN     83 GLU- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1284,1286, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  83 GLU- HN     83 GLU- QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1288,1289,
 &end
#
#  83 GLU- HN     83 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1291,1292,
 &end
#
#  82 LEU  HA     84 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 GLU- QB     84 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1288,1289,
 &end
#
#  84 SER  HN     85 PHE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1299,1310, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  82 LEU  HA     85 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  QQD    85 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1278,1279,1280,1274,1275,1276,
 &end
#
#  85 PHE  HN     85 PHE  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,1312, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  85 PHE  HN     85 PHE  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1315,1314,
 &end
#
#  85 PHE  HN     85 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1326,
 &end
#
#  85 PHE  HN     86 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  85 PHE  QD     89 PHE  QD      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1326,
 igr2=1376,1384,
 &end
#
#  82 LEU  HA     86 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 PHE  HB3    86 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1315,1314,
 &end
#
#  85 PHE  QD     86 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1326,
 &end
#
#  85 PHE  QD     86 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1318,1326,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  85 PHE  QE     86 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1320,1324,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  86 LEU  HN     86 LEU  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1335,1334,
 &end
#
#  86 LEU  HN     86 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1334,1335,
 &end
#
#  86 LEU  HN     86 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1339,1340,1341,1343,1344,1345,
 &end
#
#  86 LEU  HN     86 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  82 LEU  QD2    86 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1278,1279,1280,1274,1275,1276,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  82 LEU  QQD    86 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1278,1279,1280,1274,1275,1276,
 &end
#
#  86 LEU  HN     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  86 LEU  HA     89 PHE  HB3     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1373,
 &end
#
#  86 LEU  HA     89 PHE  HB2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1373,
 &end
#
#  86 LEU  HB3    87 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1335,1334,
 &end
#
#  86 LEU  HN     87 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,1349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  87 ASP- HN     87 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,1351, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  87 ASP- HN     87 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1354,1353,
 &end
#
#  87 ASP- HN     87 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1353,1354,
 &end
#
#  87 ASP- HN     89 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,1368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 PHE  HA     88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1312,1361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 PHE  QD     88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1326,
 &end
#
#  86 LEU  QD1    88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1339,1340,1341,1343,1344,1345,
 &end
#
#  87 ASP- HB3    88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1354,1353,
 &end
#
#  87 ASP- HB2    88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1353,1354,
 &end
#
#  88 GLY  HN     88 GLY  HA2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1363,1364,
 &end
#
#  88 GLY  HN     89 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,1368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  88 GLY  HN     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  86 LEU  HA     89 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,1368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HA     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  86 LEU  QD2    89 PHE  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1343,1344,1345,1339,1340,1341,
 igr2=1376,1384,
 &end
#
#  89 PHE  HN     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  89 PHE  HN     90 ARG+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1368,1388, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  88 GLY  HN     90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,1388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  88 GLY  HA1    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1363,1364,
 &end
#
#  88 GLY  HA2    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1363,1364,
 &end
#
#  89 PHE  HB3    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1373,1372,
 &end
#
#  89 PHE  HB2    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1372,1373,
 &end
#
#  89 PHE  QD     90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1376,1384,
 &end
#
#  90 ARG+ HN     90 ARG+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1392,1393,
 &end
#
#  90 ARG+ HN     90 ARG+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1395,1396,
 &end
#
#  90 ARG+ HN     91 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1388,1412, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  86 LEU  HA     90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,1388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  91 GLU- HN     91 GLU- HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1417,1416,
 &end
#
#  91 GLU- HN     91 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1420,1419,
 &end
#
#  88 GLY  HA2    91 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1363,1364,
 &end
#
#  89 PHE  HB3    91 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1373,1372,
 &end
#
#   6 LEU  QD2    46 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 740, 749,
 &end
#
#   6 LEU  QD2    46 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 742, 747,
 &end
#
#   6 LEU  QD1    50 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 106, 107, 108, 110, 111, 112,
 igr2= 803, 804, 805, 807, 808, 809,
 &end
#
#   6 LEU  QD2    50 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 803, 804, 805, 807, 808, 809,
 &end
#
#   6 LEU  QD2    50 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#   3 LEU  QD2    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#   3 LEU  QD1    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#   6 LEU  QD1    89 PHE  QD      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 106, 107, 108, 110, 111, 112,
 igr2=1376,1384,
 &end
#
#   3 LEU  QD1    14 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2= 223, 224, 225,
 &end
#
#   6 LEU  QD2    14 ILE  QD1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 223, 224, 225,
 &end
#
#  35 ILE  QG2    38 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 561, 562, 563,
 igr2= 615, 616, 617,
 &end
#
#  35 ILE  HA     60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 557, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 ILE  HA     60 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 971, 972, 973, 967, 968, 969,
 &end
#
#  35 ILE  QD1    60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 568, 569, 570,
 &end
#
#  35 ILE  QG2    59 TYR  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 561, 562, 563,
 &end
#
#  30 VAL  QQG    35 ILE  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2= 565, 566,
 &end
#
#  32 ALA  HA     35 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 568, 569, 570,
 &end
#
#  27 LEU  QD2    35 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 429, 430, 431, 425, 426, 427,
 igr2= 568, 569, 570,
 &end
#
#  27 LEU  QD2    32 ALA  QB      2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 429, 430, 431, 425, 426, 427,
 igr2= 512, 513, 514,
 &end
#
#  60 LEU  QD2    66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 971, 972, 973, 967, 968, 969,
 igr2=1050,1051,1052,
 &end
#
#  60 LEU  QD1    66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 967, 968, 969, 971, 972, 973,
 igr2=1050,1051,1052,
 &end
#
#  66 ALA  QB     70 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1050,1051,1052,
 igr2=1102,1103,1104,
 &end
#
#  60 LEU  HA     64 SER  QB      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1027,1028,
 &end
#
#  61 ASP- HB2    64 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 981, 982,
 &end
#
#  61 ASP- HB3    64 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 982, 981,
 &end
#
#  60 LEU  HB2    64 SER  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 962,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  61 ASP- HN     64 SER  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1027,1028,
 &end
#
#  67 ASP- HN     70 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  37 ASP- HN     60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 VAL  HN     60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 ASP- HN     59 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 954,
 &end
#
#  37 ASP- HN     59 TYR  HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 942, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  37 ASP- HN     59 TYR  HB2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  39 ASP- HN     59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 954,
 &end
#
#  39 ASP- HA     59 TYR  QE      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 947, 952,
 &end
#
#  39 ASP- HB3    59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 947, 952,
 &end
#
#  37 ASP- HB2    59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 594, 595,
 igr2= 947, 952,
 &end
#
#  37 ASP- HB2    59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 594, 595,
 igr2= 945, 954,
 &end
#
#  37 ASP- HB3    59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 595, 594,
 igr2= 945, 954,
 &end
#
#  39 ASP- HB3    59 TYR  QD      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 945, 954,
 &end
#
#  57 GLU- QG     59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 910, 911,
 igr2= 945, 954,
 &end
#
#  57 GLU- QG     59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 910, 911,
 igr2= 947, 952,
 &end
#
#  57 GLU- QB     59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 907, 908,
 igr2= 945, 954,
 &end
#
#  57 GLU- QB     59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 907, 908,
 igr2= 947, 952,
 &end
#
#  41 THR  HN     56 ALA  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  HN     56 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 897, 898, 899,
 &end
#
#  41 THR  HN     55 SER  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 886, 887,
 &end
#
#  43 LEU  HN     53 ASP- HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 856, 855,
 &end
#
#  45 GLU- HN     51 LYS+ HB2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 817, 818,
 &end
#
#  47 THR  HN     51 LYS+ HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 753, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 VAL  HA     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 VAL  HA     53 ASP- HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 LEU  QB     53 ASP- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 686, 687,
 &end
#
#  41 THR  HN     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  HB     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 656, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 VAL  QG2    55 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 676, 677, 678, 672, 673, 674,
 &end
#
#  41 THR  HN     57 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 ILE  QG2    57 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 639, 640, 641,
 &end
#
#  45 GLU- HN     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 717, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  QG2    58 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 608, 609, 610,
 &end
#
#  37 ASP- HN     59 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  HA     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 ILE  HA     56 ALA  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 635, 895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 ASP- HN     56 ALA  HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  39 ASP- HN     57 GLU- HA      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 ILE  QD1    56 ALA  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 646, 647, 648,
 &end
#
#  40 ILE  QG2    56 ALA  HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 639, 640, 641,
 &end
#
#  40 ILE  QD1    56 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 646, 647, 648,
 igr2= 897, 898, 899,
 &end
#
#  40 ILE  QG2    56 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 639, 640, 641,
 igr2= 897, 898, 899,
 &end
#
#  46 TYR  HA     50 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  HA     50 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  42 VAL  HA     54 ILE  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  QD     50 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  46 TYR  QD     50 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 740, 749,
 igr2= 798, 799,
 &end
#
#  46 TYR  QD     50 LEU  HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 740, 749,
 igr2= 799, 798,
 &end
#
#  46 TYR  QE     50 LEU  HB2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 742, 747,
 igr2= 798, 799,
 &end
#
#  46 TYR  QE     50 LEU  HB3     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 742, 747,
 igr2= 799, 798,
 &end
#
#  46 TYR  QD     50 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 740, 749,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  46 TYR  QD     49 GLU- HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 740, 749,
 &end
#
#  46 TYR  QD     50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  46 TYR  QE     50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 742, 747,
 &end
#
#  46 TYR  QD     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  42 VAL  QG2    54 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 676, 677, 678, 672, 673, 674,
 igr2= 869, 870, 871,
 &end
#
#  45 GLU- HN     51 LYS+ QG      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 820, 821,
 &end
#
#  35 ILE  QG2    60 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 561, 562, 563,
 igr2= 967, 968, 969, 971, 972, 973,
 &end
#
#  35 ILE  HA     61 ASP- HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 557, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  36 VAL  HN     61 ASP- HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 VAL  QQG    61 ASP- HA      3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 584, 585, 586, 580, 581, 582,
 &end
#
#  38 ILE  QG2    58 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 608, 609, 610,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  35 ILE  QG2    58 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 561, 562, 563,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  22 ILE  QD1    40 ILE  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 348, 349, 350,
 igr2= 643, 644,
 &end
#
#  22 ILE  QD1    40 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2= 646, 647, 648,
 &end
#
#  19 HIS+ HA     40 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 639, 640, 641,
 &end
#
#  19 HIS+ HD2    40 ILE  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 639, 640, 641,
 &end
#
#  19 HIS+ HD2    40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  19 HIS+ HN     40 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 639, 640, 641,
 &end
#
#  19 HIS+ HD2    40 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 303, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HD2    42 VAL  QG2     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 676, 677, 678, 672, 673, 674,
 &end
#
#  14 ILE  QG2    44 VAL  QG2     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 216, 217, 218,
 igr2= 711, 712, 713, 707, 708, 709,
 &end
#
#  11 LEU  QD1    44 VAL  QG1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 173, 174, 175, 177, 178, 179,
 igr2= 707, 708, 709, 711, 712, 713,
 &end
#
#  11 LEU  QD2    46 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 177, 178, 179, 173, 174, 175,
 igr2= 740, 749,
 &end
#
#  11 LEU  QD2    46 TYR  QE      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 177, 178, 179, 173, 174, 175,
 igr2= 742, 747,
 &end
#
#  18 LEU  QD1    42 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 280, 281, 282, 284, 285, 286,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  23 SER  HN     38 ILE  QD1     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 615, 616, 617,
 &end
#
#  11 LEU  QD1    45 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 173, 174, 175, 177, 178, 179,
 &end
#
#  14 ILE  QG2    52 VAL  QG2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 216, 217, 218,
 igr2= 845, 846, 847, 841, 842, 843,
 &end
#
#  18 LEU  QD2    52 VAL  QG2     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2= 845, 846, 847, 841, 842, 843,
 &end
#
#  26 ILE  QD1    58 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 410, 411, 412,
 igr2= 931, 932, 933, 927, 928, 929,
 &end
#
#  26 ILE  QG2    58 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 403, 404, 405,
 igr2= 931, 932, 933, 927, 928, 929,
 &end
#
#  18 LEU  HA     54 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 876, 877, 878,
 &end
#
#  18 LEU  QD2    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2= 876, 877, 878,
 &end
#
#  18 LEU  QD1    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 280, 281, 282, 284, 285, 286,
 igr2= 876, 877, 878,
 &end
#
#  22 ILE  QD1    54 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2= 869, 870, 871,
 &end
#
#  26 ILE  QD1    58 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 410, 411, 412,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  22 ILE  HN     78 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  22 ILE  HA     78 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  22 ILE  HA     74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1155,1156,1157,
 &end
#
#  22 ILE  QD1    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2=1203,1204,1205,
 &end
#
#  21 THR  QG2    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 327, 328, 329,
 igr2=1203,1204,1205,
 &end
#
#  21 THR  QG2    77 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 &end
#
#  21 THR  QG2    81 SER  HB3     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 327, 328, 329,
 igr2=1259,1258,
 &end
#
#  22 ILE  QD1    78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 348, 349, 350,
 &end
#
#  22 ILE  HN     22 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 341, 342, 343,
 &end
#
#  30 VAL  QQG    66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2=1050,1051,1052,
 &end
#
#  30 VAL  QQG    66 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 491, 492, 493, 487, 488, 489,
 &end
#
#  14 ILE  QD1    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 223, 224, 225,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  14 ILE  QD1    89 PHE  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 223, 224, 225,
 igr2=1376,1384,
 &end
#
#  14 ILE  QG2    85 PHE  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 216, 217, 218,
 igr2=1318,1326,
 &end
#
#  14 ILE  QD1    85 PHE  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 223, 224, 225,
 igr2=1320,1324,
 &end
#
#  14 ILE  QD1    85 PHE  QD      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 223, 224, 225,
 igr2=1318,1326,
 &end
#
#  22 ILE  QG2    75 VAL  QG1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 341, 342, 343,
 igr2=1167,1168,1169,1171,1172,1173,
 &end
#
#  22 ILE  QG2    75 VAL  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 341, 342, 343,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  22 ILE  QD1    75 VAL  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 348, 349, 350,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  22 ILE  QD1    75 VAL  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 348, 349, 350,
 igr2=1167,1168,1169,1171,1172,1173,
 &end
#
#  22 ILE  QG2    74 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 341, 342, 343,
 igr2=1155,1156,1157,
 &end
#
#  22 ILE  QD1    74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 348, 349, 350,
 igr2=1155,1156,1157,
 &end
#
#  25 PHE  QD     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 385, 393,
 &end
#
#  25 PHE  QE     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 387, 391,
 &end
#
#  26 ILE  QD1    74 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 410, 411, 412,
 igr2=1155,1156,1157,
 &end
#
#  26 ILE  HN     74 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1155,1156,1157,
 &end
#
#  25 PHE  QD     77 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 385, 393,
 &end
#
#  25 PHE  QD     77 ALA  QB      2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 385, 393,
 igr2=1193,1194,1195,
 &end
#
#  25 PHE  QE     77 ALA  QB      3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 387, 391,
 igr2=1193,1194,1195,
 &end
#
#  18 LEU  QD2    78 ALA  QB      2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1203,1204,1205,
 &end
#
#  18 LEU  QD2    82 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1274,1275,1276,1278,1279,1280,
 &end
#
#  18 LEU  QQD    82 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  QD2    82 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  14 ILE  QG2    82 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 216, 217, 218,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  18 LEU  QD1    82 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 280, 281, 282, 284, 285, 286,
 igr2=1274,1275,1276,1278,1279,1280,
 &end
#
#  17 PHE  QD     82 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 259, 267,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  17 PHE  QE     85 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 261, 265,
 igr2=1318,1326,
 &end
#
#  17 PHE  HZ     85 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1326,
 &end
#
#  17 PHE  QD     85 PHE  HZ      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 259, 267,
 &end
#
#  30 VAL  QQG    70 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2=1102,1103,1104,
 &end
#
#  30 VAL  QQG    70 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2=1095,1096,1097,
 &end
#
#  30 VAL  HN     70 ILE  QG2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1095,1096,1097,
 &end
#
#  52 VAL  QG1    82 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 841, 842, 843, 845, 846, 847,
 igr2=1274,1275,1276,1278,1279,1280,
 &end
#
#  17 PHE  QE     82 LEU  HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 265,
 &end
#
#  21 THR  QG2    78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 &end
#
#  25 PHE  QD     74 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 385, 393,
 igr2=1155,1156,1157,
 &end
#
#  25 PHE  QE     74 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 387, 391,
 igr2=1155,1156,1157,
 &end
#
#  58 LEU  QD1    70 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 927, 928, 929, 931, 932, 933,
 igr2=1095,1096,1097,
 &end
#
#  58 LEU  QD2    71 VAL  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 931, 932, 933, 927, 928, 929,
 igr2=1118,1119,1120,1114,1115,1116,
 &end
#
#  54 ILE  QD1    79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 876, 877, 878,
 &end
#
#  54 ILE  QD1    79 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 876, 877, 878,
 igr2=1217,1226,
 &end
#
#  54 ILE  QD1    79 TYR  QE      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 876, 877, 878,
 igr2=1219,1224,
 &end
#
#  54 ILE  QD1    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 876, 877, 878,
 igr2=1203,1204,1205,
 &end
#
#  54 ILE  QG2    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 869, 870, 871,
 igr2=1203,1204,1205,
 &end
#
#  54 ILE  HN     79 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1219,1224,
 &end
#
#  54 ILE  QG2    75 VAL  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 869, 870, 871,
 igr2=1167,1168,1169,1171,1172,1173,
 &end
#
#  54 ILE  QG2    75 VAL  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 869, 870, 871,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  54 ILE  QD1    75 VAL  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 876, 877, 878,
 &end
#
#  22 ILE  QD1    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2= 876, 877, 878,
 &end
#
#  58 LEU  QD2    70 ILE  QG2     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 931, 932, 933, 927, 928, 929,
 igr2=1095,1096,1097,
 &end


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