NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
2932 1cur cing 1-original 5 AMBER distance NOE simple


#   1 GLY  HA2     2 THR  HN      3.70
 &rst iat=   4,   9, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, 
      rk2=0.0, rk3=20.0, ir6=1,
 &end
#
#   2 THR  HN      2 THR  HB      3.70
 &rst iat=   9,  13, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   2 THR  HN      2 THR  MG      5.00
 &rst iat=   9,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  15,  16,  17,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##   2 THR  HA      3 LEU  HN      3.00
## &rst iat=  11,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end 3/25/96.
#
#   2 THR  HN      3 LEU  HN      4.00
 &rst iat=   9,  23, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   3 LEU  HN      3 LEU  HA      3.70
 &rst iat=  23,  25, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   3 LEU  HN      3 LEU  HB2     3.00
 &rst iat=  23,  27, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   3 LEU  HN      3 LEU  HB3     5.00
 &rst iat=  23,  28, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 LEU  HN      3 LEU  MD1     5.00
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HN      3 LEU  MD2     5.01
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##   3 LEU  HA      4 ASP  HN      3.00 3/25/96.
## &rst iat=  25,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   3 LEU  HB2     4 ASP  HN      3.70
 &rst iat=  27,  42, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   3 LEU  HB3     4 ASP  HN      5.00
 &rst iat=  28,  42, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 LEU  MD2     4 ASP  HN      5.35
 &rst iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB3   110 GLY  HN      5.80
 &rst iat=  28,1652, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   4 ASP  HN      4 ASP  QPB     5.00
 &rst iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  HN    109 THR  HA      5.00
 &rst iat=  42,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   5 THR  HN      5 THR  MG      5.17
 &rst iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HN      6 THR  HB      5.00
 &rst iat=  69,  73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   6 THR  HN      6 THR  MG      5.00
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HA      7 TRP  HN      3.70
 &rst iat=  71,  83, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   6 THR  MG      7 TRP  HN      4.00
 &rst iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HN      7 TRP  HB2     5.00
 &rst iat=  83,  87, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 TRP  HN      7 TRP  HB3     5.00
 &rst iat=  83,  88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 TRP  HN      7 TRP  HD      5.00  (## loosened from 4A 2/9/96.)
 &rst iat=  83,  91, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 TRP  HB3     8 LYS  HN      5.00
 &rst iat=  88, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LYS  HN      8 LYS  HB2     3.70
 &rst iat= 107, 111, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   8 LYS  HN      8 LYS  HB3     3.70
 &rst iat= 107, 112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   8 LYS  HN      8 LYS  QPG     5.00
 &rst iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 114, 115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA      9 GLU  HN      5.00
 &rst iat= 109, 129, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LYS  HB2     9 GLU  HN      5.00
 &rst iat= 111, 129, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LYS  HB3     9 GLU  HN      3.70
 &rst iat= 112, 129, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   8 LYS  HN    122 TYR  HN      5.00
 &rst iat= 107,1825, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   9 GLU  HN      9 GLU  QPB     5.00
 &rst iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HN      9 GLU  QPG     5.00
 &rst iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HA     10 ALA  HN      3.70
 &rst iat= 131, 145, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   9 GLU  QPB    10 ALA  HN      5.00
 &rst iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  QPB   120 PHE  HN      5.10
 &rst iat=  -1,1798, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN    121 GLY  QPA     5.00
 &rst iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1820,1821,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN     10 ALA  MB      3.70
 &rst iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HA     11 THR  HN      3.70
 &rst iat= 147, 155, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  10 ALA  MB     11 THR  HN      3.70
 &rst iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN    119 LYS  QPB     5.24
 &rst iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1780,1781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN    120 PHE  HN      4.00
 &rst iat= 145,1798, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  11 THR  HA     12 LEU  HN      3.70
 &rst iat= 157, 169, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  11 THR  HN    120 PHE  HB2     3.70
 &rst iat= 155,1802, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  11 THR  HN     14 GLN  HB3     5.00
 &rst iat= 155, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 THR  HN     14 GLN  HN      5.00
 &rst iat= 155, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 LEU  HN     12 LEU  HB2     3.70
 &rst iat= 169, 173, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  12 LEU  HN     12 LEU  HB3     3.70
 &rst iat= 169, 174, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  12 LEU  HN     12 LEU  QQD     5.00
 &rst iat= 169, 175, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  12 LEU  HN     13 PRO  QPD     5.00
 &rst iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HA     15 VAL  HN      3.70
 &rst iat= 171, 219, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  12 LEU  HN    120 PHE  HZ      5.25
 &rst iat= 169,1810, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  13 PRO  HA     14 GLN  HN      5.00
 &rst iat= 198, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 PRO  QPB    14 GLN  HN      5.00
 &rst iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HB3     15 VAL  HN      5.00
 &rst iat= 174, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 GLN  HNE1   14 GLN  QPG     5.89
 &rst iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HN     14 GLN  HB2     3.70
 &rst iat= 202, 206, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  14 GLN  HN     14 GLN  HB3     5.00
 &rst iat= 202, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 GLN  HA     15 VAL  HN      5.00
 &rst iat= 204, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 GLN  HB3    15 VAL  HN      3.70 ## loosened.
 &rst iat= 207, 219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 GLN  HN     15 VAL  HN      4.00
 &rst iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  14 GLN  QPG    15 VAL  HN      5.00
 &rst iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HN     17 ALA  MB      5.00
 &rst iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HN     15 VAL  HB      3.00
 &rst iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  15 VAL  HN     15 VAL  MG1     5.00
 &rst iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HN     15 VAL  MG2     4.00
 &rst iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HB     16 LYS  HN      3.70
 &rst iat= 223, 235, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  15 VAL  HN     16 LYS  HN      4.00
 &rst iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 VAL  MG1    16 LYS  HN      5.00
 &rst iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2    16 LYS  HN      4.00
 &rst iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HA     18 MET  HN      5.00
 &rst iat= 221, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 LYS  HN     16 LYS  HB2     3.00
 &rst iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  16 LYS  HN     16 LYS  QPG     5.00
 &rst iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA     17 ALA  HN      5.00
 &rst iat= 237, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 LYS  HB2    17 ALA  HN      3.70
 &rst iat= 239, 257, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  16 LYS  HN     17 ALA  HN      4.00
 &rst iat= 235, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  16 LYS  QPG    17 ALA  HN      5.00
 &rst iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HN     18 MET  HN      5.00
 &rst iat= 235, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 ALA  HN     17 ALA  MB      3.00
 &rst iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  HA     18 MET  HN      5.00
 &rst iat= 259, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 ALA  HN     18 MET  HN      4.00
 &rst iat= 257, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  17 ALA  MB     18 MET  HN      3.70
 &rst iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  HA     19 LEU  HN      5.00
 &rst iat= 259, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 MET  HN     18 MET  HB2     3.70
 &rst iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 MET  HN     18 MET  HB3     3.70
 &rst iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 MET  HN     18 MET  QPG     5.00
 &rst iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HB2    19 LEU  HN      3.70
 &rst iat= 271, 286, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 MET  HB3    19 LEU  HN      5.00
 &rst iat= 272, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 MET  HN     19 LEU  HN      4.00
 &rst iat= 267, 286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  18 MET  QPG    19 LEU  HN      5.13
 &rst iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA     21 LYS  HN      5.00
 &rst iat= 269, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 LEU  HN     19 LEU  HB3     3.70
 &rst iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  19 LEU  HN     19 LEU  HG      3.00
 &rst iat= 286, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  19 LEU  HN     19 LEU  QQD     4.00
 &rst iat= 286, 292, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  19 LEU  HA     20 GLU  HN      5.78
 &rst iat= 288, 305, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  19 LEU  HB3    20 GLU  HN      5.13
 &rst iat= 291, 305, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  19 LEU  HG     20 GLU  HN      5.00
 &rst iat= 293, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 LEU  HN     20 GLU  HN      4.00
 &rst iat= 286, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 LEU  HN     21 LYS  HN      6.55
 &rst iat= 286, 321, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  20 GLU  HN     20 GLU  HB2     3.70
 &rst iat= 305, 309, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 GLU  HN     20 GLU  HB3     5.00
 &rst iat= 305, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  20 GLU  HN     20 GLU  QPG     5.00
 &rst iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  HB2    21 LYS  HN      3.70
 &rst iat= 309, 321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 GLU  HB3    21 LYS  HN      5.00
 &rst iat= 310, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  20 GLU  HN     21 LYS  HN      4.00
 &rst iat= 305, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  20 GLU  HN     22 ASP  HN      5.00
 &rst iat= 305, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 LYS  HN     21 LYS  QPB     5.00
 &rst iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  HN     21 LYS  QPG     5.00
 &rst iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  HA     22 ASP  HN      5.00
 &rst iat= 323, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 LYS  HN     22 ASP  HN      4.00
 &rst iat= 321, 343, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  21 LYS  QPB    22 ASP  HN      5.30
 &rst iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HN     22 ASP  QPB     5.00
 &rst iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HN     41 VAL  MG2     5.00
 &rst iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  QPB    41 VAL  HN      5.17
 &rst iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HN     23 THR  MG      4.00
 &rst iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HN     24 GLY  HN      5.00
 &rst iat= 356, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 THR  MG     39 HISP HN      5.00
 &rst iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA3    25 LYS  HN      3.70
 &rst iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  24 GLY  HA2    25 LYS  HN      3.70
 &rst iat= 372, 377, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  24 GLY  HN     25 LYS  HN      5.00
 &rst iat= 370, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 GLY  HN     31 VAL  MG1     5.00
 &rst iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA2    32 THR  HN      3.70
 &rst iat= 372, 476, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  24 GLY  HN     33 TYR  CZ      6.37
 &rst iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 500, 505,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     25 LYS  QPB     5.00
 &rst iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     25 LYS  QPG     5.00
 &rst iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HA     26 VAL  HN      3.00
 &rst iat= 379, 399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 LYS  HN     26 VAL  HN      5.52
 &rst iat= 377, 399, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  25 LYS  QPB    26 VAL  HN      5.00
 &rst iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     31 VAL  MG1     4.00
 &rst iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     32 THR  HN      4.00
 &rst iat= 377, 476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  25 LYS  QPB    32 THR  HN      5.22
 &rst iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HN     26 VAL  HB      3.00
 &rst iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 VAL  HN     26 VAL  MG2     4.00
 &rst iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA     27 SER  HN      3.00
 &rst iat= 401, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 VAL  HB     27 SER  HN      5.00
 &rst iat= 403, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 VAL  HN     27 SER  HN      5.00
 &rst iat= 399, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 VAL  MG1    27 SER  HN      4.00
 &rst iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG1    28 GLY  HN      5.00
 &rst iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA     32 THR  HN      5.00
 &rst iat= 401, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER  HN     27 SER  QPB     5.00
 &rst iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 419, 420,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  HA     28 GLY  HN      3.70
 &rst iat= 417, 426, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  27 SER  HN     30 THR  HN      5.00
 &rst iat= 415, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER  HN     30 THR  MG      5.00
 &rst iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  HN     31 VAL  HA      3.70
 &rst iat= 415, 462, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  28 GLY  HA3    29 ASP  HN      3.70
 &rst iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  28 GLY  HA2    29 ASP  HN      3.70
 &rst iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  29 ASP  HN     29 ASP  QPB     5.00
 &rst iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 437, 438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  HA     30 THR  HN      5.00
 &rst iat= 435, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP  HN     30 THR  HN      4.00
 &rst iat= 433, 446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  30 THR  HN     30 THR  HB      3.70
 &rst iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  30 THR  HN     30 THR  MG      4.00
 &rst iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA     31 VAL  HN      3.00
 &rst iat= 448, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  30 THR  HB     31 VAL  HN      5.00
 &rst iat= 450, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 THR  MG     31 VAL  HN      4.00
 &rst iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HN     31 VAL  HB      3.70
 &rst iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  31 VAL  HN     31 VAL  MG2     4.00
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA     32 THR  HN      3.00
 &rst iat= 462, 476, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 VAL  MG1    32 THR  HN      4.00
 &rst iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  31 VAL  HB     59 LYS  HN      3.70 3/25/96.
## &rst iat= 464, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  31 VAL  HN     62 PRO  QPB     5.00
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HN     64 LEU  HA      5.00
 &rst iat= 460, 967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 VAL  HN     64 LEU  QQD     5.00
 &rst iat= 460, 971, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  32 THR  HN     32 THR  HB      3.70
 &rst iat= 476, 480, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  32 THR  HN     32 THR  MG      4.00
 &rst iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA     33 TYR  HN      3.70
 &rst iat= 478, 490, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  32 THR  HB     33 TYR  HN      5.37
 &rst iat= 480, 490, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  32 THR  MG     33 TYR  HN      4.00
 &rst iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA     65 GLU  HN      5.00
 &rst iat= 478, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 TYR  HN     33 TYR  CG      5.00
 &rst iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HN     33 TYR  QPB     5.00
 &rst iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB    34 SER  HN      5.00
 &rst iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HN     65 GLU  HB2     5.00
 &rst iat= 490, 988, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 SER  HN     34 SER  QPB     5.00
 &rst iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HN     38 VAL  MG2     4.00
 &rst iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 GLY  HA3    36 LYS  HN      5.00
 &rst iat= 525, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLY  HA2    36 LYS  HN      5.00
 &rst iat= 524, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLY  HN     36 LYS  HN      5.00
 &rst iat= 522, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLY  HN     67 PRO  QPG     5.35
 &rst iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HN     36 LYS  HB2     3.70
 &rst iat= 529, 533, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  36 LYS  HN     36 LYS  HB3     3.70
 &rst iat= 529, 534, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  36 LYS  HN     36 LYS  QPG     5.00
 &rst iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 537,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA     37 THR  HN      5.00
 &rst iat= 531, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 LYS  HB2    37 THR  HN      5.00
 &rst iat= 533, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 LYS  HB3    37 THR  HN      5.00
 &rst iat= 534, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 LYS  HN     37 THR  HN      4.00
 &rst iat= 529, 551, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  37 THR  HN     37 THR  HB      5.00
 &rst iat= 551, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 THR  HN     37 THR  MG      5.00
 &rst iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA     38 VAL  HN      3.70
 &rst iat= 553, 565, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  37 THR  HB     38 VAL  HN      5.00
 &rst iat= 555, 565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 THR  MG     38 VAL  HN      4.00
 &rst iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA     71 THR  HN      5.00
 &rst iat= 553,1060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL  HN     38 VAL  HB      3.70
 &rst iat= 565, 569, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  38 VAL  HN     38 VAL  MG2     4.00
 &rst iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HA     39 HISP HN      3.70
 &rst iat= 567, 581, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  38 VAL  HN     72 VAL  HA      5.00
 &rst iat= 565,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 HISP HN     39 HISP HB2     5.00
 &rst iat= 581, 585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 HISP HN     39 HISP HB3     5.00
 &rst iat= 581, 586, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 HISP HA     40 VAL  HN      3.70
 &rst iat= 583, 599, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  39 HISP HD     40 VAL  HN      4.00
 &rst iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  39 HISP HA     73 ASP  HN      3.70
 &rst iat= 583,1090, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 VAL  HN     40 VAL  HB      3.70
 &rst iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 VAL  HN     40 VAL  MG1     4.00
 &rst iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HN     40 VAL  MG2     4.00
 &rst iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HA     41 VAL  HN      3.70
 &rst iat= 601, 615, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 VAL  MG1    75 THR  HN      5.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HN     41 VAL  HB      5.00
 &rst iat= 615, 619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 VAL  HN     41 VAL  MG1     4.00
 &rst iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HN     41 VAL  MG2     5.00
 &rst iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA     42 ALA  HN      3.70
 &rst iat= 617, 631, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 VAL  MG1    42 ALA  HN      4.00
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA     75 THR  HN      3.70
 &rst iat= 617,1119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  42 ALA  HN     42 ALA  MB      3.70
 &rst iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HA     43 ALA  HN      3.00
 &rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 ALA  MB     43 ALA  HN      3.70
 &rst iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HN     75 THR  HB      5.00
 &rst iat= 631,1123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 ALA  HN     76 PHE  HA      5.31
 &rst iat= 631,1135, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  43 ALA  HN     43 ALA  MB      3.70
 &rst iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HA     44 ALA  HN      3.70
 &rst iat= 643, 651, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  43 ALA  MB     44 ALA  HN      3.70 ##(loosened to 4.5A).
 &rst iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HN     55 GLU  HN      4.00
 &rst iat= 641, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  43 ALA  HN     56 VAL  MG2     4.00
 &rst iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HA     77 ILE  HN      3.70
 &rst iat= 643,1153, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  44 ALA  HN     78 ASN  HA      5.00 ## tightened to 4.5A 4/10/96.
 &rst iat= 651,1174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  44 ALA  HN     79 THR  HN      5.00
 &rst iat= 651,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 ALA  MB     79 THR  HN      5.00
 &rst iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HN     45 VAL  MG2     4.00
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HA     46 LEU  HN      3.70
 &rst iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  45 VAL  MG2    53 SER  HN      4.00
 &rst iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG1    80 ASN  HND1    5.13
 &rst iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG1    80 ASN  HND2    5.10
 &rst iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  HN     46 LEU  HB2     3.70
 &rst iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  46 LEU  HN     46 LEU  HG      4.00
 &rst iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  46 LEU  HN     46 LEU  QQD     4.00
 &rst iat= 677, 683, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  47 PRO  HA     48 GLY  HN      3.70
 &rst iat= 706, 710, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  47 PRO  QPB    48 GLY  HN      5.06
 &rst iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 703, 704,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  48 GLY  HN     49 PHE  HN      4.00
 &rst iat= 710, 717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  49 PHE  HN     49 PHE  HB2     3.70
 &rst iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  49 PHE  HN     49 PHE  CG      5.00
 &rst iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  HA     51 PHE  HN      3.70
 &rst iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  50 PRO  QPB    51 PHE  HN      5.00
 &rst iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 744, 745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 PHE  HN     51 PHE  QPB     5.00
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 CPRO HA     53 SER  HN      5.00
 &rst iat= 781, 785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  53 SER  HA     54 PHE  HN      3.70
 &rst iat= 787, 796, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  53 SER  QPB    54 PHE  HN      5.55
 &rst iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 789, 790,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HN     54 PHE  HB2     5.00
 &rst iat= 796, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 PHE  HN     54 PHE  CG      5.33
 &rst iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HA     55 GLU  HN      3.70
 &rst iat= 798, 816, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  54 PHE  HB3    55 GLU  HN      5.00
 &rst iat= 801, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HN     55 GLU  HB2     3.70
 &rst iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  55 GLU  HN     55 GLU  HB3     5.00
 &rst iat= 816, 821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HA     56 VAL  HN      3.70
 &rst iat= 818, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  55 GLU  HB2    56 VAL  HN      5.00
 &rst iat= 820, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HB3    56 VAL  HN      5.00
 &rst iat= 821, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HB3    61 ASN  HND1    5.28 ##loosened 3/25/96.
 &rst iat= 821, 932, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.28,  &end
#
#  56 VAL  HN     56 VAL  HB      3.70
 &rst iat= 832, 836, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  56 VAL  HN     56 VAL  MG1     5.00
 &rst iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HN     56 VAL  MG2     4.00
 &rst iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HA     57 HISP HN      3.70
 &rst iat= 834, 848, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  56 VAL  MG1    57 HISP HN      4.00
 &rst iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG2    57 HISP HN      6.41
 &rst iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HN     59 LYS  HN      4.00
 &rst iat= 832, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  56 VAL  HN     60 LYS  HB2     5.00
 &rst iat= 832, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 HISP HN     57 HISP QPB     5.02
 &rst iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  57 HISP HA     58 ASP  HN      3.00 3/25/96.
## &rst iat= 850, 866, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58 ASP  HN     58 ASP  QPB     5.82
 &rst iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 870, 871,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  58 ASP  HA     59 LYS  HN      5.00
 &rst iat= 868, 879, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 ASP  HN     59 LYS  HN      4.00
 &rst iat= 866, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  59 LYS  HN     59 LYS  QPB     5.00
 &rst iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HN     59 LYS  QPG     5.39
 &rst iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HA     60 LYS  HN      3.70
 &rst iat= 881, 901, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  59 LYS  QPB    60 LYS  HN      5.00
 &rst iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HN     60 LYS  HB2     3.70
 &rst iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  61 ASN  HND1   61 ASN  HB2     5.00
 &rst iat= 932, 927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ASN  HND2   61 ASN  HB3     5.14
 &rst iat= 933, 928, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  61 ASN  HN     62 PRO  QPD     5.28
 &rst iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 938, 939,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  HN     30 THR  HA      3.70
 &rst iat= 951, 448, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  63 THR  HN     63 THR  HB      3.70
 &rst iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  63 THR  HA     64 LEU  HN      3.00
 &rst iat= 953, 965, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  63 THR  MG     64 LEU  HN      4.00
 &rst iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  HA    151 LYS  HN      5.00
 &rst iat= 953,2260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HN     64 LEU  HB3     3.70
 &rst iat= 965, 970, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  64 LEU  HA     65 GLU  HN      3.00
 &rst iat= 967, 984, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64 LEU  HB2    65 GLU  HN      5.00
 &rst iat= 969, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HG     65 GLU  HN      4.00
 &rst iat= 972, 984, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  65 GLU  HN     65 GLU  HB2     3.70
 &rst iat= 984, 988, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  65 GLU  HN     65 GLU  QPG     5.00
 &rst iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 991, 992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  HA     66 ILE  HN      3.00
 &rst iat= 986,1000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  66 ILE  HN     66 ILE  HB      3.00
 &rst iat=1000,1004, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  66 ILE  MG     68 ALA  HN      4.00
 &rst iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  QPB    68 ALA  HN      5.08
 &rst iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HN     68 ALA  HA      5.00
 &rst iat=1033,1035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  68 ALA  HN     68 ALA  MB      3.00
 &rst iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  MB     69 GLY  HN      3.70
 &rst iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HN    154 VAL  HA      5.59
 &rst iat=1033,2319, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  68 ALA  MB    155 LYS  HN      5.34
 &rst iat=  -1,2333, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 GLY  HA3    70 ALA  HN      5.00
 &rst iat=1046,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HA2    70 ALA  HN      5.00
 &rst iat=1045,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HN     70 ALA  HN      4.00
 &rst iat=1043,1050, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  69 GLY  HN    154 VAL  MG1     5.07
 &rst iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HN     70 ALA  MB      3.00
 &rst iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HA     71 THR  HN      3.00
 &rst iat=1052,1060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  70 ALA  MB     71 THR  HN      3.70
 &rst iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HN    129 PRO  QPG     5.00
 &rst iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HN     71 THR  HB      3.70
 &rst iat=1060,1064, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  71 THR  HA     72 VAL  HN      3.00
 &rst iat=1062,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  71 THR  HB     72 VAL  HN      5.00
 &rst iat=1064,1074, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 THR  MG     72 VAL  HN      4.00
 &rst iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HN     72 VAL  HB      3.70
 &rst iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  72 VAL  HN     72 VAL  MG1     4.00
 &rst iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HN     72 VAL  MG2     4.00
 &rst iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA     73 ASP  HN      3.00
 &rst iat=1076,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 VAL  MG1    73 ASP  HN      4.00
 &rst iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HN    127 TRP  HN      5.00
 &rst iat=1074,1907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 VAL  HN    128 HISP HA      5.00
 &rst iat=1074,1933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ASP  HN     73 ASP  HB3     3.70
 &rst iat=1090,1095, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  73 ASP  HA     74 VAL  HN      3.70
 &rst iat=1092,1103, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  74 VAL  HN     74 VAL  HB      3.70
 &rst iat=1103,1107, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  74 VAL  HN     74 VAL  MG2     4.00
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  HA     75 THR  HN      3.70
 &rst iat=1105,1119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  74 VAL  MG1    75 THR  HN      4.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  MG2    75 THR  HN      5.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  HN     73 ASP  HB3     5.00
 &rst iat=1103,1095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 VAL  HB    125 PHE  HN      5.00
 &rst iat=1107,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 VAL  HN    126 THR  HA      5.00
 &rst iat=1103,1895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 THR  HN     75 THR  HB      3.70
 &rst iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  75 THR  HA     76 PHE  HN      3.70
 &rst iat=1121,1133, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  75 THR  MG     76 PHE  HN      4.00
 &rst iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1125,1126,1127,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 THR  HA    125 PHE  HN      5.00
 &rst iat=1121,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PHE  HN     76 PHE  HB2     5.00
 &rst iat=1133,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PHE  HN     76 PHE  HB3     5.00
 &rst iat=1133,1138, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PHE  HA     77 ILE  HN      3.70
 &rst iat=1135,1153, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  76 PHE  HN    124 ASP  HA      5.39
 &rst iat=1133,1862, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  77 ILE  HN     77 ILE  MD      4.00
 &rst iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HN     77 ILE  QPG     4.00
 &rst iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HA     78 ASN  HN      5.00
 &rst iat=1155,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ILE  HB     78 ASN  HN      5.00
 &rst iat=1157,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ILE  MG     78 ASN  HN      4.00
 &rst iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  87 PHE  HB2   109 THR  HN      5.00
 &rst iat=1303,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HND2   78 ASN  HB3     5.23
 &rst iat=1182,1177, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  78 ASN  HN     78 ASN  HB2     5.00
 &rst iat=1172,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HN     78 ASN  HB3     3.70
 &rst iat=1172,1177, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  78 ASN  HA     79 THR  HN      3.70
 &rst iat=1174,1186, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  78 ASN  HND1   84 GLY  HA3     5.00
 &rst iat=1181,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HND2   84 GLY  HA3     5.05
 &rst iat=1182,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  78 ASN  HND1   85 HISP HN      5.08
 &rst iat=1181,1270, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  78 ASN  HN    122 TYR  HA      5.35
 &rst iat=1172,1827, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  79 THR  HN     79 THR  MG      5.00
 &rst iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  79 THR  HN     80 ASN  HN      4.00
 &rst iat=1186,1200, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  80 ASN  HND1   80 ASN  HA      5.00
 &rst iat=1209,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ASN  HND2   80 ASN  HA      5.00
 &rst iat=1210,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ASN  HN     80 ASN  HB2     3.70
 &rst iat=1200,1204, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80 ASN  HN     80 ASN  HB3     3.70
 &rst iat=1200,1205, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80 ASN  HA     81 LYS  HN      3.70
 &rst iat=1202,1214, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80 ASN  HND1   81 LYS  HN      5.00
 &rst iat=1209,1214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ASN  HND2   81 LYS  HN      6.01
 &rst iat=1210,1214, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  81 LYS  HN     81 LYS  QPB     5.00
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1218,1219,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA     82 GLY  HN      3.70
 &rst iat=1216,1236, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  81 LYS  QPB    82 GLY  HN      5.00
 &rst iat=  -1,1236, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1218,1219,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 GLY  HA3    83 PHE  HN      5.00
 &rst iat=1239,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 GLY  HN     83 PHE  HN      5.00
 &rst iat=1236,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HN     83 PHE  HB2     5.00
 &rst iat=1243,1247, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HN     83 PHE  HB3     5.00
 &rst iat=1243,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HA     84 GLY  HN      5.00
 &rst iat=1245,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HB3    84 GLY  HN      5.00
 &rst iat=1248,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 GLY  HA3    85 HISP HN      5.00
 &rst iat=1266,1270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 GLY  HA2    85 HISP HN      5.00
 &rst iat=1265,1270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 GLY  HN    114 VAL  MG2     4.00
 &rst iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  85 HISP HN     85 HISP HB2     5.00
 &rst iat=1270,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HN     85 HISP HB3     3.70
 &rst iat=1270,1275, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  85 HISP HN     85 HISP HD      4.00
 &rst iat=1270,1284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  85 HISP HA     86 SER  HN      5.00
 &rst iat=1272,1288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HB2    86 SER  HN      5.00
 &rst iat=1274,1288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HN     85 HISP HE      5.00
 &rst iat=1270,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  85 HISP HN    140 ILE  MD      4.00
 &rst iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HA     87 PHE  HN      5.00
 &rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 SER  HB2    87 PHE  HN      5.00
 &rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 SER  HB3    87 PHE  HN      5.00
 &rst iat=1293,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PHE  HN     87 PHE  HB2     5.00
 &rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PHE  HN     87 PHE  HB3     5.00
 &rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PHE  HA     88 ASP  HN      3.70
 &rst iat=1301,1319, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  87 PHE  HN    109 THR  OG1     4.00
 &rst iat=1299,1648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  87 PHE  HN    109 THR  HN      5.93
 &rst iat=1299,1638, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  87 PHE  HN    109 THR  MG      4.00
 &rst iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HN     88 ASP  HB2     3.70
 &rst iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  88 ASP  HN     88 ASP  HB3     3.70
 &rst iat=1319,1324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  88 ASP  HA     89 ILE  HN      3.70
 &rst iat=1321,1332, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  88 ASP  HB3    89 ILE  HN      3.70
 &rst iat=1324,1332, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  88 ASP  HA    109 THR  HN      5.33
 &rst iat=1321,1638, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  88 ASP  HN    137 VAL  HN      4.00
 &rst iat=1319,2071, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  88 ASP  HN    137 VAL  MG2     5.10
 &rst iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HN     89 ILE  HB      3.70
 &rst iat=1332,1336, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  89 ILE  HN     89 ILE  MG      4.00
 &rst iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA     90 THR  HN      3.70
 &rst iat=1334,1351, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  89 ILE  MG     90 THR  HN      4.00
 &rst iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HN    107 ALA  HN      4.00
 &rst iat=1332,1621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  89 ILE  MG    135 TYR  HN      5.00
 &rst iat=  -1,2029, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HN     90 THR  HB      5.00
 &rst iat=1351,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HN     90 THR  MG      4.00
 &rst iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA     91 LYS  HN      3.70
 &rst iat=1353,1365, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  90 THR  HB     91 LYS  HN      5.00
 &rst iat=1355,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HN    136 TYR  HA      5.00
 &rst iat=1351,2052, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HN    137 VAL  MG2     6.15
 &rst iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HN     91 LYS  HB3     3.00
 &rst iat=1365,1370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  91 LYS  HN     91 LYS  QPG     5.00
 &rst iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HN     92 LYS  HN      4.00
 &rst iat=1365,1387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
##  91 LYS  QPG    93 GLY  HN      5.14 3/25/96.
## &rst iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
## igr1=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  92 LYS  HN     91 LYS  HB2     5.00
 &rst iat=1387,1369, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS  HN     92 LYS  QPG     5.00
 &rst iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1394,1395,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  92 LYS  HA     93 GLY  HN      3.00 3/25/96.
## &rst iat=1389,1409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92 LYS  QPB    93 GLY  HN      5.00
 &rst iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1391,1392,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  93 GLY  HN     93 GLY  HA2     3.70
 &rst iat=1409,1411, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  94 PRO  HA     96 TYR  HN      3.70
 &rst iat=1426,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  95 CPRO HA     96 TYR  HN      3.70
 &rst iat=1440,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  95 CPRO QPB    96 TYR  HN      5.00
 &rst iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1437,1438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HN     96 TYR  HB2     3.00
 &rst iat=1444,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  96 TYR  HN     96 TYR  HB3     5.00
 &rst iat=1444,1449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 TYR  HN     96 TYR  CG      5.00
 &rst iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HA     97 ALA  HN      3.00
 &rst iat=1446,1465, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  96 TYR  HB2    97 ALA  HN      3.70
 &rst iat=1448,1465, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  96 TYR  HB3    97 ALA  HN      5.00
 &rst iat=1449,1465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 TYR  CG     97 ALA  HN      6.20
 &rst iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HN     97 ALA  HN      5.00
 &rst iat=1444,1465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 ALA  HN     97 ALA  MB      3.00
 &rst iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  HA     98 VAL  HN      3.70
 &rst iat=1467,1475, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  97 ALA  MB     98 VAL  HN      3.70
 &rst iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  MB     99 MET  HN      3.70
 &rst iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HN     98 VAL  HB      3.00
 &rst iat=1475,1479, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  98 VAL  HN     98 VAL  MG2     5.00
 &rst iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HN     99 MET  HN      4.00
 &rst iat=1475,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  98 VAL  MG2    99 MET  HN      5.00
 &rst iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HN    145 ALA  MB      5.23
 &rst iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HN     99 MET  QPB     5.00
 &rst iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1495,1496,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HN     99 MET  ME      5.00
 &rst iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1504,1505,1506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HN     99 MET  QPG     5.00
 &rst iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA    101 VAL  HN      3.00
 &rst iat=1520,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101 VAL  HN    101 VAL  HB      3.00
 &rst iat=1524,1528, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101 VAL  HN    101 VAL  MG1     4.00
 &rst iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1530,1531,1532,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HN    101 VAL  MG2     4.00
 &rst iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1534,1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HA    102 ILE  HN      3.70
 &rst iat=1526,1540, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 101 VAL  HN    102 ILE  HN      5.00
 &rst iat=1524,1540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 VAL  HA    103 ASP  HN      5.00
 &rst iat=1526,1559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 ILE  HN    102 ILE  QPG     4.00
 &rst iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HB    103 ASP  HN      3.70
 &rst iat=1544,1559, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 102 ILE  HN    103 ASP  HN      4.00
 &rst iat=1540,1559, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102 ILE  QPG   103 ASP  HN      5.00
 &rst iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 103 ASP  HN    103 ASP  HB2     3.70
 &rst iat=1559,1563, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 103 ASP  HN    103 ASP  HB3     3.70
 &rst iat=1559,1564, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 104 PRO  HA    105 ILE  HN      3.70
 &rst iat=1582,1586, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 104 PRO  QPB   105 ILE  HN      5.21
 &rst iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  QPB   105 ILE  HN      5.00
 &rst iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 105 ILE  HN    105 ILE  HB      3.00 3/25/96.
## &rst iat=1586,1590, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105 ILE  HN    105 ILE  QPG     5.00
 &rst iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1596,1597,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HN    105 ILE  MG      4.00
 &rst iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HA    106 VAL  HN      3.00
 &rst iat=1588,1605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105 ILE  HB    106 VAL  HN      5.00
 &rst iat=1590,1605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 ILE  MG    106 VAL  HN      4.00
 &rst iat=  -1,1605, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HN    106 VAL  HB      3.70
 &rst iat=1605,1609, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 106 VAL  HN    106 VAL  MG1     4.00
 &rst iat=1605,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1611,1612,1613,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HA    107 ALA  HN      5.00
 &rst iat=1607,1621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL  HB    107 ALA  HN      3.70
 &rst iat=1609,1621, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 106 VAL  HN    107 ALA  HN      4.00
 &rst iat=1605,1621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 106 VAL  MG1   107 ALA  HN      4.00
 &rst iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1611,1612,1613,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HN    107 ALA  MB      3.70
 &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HA    108 GLY  HN      3.70
 &rst iat=1623,1631, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 107 ALA  HN    108 GLY  HN      5.00
 &rst iat=1621,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 ALA  MB    108 GLY  HN      3.70
 &rst iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 107 ALA  HN    105 ILE  MD      4.00 3/25/96.
## &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 108 GLY  HA2   109 THR  HN      5.00
 &rst iat=1633,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 109 THR  HN    109 THR  MG      4.00
 &rst iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  HA    110 GLY  HN      5.00
 &rst iat=1640,1652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 GLY  HA3   111 PHE  HN      5.00
 &rst iat=1655,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 GLY  HA2   111 PHE  HN      5.00
 &rst iat=1654,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 PHE  HN    111 PHE  HB2     3.70
 &rst iat=1659,1663, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 111 PHE  HN    111 PHE  HB3     5.00
 &rst iat=1659,1664, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 PHE  HA    112 SER  HN      3.70
 &rst iat=1661,1679, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 111 PHE  HB3   112 SER  HN      5.00
 &rst iat=1664,1679, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 112 SER  HN    112 SER  HB3     5.00
 &rst iat=1679,1684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 112 SER  HN    112 SER  OG      5.00
 &rst iat=1679,1686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 113 PRO  HA    114 VAL  HN      3.70
 &rst iat=1700,1704, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 113 PRO  QPB   114 VAL  HN      5.00
 &rst iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1697,1698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HN    114 VAL  MG2     3.00
 &rst iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  HA    116 LYS  HN      3.70
 &rst iat=1730,1734, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 LYS  HN    116 LYS  HB2     3.70
 &rst iat=1734,1738, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 LYS  HN    116 LYS  HB3     5.00
 &rst iat=1734,1739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 116 LYS  HA    117 ASP  HN      3.00
 &rst iat=1736,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 116 LYS  HB2   117 ASP  HN      3.70
 &rst iat=1738,1756, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 LYS  HB3   117 ASP  HN      5.00
 &rst iat=1739,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 116 LYS  HN    117 ASP  HN      5.33
 &rst iat=1734,1756, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 116 LYS  HN    119 LYS  HN      5.00
 &rst iat=1734,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASP  HN    117 ASP  QPB     5.24
 &rst iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1760,1761,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 117 ASP  HA    118 GLY  HN      5.00
 &rst iat=1758,1769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASP  HN    118 GLY  HN      5.00
 &rst iat=1756,1769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 118 GLY  HN    119 LYS  HN      5.00
 &rst iat=1769,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HN    119 LYS  HB2     3.70
 &rst iat=1776,1780, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 119 LYS  HN    119 LYS  HB3     5.00
 &rst iat=1776,1781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HN    119 LYS  QPG     5.90
 &rst iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HA    120 PHE  HN      5.00
 &rst iat=1778,1798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HB2   120 PHE  HN      5.00
 &rst iat=1780,1798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HB3   120 PHE  HN      3.70
 &rst iat=1781,1798, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 119 LYS  QPG   120 PHE  HN      5.00
 &rst iat=  -1,1798, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HN    120 PHE  HB2     5.00
 &rst iat=1798,1802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 120 PHE  HN    120 PHE  HB3     5.00
 &rst iat=1798,1803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 120 PHE  HN    120 PHE  CG      5.11
 &rst iat=1798,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 122 TYR  HA    123 THR  HN      3.70
 &rst iat=1827,1846, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 123 THR  HN    123 THR  MG      4.00
 &rst iat=1846,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 123 THR  HA    124 ASP  HN      3.70
 &rst iat=1848,1860, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 124 ASP  HN    124 ASP  HB2     3.70
 &rst iat=1860,1864, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 124 ASP  HN    124 ASP  HB3     5.00
 &rst iat=1860,1865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 124 ASP  HA    125 PHE  HN      3.70
 &rst iat=1862,1873, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 124 ASP  HB3   125 PHE  HN      5.00
 &rst iat=1865,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 PHE  HN    125 PHE  CG      5.00
 &rst iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HA    126 THR  HN      3.70
 &rst iat=1875,1893, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 125 PHE  HB3   126 THR  HN      3.70
 &rst iat=1878,1893, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 126 THR  HN    126 THR  HB      3.70
 &rst iat=1893,1897, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 126 THR  HN    126 THR  MG      5.00
 &rst iat=1893,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 126 THR  HA    127 TRP  HN      3.00
 &rst iat=1895,1907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 126 THR  HB    127 TRP  HN      5.00
 &rst iat=1897,1907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 126 THR  MG    127 TRP  HN      4.00
 &rst iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HN    127 TRP  HB2     5.00
 &rst iat=1907,1911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HN    127 TRP  HB3     3.70
 &rst iat=1907,1912, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 127 TRP  HA    128 HISP HN      3.00
 &rst iat=1909,1931, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 127 TRP  HE    129 PRO  HA      5.00
 &rst iat=1926,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HE     89 ILE  HB      5.00
 &rst iat=1926,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 128 HISP HN    128 HISP QPB     5.00
 &rst iat=1931,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1935,1936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA    130 THR  HN      3.70
 &rst iat=1959,1963, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 129 PRO  QPB   130 THR  HN      5.39
 &rst iat=  -1,1963, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG   130 THR  HN      5.00
 &rst iat=  -1,1963, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HN    130 THR  MG      4.00
 &rst iat=1963,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1969,1970,1971,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HA    131 ALA  HN      3.00
 &rst iat=1965,1977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 130 THR  MG    131 ALA  HN      4.00
 &rst iat=  -1,1977, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1969,1970,1971,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA    132 GLY  HN      5.00
 &rst iat=2335,1987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 ALA  HN    131 ALA  HA      5.00
 &rst iat=1977,1979, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 ALA  HN    131 ALA  MB      3.00
 &rst iat=1977,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  HA    132 GLY  HN      3.00
 &rst iat=1979,1987, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 131 ALA  MB    132 GLY  HN      3.70
 &rst iat=  -1,1987, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  HN    154 VAL  MG1     5.04
 &rst iat=1977,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 132 GLY  HA3   133 THR  HN      3.70
 &rst iat=1990,1994, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 132 GLY  HA2   133 THR  HN      3.70
 &rst iat=1989,1994, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 132 GLY  HA2   154 VAL  HN      5.69
 &rst iat=1989,2317, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 132 GLY  HN    154 VAL  HB      3.70
 &rst iat=1987,2321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 132 GLY  HN    154 VAL  MG1     5.00
 &rst iat=1987,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 132 GLY  HN    154 VAL  MG2     5.78
 &rst iat=1987,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HN    133 THR  MG      5.00
 &rst iat=1994,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA    134 TYR  HN      3.70
 &rst iat=1996,2008, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 133 THR  MG    134 TYR  HN      4.00
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA    154 VAL  HN      5.05
 &rst iat=1996,2317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 134 TYR  HN    134 TYR  HB2     5.00
 &rst iat=2008,2012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HN    134 TYR  CG      5.00
 &rst iat=2008,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  HA    135 TYR  HN      5.00
 &rst iat=2010,2029, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HB2   135 TYR  HN      5.00
 &rst iat=2012,2029, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HB3   135 TYR  HN      3.70
 &rst iat=2013,2029, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 134 TYR  HN    152 ILE  HB      5.00
 &rst iat=2008,2286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HN    152 ILE  HN      5.99
 &rst iat=2008,2282, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,  &end
#
# 135 TYR  HN    135 TYR  HB2     5.00
 &rst iat=2029,2033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 135 TYR  HA    136 TYR  HN      3.70
 &rst iat=2031,2050, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 135 TYR  HB2   136 TYR  HN      5.16
 &rst iat=2033,2050, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 135 TYR  HB3   136 TYR  HN      5.00
 &rst iat=2034,2050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TYR  HN    136 TYR  HB3     5.00
 &rst iat=2050,2055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TYR  HA    137 VAL  HN      3.70
 &rst iat=2052,2071, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 136 TYR  HB2   137 VAL  HN      5.00
 &rst iat=2054,2071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TYR  HN    150 GLY  HN      4.00
 &rst iat=2050,2253, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 137 VAL  HN    137 VAL  HB      5.00
 &rst iat=2071,2075, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 137 VAL  HN    137 VAL  MG2     4.00
 &rst iat=2071,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA    138 CYS  HN      3.70
 &rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 137 VAL  HB    138 CYS  HN      3.70
 &rst iat=2075,2087, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 137 VAL  MG2   138 CYS  HN      4.00
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN    138 CYS  HB2     3.70
 &rst iat=2087,2091, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 138 CYS  HN    138 CYS  HB3     5.00
 &rst iat=2087,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HA    139 GLN  HN      3.70
 &rst iat=2089,2099, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 139 GLN  HNE1  139 GLN  HB3     6.97
 &rst iat=2111,2104, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
# 139 GLN  HNE2  139 GLN  HB3     5.84
 &rst iat=2112,2104, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
# 139 GLN  HN    139 GLN  HB2     3.70
 &rst iat=2099,2103, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 139 GLN  HN    139 GLN  HB3     3.70
 &rst iat=2099,2104, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 139 GLN  HB2   140 ILE  HN      5.00
 &rst iat=2103,2116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 139 GLN  HNE1  105 ILE  MD      5.16
 &rst iat=2111,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 139 GLN  HN    140 ILE  HN      4.00
 &rst iat=2099,2116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 140 ILE  HN    140 ILE  QPG     4.00
 &rst iat=2116,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HN    140 ILE  MG      5.00
 &rst iat=2116,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HN    143 HISP HB2     3.70
 &rst iat=2156,2160, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 143 HISP HN    143 HISP HB3     5.00
 &rst iat=2156,2161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 143 HISP HN    143 HISP HD      4.00
 &rst iat=2156,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 143 HISP HB2   144 ALA  HN      5.13
 &rst iat=2160,2173, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 143 HISP HN    144 ALA  HN      5.00
 &rst iat=2156,2173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 144 ALA  HN    144 ALA  MB      3.70
 &rst iat=2173,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  HN    145 ALA  HN      4.00
 &rst iat=2173,2183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 145 ALA  HN    145 ALA  MB      3.00
 &rst iat=2183,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 145 ALA  HN    146 THR  HN      4.00
 &rst iat=2183,2193, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 146 THR  HN    146 THR  HB      5.00
 &rst iat=2193,2197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 146 THR  HN    146 THR  MG      4.00
 &rst iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 146 THR  HN    147 GLY  HN      4.00
 &rst iat=2193,2207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 146 THR  HN    148 MET  HN      5.00
 &rst iat=2193,2214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 GLY  HN    148 MET  HN      4.00
 &rst iat=2207,2214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 148 MET  HN    148 MET  HB3     3.70
 &rst iat=2214,2219, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 148 MET  HA    149 PHE  HN      3.70
 &rst iat=2216,2233, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 149 PHE  HN    149 PHE  HB3     5.00
 &rst iat=2233,2238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 149 PHE  HN    149 PHE  CG      5.00
 &rst iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  HA    150 GLY  HN      5.00
 &rst iat=2235,2253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 149 PHE  HB3   150 GLY  HN      5.00
 &rst iat=2238,2253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 149 PHE  CG    150 GLY  HN      6.36
 &rst iat=  -1,2253, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 150 GLY  HA3   151 LYS  HN      3.70
 &rst iat=2256,2260, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 150 GLY  HA2   151 LYS  HN      3.70
 &rst iat=2255,2260, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 151 LYS  HN    151 LYS  HB2     3.70
 &rst iat=2260,2264, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 151 LYS  HN    151 LYS  HB3     3.70
 &rst iat=2260,2265, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 151 LYS  HN    151 LYS  QPG     5.00
 &rst iat=2260,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  QPG   152 ILE  HN      5.00
 &rst iat=  -1,2282, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HN    152 ILE  MG      4.00
 &rst iat=2282,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HA    153 VAL  HN      3.70
 &rst iat=2284,2301, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 153 VAL  HN    153 VAL  HB      3.70
 &rst iat=2301,2305, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 153 VAL  HN    153 VAL  MG2     4.00
 &rst iat=2301,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HA    154 VAL  HN      5.00
 &rst iat=2303,2317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 153 VAL  MG2   154 VAL  HN      4.50  (## loosened from 4A 2/9/96.)
 &rst iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HN    154 VAL  HB      3.70
 &rst iat=2317,2321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 154 VAL  HN    154 VAL  MG1     7.61
 &rst iat=2317,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HN    154 VAL  MG2     4.00
 &rst iat=2317,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HA    155 LYS  HN      3.00
 &rst iat=2319,2333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 154 VAL  HN    155 LYS  HN      5.54
 &rst iat=2317,2333, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
# 155 LYS  HN    155 LYS  QPB     5.00
 &rst iat=2333,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HN    155 LYS  QPG     5.00
 &rst iat=2333,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2340,2341,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   2 THR  HA        2 THR  MG     5.50
 &rst iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  15,  16,  17,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   2 THR  HB        2 THR  HA     3.50
 &rst iat=  13,  11, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   2 THR  HB        2 THR  MG     4.50
 &rst iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  15,  16,  17,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   2 THR  HB        5 THR  MG     5.50
 &rst iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HA        3 LEU  HB3    3.50
 &rst iat=  25,  28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 LEU  HA        3 LEU  MD1    5.50
 &rst iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HA        3 LEU  MD2    5.50
 &rst iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB2       3 LEU  HA     4.50
 &rst iat=  27,  25, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   3 LEU  HG        3 LEU  HB3    3.50
 &rst iat=  30,  28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 LEU  HG        3 LEU  MD2    5.50
 &rst iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD1       3 LEU  HB2    4.50
 &rst iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD1       3 LEU  HB3    5.50
 &rst iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD2       3 LEU  HB2    5.50
 &rst iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD2       3 LEU  HB3    5.50
 &rst iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HG      107 ALA  HA     5.50
 &rst iat=  30,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 LEU  MD1     107 ALA  HA     5.82
 &rst iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB3     109 THR  HA     4.50
 &rst iat=  28,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   3 LEU  MD1     109 THR  HA     5.63
 &rst iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB2     110 GLY  HA3    4.50
 &rst iat=  27,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   3 LEU  HB3     110 GLY  HA3    3.50
 &rst iat=  28,1655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 LEU  MD1     110 GLY  HA3    5.59
 &rst iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  HA        4 ASP  QPB    5.50
 &rst iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  HA      109 THR  HA     4.50
 &rst iat=  44,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   4 ASP  HA      109 THR  MG     5.50
 &rst iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  QPB     109 THR  HA     5.50
 &rst iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 THR  HA        5 THR  MG     5.50
 &rst iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 THR  HB        5 THR  MG     5.50
 &rst iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HA        6 THR  MG     5.50
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HB        6 THR  HA     3.50
 &rst iat=  73,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 THR  HB        6 THR  MG     4.50
 &rst iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  MG      124 ASP  HB2    4.50
 &rst iat=  -1,1864, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  MG      124 ASP  HB3    5.50
 &rst iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HB      125 PHE  HA     3.50
 &rst iat=  73,1875, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 THR  MG      125 PHE  HB3    5.50
 &rst iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HA        7 TRP  HB3    4.50
 &rst iat=  85,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HA        7 TRP  HE     5.50
 &rst iat=  85, 102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
##   7 TRP  HD      109 THR  HB     4.50 3/25/96.
## &rst iat=  91,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HZ2     109 THR  MG     5.50
 &rst iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HB2     113 PRO  QPD    4.50
 &rst iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HA      123 THR  HA     4.50
 &rst iat=  85,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HA      123 THR  HB     4.50
 &rst iat=  85,1850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HA      123 THR  MG     5.68
 &rst iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##   7 TRP  HE      123 THR  MG     5.59 3/25/96.
## &rst iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA        8 LYS  HB2    4.50
 &rst iat= 109, 111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   8 LYS  HA        8 LYS  HB3    3.50
 &rst iat= 109, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   8 LYS  HA        8 LYS  QPE    5.50
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 120, 121,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA        8 LYS  QPG    4.50
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 114, 115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HB3       8 LYS  QPE    4.50
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 120, 121,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA      113 PRO  QPG    4.50
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1694,1695,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HA        9 GLU  QPB    5.50
 &rst iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HA       10 ALA  HN     4.20
 &rst iat= 131, 145, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   9 GLU  QPG     119 LYS  QPD    5.71
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 136, 137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1786,1787,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  QPB     120 PHE  HB2    4.50
 &rst iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  QPB     120 PHE  HB3    5.00  (## loosened from 4.5A 2/9/96.)
 &rst iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HA       10 ALA  MB     3.50
 &rst iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB       14 GLN  HA     4.50  (## loosened from 3.5A 2/9/96.)
 &rst iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB       14 GLN  HB3    3.50
 &rst iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB       14 GLN  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      120 PHE  HB2    3.50
 &rst iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      120 PHE  HB3    3.50
 &rst iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HA      122 TYR  CZ     6.78
 &rst iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      122 TYR  CG     5.75
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      122 TYR  CZ     5.59
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HA       11 THR  MG     5.50
 &rst iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 161, 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HB       11 THR  HA     4.50
 &rst iat= 159, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HB       11 THR  MG     5.50
 &rst iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 161, 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HB       13 PRO  QPD    5.50
 &rst iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HB      118 GLY  HA3    4.50
 &rst iat= 159,1772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HA      119 LYS  HA     4.50
 &rst iat= 157,1778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HA      119 LYS  HB3    4.50
 &rst iat= 157,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HB      119 LYS  HA     3.50
 &rst iat= 159,1778, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 LEU  HA       12 LEU  QQD    6.04
 &rst iat= 171, 175, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,  &end
#
#  12 LEU  HB2      12 LEU  HG     4.50
 &rst iat= 173, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 LEU  HB3      12 LEU  HA     4.50
 &rst iat= 174, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 LEU  QQD      12 LEU  HA     5.50
 &rst iat= 175, 171, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HB2    5.54
 &rst iat= 175, 173, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,  &end
#
#  12 LEU  QQD      12 LEU  HB3    5.50
 &rst iat= 175, 174, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HG     5.50
 &rst iat= 175, 176, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HB2    5.50
 &rst iat= 175, 173, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HB3    5.50
 &rst iat= 175, 174, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HG     5.50
 &rst iat= 175, 176, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  HB2      13 PRO  QPD    5.50
 &rst iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HB3      13 PRO  QPD    5.50
 &rst iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HG       13 PRO  HA     4.50
 &rst iat= 176, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 LEU  QQD      13 PRO  HA     7.07
 &rst iat= 175, 198, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,  &end
#
#  12 LEU  QQD      13 PRO  QPD    7.99
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=10.79, r4=11.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HA       15 VAL  MG2    5.50
 &rst iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD      15 VAL  HB     6.18
 &rst iat= 175, 223, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,  &end
#
#  12 LEU  QQD      15 VAL  MG1    7.09
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD      15 VAL  HB     6.81
 &rst iat= 175, 223, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,  &end
#
#  12 LEU  QQD      16 LYS  QPE    8.24
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD      16 LYS  QPG    7.88
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD     117 ASP  HA     7.39
 &rst iat= 175,1758, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,  &end
#
#  12 LEU  QQD     120 PHE  HZ     7.31
 &rst iat= 175,1810, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,  &end
#
#  13 PRO  HA       13 PRO  QPB    4.50
 &rst iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  HA       13 PRO  QPG    5.50
 &rst iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPB      13 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPD      13 PRO  HA     5.50
 &rst iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPD      13 PRO  QPB    5.67
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPD      13 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPB      16 LYS  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 245, 246,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HA       14 GLN  HB2    4.50
 &rst iat= 204, 206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 GLN  HA       14 GLN  HB3    3.50
 &rst iat= 204, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 GLN  HA       14 GLN  QPG    4.50
 &rst iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HA       17 ALA  MB     3.50
 &rst iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB3      17 ALA  MB     3.50
 &rst iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  QPG      17 ALA  MB     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HA       18 MET  ME     4.50
 &rst iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB2      18 MET  ME     3.50
 &rst iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB3      18 MET  ME     3.50
 &rst iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB2     120 PHE  HB3    4.50
 &rst iat= 206,1803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 VAL  HA       15 VAL  HB     4.50
 &rst iat= 221, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 VAL  HA       15 VAL  MG1    5.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HA       15 VAL  MG2    5.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG1      15 VAL  HB     5.50
 &rst iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2      15 VAL  HB     5.50
 &rst iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2      15 VAL  HN     5.98
 &rst iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HA       18 MET  HB2    4.50
 &rst iat= 221, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 VAL  HA       18 MET  HB3    3.50 ## loosened 3/25/96.
 &rst iat= 221, 272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 VAL  HA       18 MET  ME     3.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2      18 MET  ME     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG1      43 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  15 VAL  HA       77 ILE  HB     3.50 3/25/96.
## &rst iat= 221,1157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 VAL  HA       77 ILE  MD     5.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  15 VAL  HA      120 PHE  HB3    3.50 3/25/96.
## &rst iat= 221,1803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 VAL  MG2     120 PHE  CG     7.29
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2     120 PHE  HZ     5.85
 &rst iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA       16 LYS  HB2    3.50
 &rst iat= 237, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LYS  HA       16 LYS  QPD    4.50
 &rst iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 245, 246,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HB3      16 LYS  HA     3.50
 &rst iat= 240, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LYS  QPE      16 LYS  HB2    4.50
 &rst iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPE      16 LYS  HB3    4.50
 &rst iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPE      16 LYS  QPD    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 245, 246,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPE      16 LYS  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPG      16 LYS  HA     5.50
 &rst iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA       16 LYS  QPG    4.50
 &rst iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA       19 LEU  QQD    6.44
 &rst iat= 237, 292, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,  &end
#
#  16 LYS  HA       19 LEU  QQD    6.35
 &rst iat= 237, 292, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,  &end
#
#  17 ALA  HA       17 ALA  MB     3.50
 &rst iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  MB       18 MET  HN     4.20
 &rst iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  HA       20 GLU  HB2    4.50
 &rst iat= 259, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  17 ALA  HA       20 GLU  QPG    5.50
 &rst iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  17 ALA  MB       20 GLU  HB3    4.50 3/25/96.
## &rst iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
## igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  MB       20 GLU  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       18 MET  HB2    4.50
 &rst iat= 269, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 MET  HA       18 MET  QPG    5.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  HA     4.50
 &rst iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  HB2    3.50
 &rst iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  HB3    3.50
 &rst iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  QPG      18 MET  HB3    4.50
 &rst iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       21 LYS  QPD    4.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 331, 332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       21 LYS  QPG    5.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       41 VAL  MG1    5.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HB2      41 VAL  MG1    5.50
 &rst iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HB3      41 VAL  MG2    5.50
 &rst iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       41 VAL  MG1    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  QPG      41 VAL  MG2    6.51
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 LEU  HA       19 LEU  HB2    4.50
 &rst iat= 288, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  19 LEU  HA       19 LEU  HB3    4.50
 &rst iat= 288, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  19 LEU  HA       19 LEU  QQD    5.50
 &rst iat= 288, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  HB2      19 LEU  QQD    5.66
 &rst iat= 290, 292, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,  &end
#
#  19 LEU  HB2      19 LEU  QQD    5.63
 &rst iat= 290, 292, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,  &end
#
#  19 LEU  HB3      19 LEU  QQD    5.50
 &rst iat= 291, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  HG       19 LEU  QQD    5.50
 &rst iat= 293, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  HG       19 LEU  QQD    5.50
 &rst iat= 293, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  QQD      19 LEU  HB3    5.50
 &rst iat= 292, 291, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  QQD      19 LEU  HN     6.50
 &rst iat= 292, 286, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20,  &end
#
#  19 LEU  QQD      19 LEU  HA     5.98
 &rst iat= 292, 288, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,  &end
#
#  19 LEU  HA       41 VAL  MG1    5.50
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 LEU  HA       41 VAL  MG2    5.80
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  HA       20 GLU  HB2    3.50
 &rst iat= 307, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 GLU  HA       20 GLU  HB3    3.50
 &rst iat= 307, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 GLU  HA       20 GLU  QPG    4.50
 &rst iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  QPG      20 GLU  HB2    4.50
 &rst iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  HA       21 LYS  HN     5.50
 &rst iat= 307, 321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 LYS  HA       21 LYS  QPB    4.50
 &rst iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  HA       21 LYS  QPG    4.50
 &rst iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  QPG      21 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  QPE      22 ASP  HN     5.50
 &rst iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  QPB      41 VAL  MG2    6.08
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HA       22 ASP  QPB    5.50
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HA       41 VAL  MG2    5.50
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  QPB      41 VAL  MG2    6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HA       23 THR  MG     5.50
 &rst iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HB       23 THR  HA     4.50
 &rst iat= 360, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  23 THR  HB       23 THR  MG     5.50
 &rst iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  MG       38 VAL  HA     5.50
 &rst iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  MG       39 HISP HB2    5.50
 &rst iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  MG       39 HISP HB3    5.50
 &rst iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA3      25 LYS  HN     5.50
 &rst iat= 373, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 GLY  HA3      31 VAL  MG1    5.50
 &rst iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA2      31 VAL  MG1    5.50
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA3      33 TYR  HA     4.50
 &rst iat= 373, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  24 GLY  HA2      33 TYR  HA     4.50
 &rst iat= 372, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  25 LYS  HA       25 LYS  QPB    4.50
 &rst iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPE      25 LYS  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 390, 391,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPE      25 LYS  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 390, 391,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPG      25 LYS  HA     4.50
 &rst iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPG      25 LYS  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPB      32 THR  HB     5.50
 &rst iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       26 VAL  HB     3.50
 &rst iat= 401, 403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 VAL  HA       26 VAL  MG1    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       26 VAL  MG2    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HB       26 VAL  MG1    4.50
 &rst iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG2      26 VAL  HB     4.50
 &rst iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       31 VAL  MG1    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       31 VAL  MG2    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HB       31 VAL  MG2    5.50
 &rst iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG1      31 VAL  HA     5.50
 &rst iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG1      59 LYS  QPE    5.81
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG2      59 LYS  QPG    5.68
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  QPB      27 SER  HA     4.50
 &rst iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 419, 420,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  HA       30 THR  HB     4.50
 &rst iat= 417, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER  QPB      30 THR  MG     5.67
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 419, 420,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  HA       29 ASP  QPB    5.50
 &rst iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 437, 438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  QPB      59 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 437, 438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  HA       62 PRO  QPB    5.50
 &rst iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       30 THR  MG     5.50
 &rst iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HB       30 THR  HA     4.50
 &rst iat= 450, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 THR  HB       30 THR  MG     4.50
 &rst iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       31 VAL  HN     4.20
 &rst iat= 448, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  30 THR  MG       31 VAL  HN     5.50
 &rst iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       62 PRO  HA     4.50
 &rst iat= 448, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 THR  HA       62 PRO  QPB    5.50
 &rst iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       63 THR  HB     4.50
 &rst iat= 448, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 THR  HB       63 THR  MG     4.50
 &rst iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  MG       63 THR  HA     5.50
 &rst iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  MG       63 THR  HB     4.50
 &rst iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA       31 VAL  MG1    5.50
 &rst iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA       31 VAL  MG2    5.50
 &rst iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG1      31 VAL  HB     5.50
 &rst iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      31 VAL  HB     5.50
 &rst iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA       32 THR  HN     4.20
 &rst iat= 462, 476, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  31 VAL  MG1      56 VAL  MG1    7.08
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG1      57 HISP HD     5.69
 &rst iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG1      57 HISP QPB    5.97
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      57 HISP QPB    5.98
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      58 ASP  HA     5.62
 &rst iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HB       59 LYS  QPE    5.50
 &rst iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HB       59 LYS  QPG    4.50
 &rst iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      59 LYS  QPB    5.53
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      59 LYS  QPG    5.84
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HB       64 LEU  QQD    5.97
 &rst iat= 464, 971, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,  &end
#
#  31 VAL  MG1      64 LEU  QQD    7.88
 &rst iat=  -1, 971, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  QQD      64 LEU  HG     5.50
 &rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  31 VAL  MG2      64 LEU  QQD    7.28
 &rst iat=  -1, 971, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      31 VAL  HN     5.79  (## changed from E65 HN 2/9/96.)
 &rst iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA       32 THR  MG     5.50
 &rst iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HB       32 THR  HA     4.50
 &rst iat= 480, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 THR  HB       32 THR  HN     5.50
 &rst iat= 480, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 THR  MG       32 THR  HB     4.50
 &rst iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA       33 TYR  HN     4.20
 &rst iat= 478, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  32 THR  HA       65 GLU  HB2    3.50
 &rst iat= 478, 988, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 THR  HA       65 GLU  HB3    4.50
 &rst iat= 478, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 THR  MG       65 GLU  HA     5.50
 &rst iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       65 GLU  HB2    4.50
 &rst iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       65 GLU  HB3    4.50
 &rst iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       65 GLU  QPG    5.82
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 991, 992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       67 PRO  QPD    5.55
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HA       33 TYR  CG     6.01
 &rst iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HA       33 TYR  QPB    4.50
 &rst iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HA       38 VAL  MG2    5.50
 &rst iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  CG       38 VAL  MG1    8.42
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      38 VAL  MG1    6.23
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      38 VAL  MG2    6.12
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  CG       66 ILE  MD     7.71
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      66 ILE  HB     5.50
 &rst iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      66 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      67 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      67 PRO  QPD    6.07
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HA       34 SER  QPB    4.50
 &rst iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HA       67 PRO  QPD    5.50
 &rst iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HA       67 PRO  QPG    4.50
 &rst iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA       36 LYS  HB2    3.50
 &rst iat= 531, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 LYS  HA       36 LYS  HB3    3.50
 &rst iat= 531, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 LYS  HA       36 LYS  QPD    5.50
 &rst iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 539, 540,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA       36 LYS  QPG    4.50
 &rst iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 537,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  QPE      36 LYS  HB3    4.50
 &rst iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 542, 543,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA       70 ALA  HA     3.50
 &rst iat= 531,1052, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  36 LYS  HA       70 ALA  MB     3.50
 &rst iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HB2      70 ALA  HA     4.50
 &rst iat= 533,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
##  36 LYS  HB2      70 ALA  MB     3.50 3/25/96.
## &rst iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HB3      70 ALA  HA     4.50
 &rst iat= 534,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  36 LYS  QPD      70 ALA  HA     5.50
 &rst iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 539, 540,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  QPG      70 ALA  HA     5.50
 &rst iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 536, 537,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA       37 THR  MG     5.50
 &rst iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  37 THR  HB       70 ALA  MB     3.50 3/25/96.
## &rst iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA       71 THR  HB     4.50
 &rst iat= 553,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 THR  HA       71 THR  MG     5.50
 &rst iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  MG       71 THR  HB     5.50
 &rst iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HA       38 VAL  HB     3.50
 &rst iat= 567, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HA       38 VAL  MG2    5.50
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG1      38 VAL  HA     5.50
 &rst iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG1      38 VAL  HB     4.50
 &rst iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG2      38 VAL  HB     4.50
 &rst iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HB       66 ILE  MD     5.50
 &rst iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG2      67 PRO  QPD    6.04
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HA       72 VAL  MG1    5.50
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HB       72 VAL  HA     4.50
 &rst iat= 569,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  38 VAL  HB       72 VAL  MG2    5.50
 &rst iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG1      72 VAL  HA     5.50
 &rst iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 HISP HA       39 HISP HB2    4.50
 &rst iat= 583, 585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  39 HISP HA       39 HISP HB3    5.50
 &rst iat= 583, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  39 HISP HA       39 HISP HD     4.50
 &rst iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  39 HISP HA       40 VAL  HN     4.20
 &rst iat= 583, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  39 HISP HA       72 VAL  MG1    5.81
 &rst iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 HISP HA       74 VAL  MG2    6.44  (## changed from V72 MG2 2/9/96.)
 &rst iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 HISP HA       73 ASP  HB2    4.50
 &rst iat= 583,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  39 HISP HA       73 ASP  HB3    4.50
 &rst iat= 583,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  40 VAL  HA       40 VAL  MG1    5.50
 &rst iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HA       40 VAL  MG2    5.50
 &rst iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  MG1      40 VAL  HB     5.50
 &rst iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  MG2      40 VAL  HB     5.50
 &rst iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HA       41 VAL  HN     4.20
 &rst iat= 601, 615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  40 VAL  MG1      64 LEU  QQD    8.79
 &rst iat=  -1, 971, r1= 1.30, r2= 1.80, r3=11.82, r4=12.32,
 igr1= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HB       74 VAL  HA     4.50
 &rst iat= 603,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  41 VAL  HA       41 VAL  HN     4.20
 &rst iat= 617, 615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  41 VAL  HA       41 VAL  MG1    5.50
 &rst iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA       41 VAL  MG2    5.50
 &rst iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  MG1      41 VAL  HB     4.50
 &rst iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  MG2      41 VAL  HB     5.50
 &rst iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA       75 THR  HB     4.50
 &rst iat= 617,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  42 ALA  HA       42 ALA  MB     4.50
 &rst iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HA       43 ALA  HN     4.20
 &rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  42 ALA  MB       43 ALA  HN     5.50
 &rst iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  MB       54 PHE  HB3    4.50
 &rst iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HA       56 VAL  HA     4.50
 &rst iat= 633, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  42 ALA  HA       56 VAL  MG2    5.50
 &rst iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HA       43 ALA  MB     4.50
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  43 ALA  HA       44 ALA  HN     5.50 4/10/96 duplicate.
## &rst iat= 643, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 ALA  MB       77 ILE  HB     3.50
 &rst iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  HA       44 ALA  MB     4.50
 &rst iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB       44 ALA  HN     5.50
 &rst iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  HA       45 VAL  HN     5.50 ## toghtened to 4A 4/10/96.
 &rst iat= 653, 661, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  44 ALA  HA       54 PHE  HA     4.50
 &rst iat= 653, 798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  44 ALA  MB       78 ASN  HA     4.50
 &rst iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB       80 ASN  HB2    4.50
 &rst iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB       80 ASN  HB3    5.50
 &rst iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HA       45 VAL  MG1    5.50
 &rst iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG1      45 VAL  HB     5.50
 &rst iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG2      45 VAL  HA     5.50
 &rst iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG2      45 VAL  HB     5.50
 &rst iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  45 VAL  HA       46 LEU  HN     5.50 double 3/25/96.
## &rst iat= 663, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 VAL  MG2      51 PHE  HA     5.50
 &rst iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG2      52 CPRO HA     5.50
 &rst iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HB       80 ASN  HB2    4.50
 &rst iat= 665,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  46 LEU  HA       46 LEU  HB3    4.50
 &rst iat= 679, 682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  46 LEU  HA       46 LEU  QQD    5.59
 &rst iat= 679, 683, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,  &end
#
#  46 LEU  HB3      46 LEU  QQD    5.50
 &rst iat= 682, 683, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  QQD      46 LEU  HB2    5.56
 &rst iat= 683, 681, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,  &end
#
#  46 LEU  QQD      46 LEU  HG     5.50
 &rst iat= 683, 684, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  QQD      46 LEU  HB2    5.50
 &rst iat= 683, 681, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  QQD      46 LEU  HB3    5.50
 &rst iat= 683, 682, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  HA       47 PRO  QPD    5.50
 &rst iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  HB3      47 PRO  QPD    5.50
 &rst iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  QQD      55 GLU  HB2    6.21
 &rst iat= 683, 820, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,  &end
#
#  44 ALA  MB      148 MET  ME     3.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  HA       47 PRO  QPB    5.50
 &rst iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 703, 704,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  HA       47 PRO  QPG    5.50
 &rst iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  QPD      47 PRO  QPB    5.54
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 703, 704,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  QPD      47 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 PHE  HA       49 PHE  HB2    4.50
 &rst iat= 719, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  49 PHE  HA       49 PHE  HB3    4.50
 &rst iat= 719, 722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  49 PHE  HA       49 PHE  CG     5.50
 &rst iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 PHE  HA       50 PRO  QPB    5.50
 &rst iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 744, 745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 PHE  HA       50 PRO  QPD    5.50
 &rst iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 738, 739,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  HA       50 PRO  QPB    4.50
 &rst iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 744, 745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  HA       50 PRO  QPG    5.50
 &rst iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 741, 742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  QPD      50 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 738, 739,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 741, 742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 PHE  HA       51 PHE  QPB    4.50
 &rst iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 PHE  HA       52 CPRO HA     4.50
 &rst iat= 753, 781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  52 CPRO HA       52 CPRO QPB    5.63
 &rst iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 778, 779,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 CPRO QPD      52 CPRO QPB    6.12
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 772, 773,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 778, 779,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 CPRO QPD      52 CPRO QPG    5.97
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 772, 773,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 775, 776,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 SER  QPB      53 SER  HA     5.50
 &rst iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 789, 790,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 SER  HA       54 PHE  HN     5.50
 &rst iat= 787, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 SER  HA      148 MET  HA     3.50
 &rst iat= 787,2216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  53 SER  HA      148 MET  QPG    5.50
 &rst iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HA       55 GLU  HN     5.50
 &rst iat= 798, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 PHE  HB2      60 LYS  HA     4.50
 &rst iat= 800, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HA       55 GLU  HB2    4.50
 &rst iat= 818, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  HA       55 GLU  HB3    4.50
 &rst iat= 818, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  HA       55 GLU  QPG    5.50
 &rst iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  55 GLU  HA       56 VAL  HN     5.50
 &rst iat= 818, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 GLU  HA       60 LYS  HA     4.50
 &rst iat= 818, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  HB3      60 LYS  HA     4.50
 &rst iat= 821, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  QPG      60 LYS  HA     5.50
 &rst iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  55 GLU  QPG      60 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 914, 915,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HA       56 VAL  HB     4.50
 &rst iat= 834, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  56 VAL  HA       56 VAL  MG1    5.50
 &rst iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HA       56 VAL  MG2    5.50
 &rst iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG1      56 VAL  HB     4.50
 &rst iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG2      56 VAL  HB     5.50
 &rst iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG2      57 HISP HN     6.82
 &rst iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  57 HISP HA       57 HISP QPB    4.50
 &rst iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  58 ASP  QPB      58 ASP  HA     5.50
 &rst iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 870, 871,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HA       59 LYS  QPB    4.50
 &rst iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HA       59 LYS  QPG    5.50
 &rst iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      59 LYS  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      59 LYS  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 889, 890,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      59 LYS  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      62 PRO  QPB    5.52
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HA       60 LYS  HB2    4.50
 &rst iat= 903, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 LYS  HA       60 LYS  QPD    5.50
 &rst iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 911, 912,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HB2      60 LYS  QPG    4.50
 &rst iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 908, 909,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HA       61 ASN  HN     5.50
 &rst iat= 903, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 PRO  HA       62 PRO  QPB    4.50
 &rst iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 PRO  QPD      62 PRO  HA     5.50
 &rst iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 938, 939,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 PRO  QPD      62 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 938, 939,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 PRO  HA       63 THR  HN     5.50
 &rst iat= 947, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 THR  HA       63 THR  HB     4.50
 &rst iat= 953, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  63 THR  HA       64 LEU  HN     4.20
 &rst iat= 953, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  63 THR  MG       64 LEU  HN     5.75
 &rst iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  MG      150 GLY  HA2    5.50
 &rst iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  MG      151 LYS  HA     5.50
 &rst iat=  -1,2262, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  MG      151 LYS  HB3    4.50
 &rst iat=  -1,2265, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  HA      152 ILE  HA     5.50
 &rst iat= 953,2284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 THR  MG      152 ILE  HA     5.50
 &rst iat=  -1,2284, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HA       64 LEU  QQD    6.63
 &rst iat= 967, 971, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,  &end
#
#  64 LEU  HA       64 LEU  QQD    5.96
 &rst iat= 967, 971, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,  &end
#
#  64 LEU  QQD      64 LEU  HG     5.50
 &rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  64 LEU  QQD      64 LEU  HB2    5.95
 &rst iat= 971, 969, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  64 LEU  QQD      64 LEU  HG     5.50
 &rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  64 LEU  HB2     152 ILE  QPG    3.50
 &rst iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HB2     152 ILE  MG     5.50
 &rst iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HB3     152 ILE  MG     5.50
 &rst iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  QQD     152 ILE  QPG    6.35
 &rst iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  QQD     152 ILE  QPG    6.08
 &rst iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  HA       65 GLU  HB2    4.50
 &rst iat= 986, 988, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  65 GLU  HA       65 GLU  HB3    3.50
 &rst iat= 986, 989, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  65 GLU  HA       66 ILE  HN     4.20
 &rst iat= 986,1000, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  65 GLU  HA      153 VAL  MG1    5.89
 &rst iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2307,2308,2309,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  HA      153 VAL  MG2    5.50
 &rst iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  QPG     153 VAL  MG2    5.84
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 991, 992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HA       66 ILE  QPG    3.50
 &rst iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HA       66 ILE  MG     5.50
 &rst iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB       66 ILE  HN     5.50
 &rst iat=1004,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 ILE  HB       66 ILE  MD     5.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB       66 ILE  MG     5.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD       66 ILE  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG       66 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB       67 PRO  QPD    4.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD       67 PRO  QPD    7.15
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  QPG      67 PRO  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG       67 PRO  QPD    6.21
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  QPG      72 VAL  MG2    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG       72 VAL  MG2    5.81
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD      129 PRO  QPG    6.44
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG      129 PRO  QPG    6.24
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD      152 ILE  MG     6.06
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  QPG     152 ILE  MG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB      153 VAL  HB     5.00  (## loosened from 3.5A 2/26/96.)
 &rst iat=1004,2305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66 ILE  HA      154 VAL  MG2    5.50
 &rst iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB      154 VAL  HA     4.50
 &rst iat=1004,2319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  66 ILE  HB      154 VAL  MG1    4.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB      154 VAL  MG2    5.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG      154 VAL  MG2    5.67
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  HA       67 PRO  QPB    5.50
 &rst iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  HA       67 PRO  QPG    5.50
 &rst iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  QPD      67 PRO  QPB    5.77
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  QPD      67 PRO  QPG    5.87
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HA       68 ALA  MB     3.50
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HA      129 PRO  QPG    5.50
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  MB      131 ALA  HA     3.50
 &rst iat=  -1,1979, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HA      154 VAL  MG1    5.50
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  MB      155 LYS  HA     3.50
 &rst iat=  -1,2335, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HA       70 ALA  MB     3.50
 &rst iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HA       71 THR  MG     5.50
 &rst iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HB       71 THR  HA     3.50
 &rst iat=1064,1062, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  71 THR  HB       71 THR  MG     4.50
 &rst iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HA       72 VAL  HN     4.20
 &rst iat=1062,1074, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  71 THR  MG      127 TRP  HA     5.50
 &rst iat=  -1,1909, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA       72 VAL  MG1    5.50
 &rst iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA       72 VAL  MG2    5.50
 &rst iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG1      72 VAL  HB     5.50
 &rst iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2      72 VAL  HB     5.50
 &rst iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA       73 ASP  HN     4.20
 &rst iat=1076,1090, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  72 VAL  MG1      73 ASP  HN     5.50
 &rst iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     127 TRP  HE     5.50
 &rst iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     128 HISP HA     5.77
 &rst iat=  -1,1933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG1     129 PRO  QPG    5.72
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     129 PRO  QPD    6.62
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     129 PRO  QPG    6.11
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ASP  HA       73 ASP  HB2    4.50
 &rst iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  73 ASP  HA       74 VAL  HN     4.20
 &rst iat=1092,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  73 ASP  HA      126 THR  HA     4.50
 &rst iat=1092,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  73 ASP  HA      126 THR  MG     5.50
 &rst iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  HA       74 VAL  HN     4.20
 &rst iat=1105,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  74 VAL  MG2     125 PHE  CZ     7.93
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  MG2     125 PHE  HZ     5.50
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 THR  HA       76 PHE  HN     4.20
 &rst iat=1121,1133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  76 PHE  HB2     122 TYR  HB3    4.50
 &rst iat=1137,1830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  77 ILE  HA       77 ILE  QPG    3.50
 &rst iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HB       77 ILE  MD     4.50
 &rst iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HA       78 ASN  HN     4.20
 &rst iat=1155,1172, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  77 ILE  QPG     120 PHE  HB3    3.50
 &rst iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HA      122 TYR  HA     4.50
 &rst iat=1155,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 ILE  HA      122 TYR  HB2    4.50
 &rst iat=1155,1829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  79 THR  HB      120 PHE  HA     3.50
 &rst iat=1190,1800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 ASN  HA       80 ASN  HB2    4.50
 &rst iat=1202,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  80 ASN  HA       80 ASN  HB3    4.50
 &rst iat=1202,1205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  80 ASN  HB3      85 HISP HD     5.50
 &rst iat=1205,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  81 LYS  HA       81 LYS  QPB    4.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1218,1219,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA       81 LYS  QPG    5.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1221,1222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA      114 VAL  MG2    5.78
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA      115 PRO  QPB    5.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1727,1728,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA      115 PRO  QPD    5.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 GLY  HA2     114 VAL  MG2    5.50
 &rst iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HA       83 PHE  HB2    4.50
 &rst iat=1245,1247, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  83 PHE  HA       83 PHE  HB3    4.50
 &rst iat=1245,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  83 PHE  HA       83 PHE  CZ     5.50
 &rst iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HA      114 VAL  MG2    5.50
 &rst iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HA      140 ILE  MD     5.62
 &rst iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HB3     140 ILE  MD     5.50
 &rst iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  84 GLY  HA2     111 PHE  HB2    4.50 ## loosened 3/25/96.
 &rst iat=1265,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 GLY  HA3     114 VAL  MG2    5.51
 &rst iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  84 GLY  HA2     114 VAL  MG2    5.62
 &rst iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  85 HISP HA       85 HISP HB2    4.50
 &rst iat=1272,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  85 HISP HA       86 SER  HN     4.20
 &rst iat=1272,1288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  85 HISP HB2      86 SER  HN     4.20
 &rst iat=1274,1288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
##  85 HISP HA      110 GLY  HA2    4.50 3/25/96.
## &rst iat=1272,1654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HA      140 ILE  MD     5.50
 &rst iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HB2      86 SER  HA     4.50
 &rst iat=1292,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  86 SER  HB3      86 SER  HA     4.50
 &rst iat=1293,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  86 SER  HA       87 PHE  HN     4.20
 &rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  86 SER  HB2      87 PHE  HN     5.50
 &rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  86 SER  HB2     111 PHE  CZ     6.45
 &rst iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HB3     111 PHE  CZ     6.76
 &rst iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HB2     140 ILE  MD     6.39
 &rst iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  87 PHE  HA       87 PHE  HB2    4.50
 &rst iat=1301,1303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  87 PHE  HA       87 PHE  HB3    4.50
 &rst iat=1301,1304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  87 PHE  HA       87 PHE  HN     5.50
 &rst iat=1301,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 PHE  HA       88 ASP  HN     5.50
 &rst iat=1301,1319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 PHE  HB2     109 THR  MG     5.50
 &rst iat=1303,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3      88 ASP  HA     5.50
 &rst iat=1324,1321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
##  88 ASP  HB2     105 ILE  HB     4.50 3/25/96.
## &rst iat=1323,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  88 ASP  HB2     105 ILE  MD     5.50
 &rst iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB2     105 ILE  MG     5.50
 &rst iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3     105 ILE  MD     5.50
 &rst iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3     105 ILE  MG     5.50
 &rst iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  88 ASP  HA      107 ALA  MB     3.50 3/25/96.
## &rst iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HA      108 GLY  HA3    4.50
 &rst iat=1321,1634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  88 ASP  HA      108 GLY  HA2    4.50
 &rst iat=1321,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  88 ASP  HB2     137 VAL  MG2    5.50
 &rst iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3     137 VAL  MG2    5.50
 &rst iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA       89 ILE  HB     4.50
 &rst iat=1334,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  89 ILE  HA       89 ILE  MG     5.50
 &rst iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MD       89 ILE  HB     5.50
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  QPG      89 ILE  HB     4.50
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG       89 ILE  HB     5.50
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG       89 ILE  MD     6.32
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA       90 THR  HN     4.20
 &rst iat=1334,1351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  89 ILE  HB      105 ILE  MD     5.50
 &rst iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      105 ILE  MG     5.73
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      106 VAL  HB     5.50
 &rst iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      106 VAL  MG2    6.46
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MD      107 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      107 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      125 PHE  CG     7.40
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      127 TRP  HH     6.02
 &rst iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      134 TYR  HB3    5.57
 &rst iat=  -1,2013, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA      136 TYR  HA     4.50
 &rst iat=1334,2052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  89 ILE  HA      136 TYR  QPB    5.50
 &rst iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      136 TYR  QPB    6.07
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA      137 VAL  MG1    5.62
 &rst iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MD      152 ILE  MD     7.13
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      152 ILE  MD     6.53
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      152 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA       90 THR  MG     5.50
 &rst iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HB       90 THR  HA     3.50
 &rst iat=1355,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 THR  HB       90 THR  MG     5.50
 &rst iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG       90 THR  HN     5.73
 &rst iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      102 ILE  HA     5.50
 &rst iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      102 ILE  MG     5.92
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA      105 ILE  HA     5.50
 &rst iat=1353,1588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  90 THR  HB      105 ILE  HB     4.50  ## loosened 3/25/96.
 &rst iat=1355,1590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HB      105 ILE  QPG    4.50
 &rst iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1596,1597,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      105 ILE  HA     5.78
 &rst iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      105 ILE  MD     6.31
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      105 ILE  MG     6.32
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA      106 VAL  HB     4.50
 &rst iat=1353,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  90 THR  HA      106 VAL  MG2    5.50
 &rst iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HB      106 VAL  HB     4.50
 &rst iat=1355,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  90 THR  MG      135 TYR  HB2    5.50
 &rst iat=  -1,2033, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HB      137 VAL  MG2    5.50
 &rst iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      137 VAL  MG1    5.99
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      137 VAL  MG2    6.38
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HA       91 LYS  HB3    3.50
 &rst iat=1367,1370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  91 LYS  HA       91 LYS  QPG    4.50
 &rst iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  QPE      91 LYS  HB2    3.50
 &rst iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1378,1379,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  QPG      91 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1378,1379,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HA      134 TYR  HA     4.50
 &rst iat=1367,2010, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  91 LYS  HA      134 TYR  CG     6.09
 &rst iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HA      135 TYR  HA     4.50
 &rst iat=1367,2031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS  HA       92 LYS  QPB    4.50
 &rst iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1391,1392,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  92 LYS  HA       92 LYS  QPG    4.50
 &rst iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1394,1395,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  92 LYS  QPE      92 LYS  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1400,1401,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1397,1398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  93 GLY  HA3      94 PRO  QPD    5.50
 &rst iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  93 GLY  HA2      94 PRO  QPD    5.50
 &rst iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  HA       94 PRO  QPB    5.50
 &rst iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  QPB      94 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  QPD      94 PRO  QPG    5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  HA       95 CPRO HA     4.50
 &rst iat=1426,1440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  94 PRO  QPB      95 CPRO HA     5.50
 &rst iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  QPD     135 TYR  HB2    5.63
 &rst iat=  -1,2033, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO HA       95 CPRO QPB    5.50
 &rst iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1437,1438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO QPD      95 CPRO QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1431,1432,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1434,1435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO QPG      95 CPRO HA     5.50
 &rst iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1434,1435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO QPG      95 CPRO QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1434,1435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1437,1438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HA       96 TYR  HB2    4.50
 &rst iat=1446,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  96 TYR  HA       96 TYR  HB3    4.50
 &rst iat=1446,1449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  96 TYR  HA       96 TYR  CG     5.50
 &rst iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HA      144 ALA  MB     4.50
 &rst iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HB2     144 ALA  MB     3.50
 &rst iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HB3     144 ALA  MB     4.50
 &rst iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  CG      144 ALA  MB     6.15
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  HA       97 ALA  MB     3.50
 &rst iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  HA      145 ALA  MB     3.50
 &rst iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA       98 VAL  HB     4.50
 &rst iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  98 VAL  HA       98 VAL  MG1    5.50
 &rst iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA       98 VAL  MG2    5.50
 &rst iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HB       98 VAL  MG1    4.50
 &rst iat=1479,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2      98 VAL  HB     4.50
 &rst iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG1     141 PRO  HA     6.02
 &rst iat=  -1,2145, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA      142 GLY  HA3    4.50
 &rst iat=1477,2152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  98 VAL  HA      142 GLY  HA2    4.50
 &rst iat=1477,2151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  98 VAL  MG1     142 GLY  HA3    5.93
 &rst iat=  -1,2152, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG1     142 GLY  HA2    5.50
 &rst iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2     142 GLY  HA2    5.67
 &rst iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA      145 ALA  MB     4.50
 &rst iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HB      145 ALA  MB     4.50
 &rst iat=1479,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG1     145 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2     145 ALA  HA     5.50
 &rst iat=  -1,2185, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2     145 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA       99 MET  QPB    4.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1495,1496,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA       99 MET  ME     4.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1504,1505,1506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA       99 MET  QPG    5.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  ME       99 MET  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1504,1505,1506,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  QPG      99 MET  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1495,1496,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA      100 PRO  QPD    5.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1511,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA      100 PRO  QPB    4.50
 &rst iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1517,1518,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA      100 PRO  QPD    5.50
 &rst iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1511,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPD     100 PRO  QPG    5.58
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1511,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPG     100 PRO  HA     4.50
 &rst iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA      139 GLN  QPG    5.50
 &rst iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPG     139 GLN  HA     4.50
 &rst iat=  -1,2101, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPG     141 PRO  QPD    6.52
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HA      101 VAL  HB     4.50
 &rst iat=1526,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 VAL  HA      101 VAL  MG2    4.50
 &rst iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1534,1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HB      101 VAL  MG2    4.50
 &rst iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1534,1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  MG1     101 VAL  HA     4.50
 &rst iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1530,1531,1532,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HA      102 ILE  HB     3.50
 &rst iat=1542,1544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 102 ILE  HA      102 ILE  MD     5.77
 &rst iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HA      102 ILE  QPG    4.50
 &rst iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HA      102 ILE  MG     5.50
 &rst iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HB      102 ILE  MD     5.50
 &rst iat=1544,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  QPG     102 ILE  HB     4.50
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  QPG     102 ILE  MD     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  QPG     102 ILE  MG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      102 ILE  HB     5.50
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      102 ILE  MD     5.87
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MD      139 GLN  HB3    5.50
 &rst iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MD      139 GLN  QPG    6.27
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      139 GLN  HB2    4.50
 &rst iat=  -1,2103, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      139 GLN  HB3    5.50
 &rst iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MD      139 GLN  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      139 GLN  QPG    6.10
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 103 ASP  HA      103 ASP  HB2    4.50
 &rst iat=1561,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 ASP  HA      103 ASP  HB3    4.50
 &rst iat=1561,1564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 PRO  HA      104 PRO  QPB    4.50
 &rst iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  HA      104 PRO  QPG    5.50
 &rst iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1576,1577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  QPD     104 PRO  QPG    5.55
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1573,1574,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1576,1577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  QPG     104 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1576,1577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HA      105 ILE  HB     4.50
 &rst iat=1588,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 ILE  HA      105 ILE  MG     5.50
 &rst iat=1588,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MD      105 ILE  HA     5.50
 &rst iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      105 ILE  HB     5.50
 &rst iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HA      106 VAL  HN     5.50
 &rst iat=1588,1605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 ILE  MG      106 VAL  HN     5.50
 &rst iat=  -1,1605, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      106 VAL  MG2    6.28
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      107 ALA  HN     5.50
 &rst iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      137 VAL  MG2    5.94
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HA      106 VAL  HB     3.50
 &rst iat=1607,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 106 VAL  HA      106 VAL  MG2    4.50
 &rst iat=1607,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HB      106 VAL  MG1    5.50
 &rst iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1611,1612,1613,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  MG2     106 VAL  HB     4.50
 &rst iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HA      107 ALA  HN     5.50
 &rst iat=1623,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 107 ALA  HA      107 ALA  MB     3.50
 &rst iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      125 PHE  CG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      125 PHE  CZ     5.71
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      127 TRP  HB2    3.50
 &rst iat=  -1,1911, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      127 TRP  HB3    3.50 ## loosened 3/25/96.
 &rst iat=  -1,1912, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  HA      109 THR  MG     5.50
 &rst iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  HB      109 THR  HA     4.50
 &rst iat=1642,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 109 THR  HB      109 THR  MG     5.50
 &rst iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  MG      123 THR  MG     5.99
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HA      111 PHE  HB2    4.50
 &rst iat=1661,1663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 111 PHE  HA      111 PHE  HB3    4.50
 &rst iat=1661,1664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 111 PHE  HA      112 SER  HN     4.20
 &rst iat=1661,1679, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 112 SER  HA      112 SER  HB3    4.50
 &rst iat=1681,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 112 SER  HB2     112 SER  HA     4.50
 &rst iat=1683,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 112 SER  HB3     112 SER  HN     5.50
 &rst iat=1684,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 112 SER  HA      113 PRO  QPD    4.50
 &rst iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 112 SER  HB2     113 PRO  QPD    5.50
 &rst iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  HA      113 PRO  QPB    4.50
 &rst iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1697,1698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  HA      113 PRO  QPD    5.50
 &rst iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  QPD     113 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1697,1698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  QPD     113 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1694,1695,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HA      114 VAL  HB     3.50
 &rst iat=1706,1708, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 114 VAL  HA      114 VAL  MG2    5.50
 &rst iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG1     114 VAL  HB     4.50
 &rst iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1710,1711,1712,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG2     114 VAL  HB     5.50
 &rst iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HA      115 PRO  QPD    5.50
 &rst iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HB      115 PRO  QPD    5.50
 &rst iat=1708,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG1     115 PRO  QPD    6.33
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1=1710,1711,1712,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG2     115 PRO  QPD    6.34
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  HA      115 PRO  QPB    5.50
 &rst iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1727,1728,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  HA      115 PRO  QPG    5.50
 &rst iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1724,1725,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPD     115 PRO  HA     5.50
 &rst iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPD     115 PRO  QPG    5.95
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1724,1725,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 116 LYS  HA      116 LYS  HB2    3.50
 &rst iat=1736,1738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116 LYS  HA      116 LYS  HB3    3.50
 &rst iat=1736,1739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116 LYS  QPE     116 LYS  QPD    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1747,1748,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1744,1745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 116 LYS  QPE     116 LYS  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1747,1748,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1741,1742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 116 LYS  QPG     116 LYS  HA     4.50
 &rst iat=  -1,1736, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1741,1742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 117 ASP  QPB     117 ASP  HA     4.50
 &rst iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1760,1761,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HA      119 LYS  HB2    4.50
 &rst iat=1778,1780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 119 LYS  HA      119 LYS  HB3    4.50
 &rst iat=1778,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 119 LYS  HA      119 LYS  QPG    5.50
 &rst iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HB2     119 LYS  QPG    4.50
 &rst iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HA      120 PHE  HN     5.50
 &rst iat=1778,1798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 120 PHE  HA      120 PHE  HB3    4.50
 &rst iat=1800,1803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 120 PHE  HA      120 PHE  CG     5.50
 &rst iat=1800,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HB3     120 PHE  CZ     5.50
 &rst iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1808,1812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HA      121 GLY  HN     4.20
 &rst iat=1800,1818, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 121 GLY  HA3     122 TYR  HN     5.50
 &rst iat=1821,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 122 TYR  HA      122 TYR  HB2    4.50
 &rst iat=1827,1829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 122 TYR  HA      122 TYR  HB3    4.50
 &rst iat=1827,1830, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 122 TYR  HA      123 THR  HN     5.50
 &rst iat=1827,1846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 123 THR  HA      123 THR  HN     5.50
 &rst iat=1848,1846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 123 THR  HA      123 THR  MG     5.50
 &rst iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 123 THR  HB      123 THR  HA     4.50
 &rst iat=1850,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 123 THR  HB      123 THR  MG     5.50
 &rst iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 123 THR  MG      125 PHE  CG     7.29 3/25/96.
## &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
## igr1=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 124 ASP  HA      124 ASP  HB2    4.50
 &rst iat=1862,1864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 124 ASP  HA      124 ASP  HB3    4.50
 &rst iat=1862,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 124 ASP  HA      125 PHE  HN     4.20
 &rst iat=1862,1873, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 125 PHE  HA      125 PHE  CG     5.50
 &rst iat=1875,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HB2     125 PHE  HA     4.50
 &rst iat=1877,1875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 PHE  HB3     125 PHE  HA     4.50
 &rst iat=1878,1875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 THR  HA      126 THR  MG     5.50
 &rst iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 126 THR  HB      126 THR  HA     4.50
 &rst iat=1897,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 THR  HB      126 THR  HN     5.50
 &rst iat=1897,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 126 THR  HB      126 THR  MG     4.50
 &rst iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 126 THR  HA      127 TRP  HN     4.20
 &rst iat=1895,1907, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 126 THR  MG      127 TRP  HN     5.65
 &rst iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HA      127 TRP  HB2    4.50
 &rst iat=1909,1911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 TRP  HA      127 TRP  HB3    4.50
 &rst iat=1909,1912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 TRP  HA      127 TRP  HD     4.50
 &rst iat=1909,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 TRP  HH      152 ILE  MD     5.61
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH      152 ILE  MG     5.50
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ2     152 ILE  MD     5.50
 &rst iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ2     152 ILE  MG     5.50
 &rst iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 128 HISP HA      128 HISP QPB    4.50
 &rst iat=1933,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1935,1936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA      129 PRO  QPB    5.50
 &rst iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA      129 PRO  QPG    5.50
 &rst iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPD     129 PRO  QPB    6.26
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPD     129 PRO  QPG    5.91
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG     129 PRO  QPB    6.15
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA      154 VAL  MG1    5.50
 &rst iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPB     154 VAL  MG1    5.59
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPB     154 VAL  MG2    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG     154 VAL  MG1    5.75
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG     154 VAL  MG2    6.48
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HB      130 THR  MG     4.50
 &rst iat=1967,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1969,1970,1971,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HA      154 VAL  MG2    5.50
 &rst iat=1965,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      131 ALA  HA     3.50
 &rst iat=  -1,1979, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  HA      154 VAL  HB     3.50
 &rst iat=1979,2321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 131 ALA  HA      154 VAL  MG1    5.50
 &rst iat=1979,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      154 VAL  HB     4.50
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      154 VAL  MG1    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      155 LYS  HA     3.50
 &rst iat=  -1,2335, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      155 LYS  QPB    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 132 GLY  HA2     153 VAL  MG1    4.50
 &rst iat=1989,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2307,2308,2309,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA      133 THR  MG     5.50
 &rst iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HB      133 THR  HA     4.50
 &rst iat=1998,1996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 133 THR  HB      133 THR  MG     5.50
 &rst iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  MG      134 TYR  HN     6.20
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  MG      151 LYS  HA     5.50
 &rst iat=  -1,2262, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA      153 VAL  HA     3.50
 &rst iat=1996,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 134 TYR  HA      134 TYR  HB2    4.50
 &rst iat=2010,2012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 TYR  HA      134 TYR  HB3    4.50
 &rst iat=2010,2013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 TYR  HA      134 TYR  CG     5.50
 &rst iat=2010,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  HA      152 ILE  HB     4.50
 &rst iat=2010,2286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 TYR  HB3     152 ILE  MD     6.01
 &rst iat=2013,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG      152 ILE  MD     8.05
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG      152 ILE  MG     7.59
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG      154 VAL  MG2    6.83
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ      154 VAL  HB     5.80
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 135 TYR  HA      135 TYR  HB3    4.50
 &rst iat=2031,2034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 135 TYR  HA      136 TYR  HN     5.50
 &rst iat=2031,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 135 TYR  HA      151 LYS  HA     4.50
 &rst iat=2031,2262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 135 TYR  CG      151 LYS  QPE    7.79
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.28, r4= 9.78,
 igr1=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2273,2274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA      137 VAL  HB     4.50
 &rst iat=2073,2075, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 137 VAL  HA      137 VAL  MG1    5.50
 &rst iat=2073,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HB      137 VAL  MG2    5.50
 &rst iat=2075,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1     137 VAL  HB     5.50
 &rst iat=  -1,2075, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA      138 CYS  HN     5.50
 &rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 137 VAL  MG1     138 CYS  HN     5.50
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HB      144 ALA  HA     3.50
 &rst iat=2075,2175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 137 VAL  MG1     144 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA      149 PHE  HA     5.50
 &rst iat=2073,2235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 137 VAL  MG1     149 PHE  HA     6.07
 &rst iat=  -1,2235, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1     149 PHE  HB2    5.50
 &rst iat=  -1,2237, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1     149 PHE  HB3    5.50
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HA      139 GLN  HN     5.50
 &rst iat=2089,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 138 CYS  HB2     148 MET  ME     4.50
 &rst iat=2091,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HB3     148 MET  ME     3.50
 &rst iat=2092,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 139 GLN  HA      139 GLN  HB3    3.50
 &rst iat=2101,2104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 139 GLN  QPG     139 GLN  HA     5.50
 &rst iat=  -1,2101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 139 GLN  QPG     139 GLN  HB3    4.50
 &rst iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      140 ILE  MD     5.71
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      140 ILE  QPG    4.50
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      140 ILE  MG     5.79
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MD      140 ILE  HB     4.50
 &rst iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MD      140 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      140 ILE  HB     5.50
 &rst iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      140 ILE  MD     6.13
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      140 ILE  QPG    5.97
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      141 PRO  QPD    5.50
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      141 PRO  QPD    6.68
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MD      143 HISP HE     5.62
 &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 141 PRO  HA      141 PRO  QPB    5.50
 &rst iat=2145,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2142,2143,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 141 PRO  HA      141 PRO  QPG    5.50
 &rst iat=2145,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2139,2140,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 141 PRO  QPD     141 PRO  QPG    5.70
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2139,2140,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 142 GLY  HA2     145 ALA  MB     4.50
 &rst iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HA      143 HISP HB2    4.50
 &rst iat=2158,2160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 143 HISP HA      143 HISP HD     4.50
 &rst iat=2158,2169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
## 143 HISP HA      148 MET  ME     3.50 3/25/96.
## &rst iat=2158,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 143 HISP HA      148 MET  QPG    5.50 3/25/96.
## &rst iat=2158,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  HA      144 ALA  MB     3.50
 &rst iat=2175,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  MB      144 ALA  HN     5.50
 &rst iat=  -1,2173, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  MB      149 PHE  HB2    4.50
 &rst iat=  -1,2237, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  MB      149 PHE  HB3    4.50
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 145 ALA  HA      145 ALA  MB     3.50
 &rst iat=2185,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 145 ALA  MB      145 ALA  HN     5.50
 &rst iat=  -1,2183, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 146 THR  HA      146 THR  MG     5.50
 &rst iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 146 THR  HB      146 THR  HA     3.50
 &rst iat=2197,2195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 146 THR  HB      146 THR  MG     5.50
 &rst iat=2197,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  HA      148 MET  HB2    4.50
 &rst iat=2216,2218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 148 MET  HA      148 MET  QPG    5.50
 &rst iat=2216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  ME      148 MET  HB3    3.50
 &rst iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  ME      148 MET  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  HA      149 PHE  CZ     6.48
 &rst iat=2216,  -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2243,2247,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 148 MET  ME      149 PHE  HN     4.50 3/25/96.
## &rst iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
## igr1=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  HA      149 PHE  HB2    4.50
 &rst iat=2235,2237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 149 PHE  HA      149 PHE  HB3    4.50
 &rst iat=2235,2238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 149 PHE  HA      149 PHE  CG     5.50
 &rst iat=2235,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  HA      150 GLY  HN     5.50
 &rst iat=2235,2253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 150 GLY  HA3     151 LYS  HN     5.50
 &rst iat=2256,2260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
## 150 GLY  HA3      63 THR  MG     4.50 3/25/96.
## &rst iat=2256,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HA      151 LYS  HB2    4.50
 &rst iat=2262,2264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 151 LYS  HA      151 LYS  HB3    3.50
 &rst iat=2262,2265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 151 LYS  HA      151 LYS  QPE    5.50
 &rst iat=2262,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2273,2274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HA      151 LYS  QPG    5.50
 &rst iat=2262,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HB2     151 LYS  QPD    4.50
 &rst iat=2264,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2270,2271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HB2     151 LYS  QPG    4.50
 &rst iat=2264,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HA      152 ILE  HN     4.20
 &rst iat=2262,2282, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 152 ILE  HA      152 ILE  MG     5.50
 &rst iat=2284,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HB      152 ILE  MD     5.50
 &rst iat=2286,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MD      152 ILE  HA     5.95
 &rst iat=  -1,2284, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MD      152 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MG      152 ILE  HB     5.50
 &rst iat=  -1,2286, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MG      152 ILE  MD     6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HA      153 VAL  HN     4.20
 &rst iat=2284,2301, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 152 ILE  MG      153 VAL  HN     6.07
 &rst iat=  -1,2301, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HA      153 VAL  HB     4.50
 &rst iat=2303,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 153 VAL  HA      153 VAL  MG2    5.50
 &rst iat=2303,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HB      153 VAL  MG2    4.50
 &rst iat=2305,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  MG2     153 VAL  HN     5.84
 &rst iat=  -1,2301, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HA      154 VAL  HN     4.20
 &rst iat=2303,2317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 154 VAL  HA      154 VAL  MG1    5.50
 &rst iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HA      154 VAL  MG2    5.50
 &rst iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG1     154 VAL  HB     5.50
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG2     154 VAL  HB     5.50
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG2     154 VAL  HN     6.05
 &rst iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG1     155 LYS  HA     5.50
 &rst iat=  -1,2335, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA      155 LYS  QPB    4.50
 &rst iat=2335,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA      155 LYS  QPD    5.50
 &rst iat=2335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2343,2344,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA      155 LYS  QPG    4.50
 &rst iat=2335,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2340,2341,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  QPB     155 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2346,2347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  QPB     155 LYS  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2340,2341,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HB2    152 ILE  MG      5.00
 &rst iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HN      74 VAL  HA     5.00
 &rst iat= 599,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 154 VAL  HA      66 ILE  HN     5.00
 &rst iat=2319,1000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 142 GLY  HN      98 VAL  HA     5.00
 &rst iat=2149,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 GLY  HN     114 VAL  HB     5.00
 &rst iat=1236,1708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 ALA  HN     105 ILE  MG      5.00
 &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HN      63 THR  MG      5.00
 &rst iat=2260,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  83 PHE  HZ      44 ALA  MB     5.00 4/10/96.
## &rst iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  QQD     19 LEU  QQD     5.00
 &rst iat= 683, 292, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90,  &end
#
#  46 LEU  QQD     43 ALA  MB     5.00
 &rst iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  QQD     55 GLU  HB3     5.00
 &rst iat= 683, 821, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 7 TRP  HH      7 TRP  HZ3     4.00
 &rst iat=  98, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 7 TRP  HZ2   109 THR  HA      5.00
 &rst iat=  96,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7 TRP  HZ2   112 SER  HB3     5.10
 &rst iat=  96,1684, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 7 TRP  HD    113 PRO  QPD     5.03
 &rst iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 7 TRP  HE    123 THR  HB      5.00
 &rst iat= 102,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 7 TRP  HE    123 THR  MG      4.00 3/25/96.
## &rst iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 7 TRP  HH    123 THR  MG      5.00 3/25/96.
## &rst iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 7 TRP  HZ2   123 THR  MG      4.00 3/25/96.
## &rst iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 7 TRP  HZ3   123 THR  MG      4.00
 &rst iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 8 LYS  HB2   122 TYR  CG      6.20
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 8 LYS  HB3   122 TYR  CZ      5.48
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 10 ALA  MB    122 TYR  CG      5.56
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 10 ALA  MB    122 TYR  CZ      5.41
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 12 LEU  HG    120 PHE  HZ      4.00
 &rst iat= 176,1810, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 15 VAL  MG2   120 PHE  HZ      4.00
 &rst iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 21 LYS  HN     41 VAL  MG1     5.00
 &rst iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 22 ASP  QPB    57 HISP HD      5.18
 &rst iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 31 VAL  MG1    57 HISP HD      5.24
 &rst iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 31 VAL  MG2    59 LYS  HN      5.00
 &rst iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 36 LYS  HA     70 ALA  HN      5.00
 &rst iat= 531,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 39 HISP HD     39 HISP HA      4.00
 &rst iat= 595, 583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 39 HISP HA     40 VAL  MG2     5.00
 &rst iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 39 HISP HA     73 ASP  HB2     4.00
 &rst iat= 583,1094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 39 HISP HD     73 ASP  HB2     5.00
 &rst iat= 595,1094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 39 HISP HD     75 THR  HB      5.00
 &rst iat= 595,1123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 42 ALA  MB     87 PHE  HZ      5.00
 &rst iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 43 ALA  HA     77 ILE  MD      5.00
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG1    51 PHE  CG      5.30
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2    51 PHE  CG      5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2    85 HISP HE      5.00
 &rst iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 46 LEU  HB3    49 PHE  CZ      5.84
 &rst iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 727, 731,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  HZ     85 HISP HE      5.00
 &rst iat= 763,1280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 51 PHE  HZ    143 HISP HE      5.00
 &rst iat= 763,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 54 PHE  CG     87 PHE  HA      5.91
 &rst iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HZ    138 CYS  HB3     4.00
 &rst iat= 808,2092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 54 PHE  HZ    138 CYS  HN      5.09
 &rst iat= 808,2087, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
## 54 PHE  CG    148 MET  HB3     5.72 3/25/96.
## &rst iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
## igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG    148 MET  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG    149 PHE  HB2     5.45
 &rst iat=  -1,2237, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 57 HISP HD     57 HISP QPB     5.22
 &rst iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 61 ASN  HB2   149 PHE  CG      5.57
 &rst iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 66 ILE  MD    127 TRP  HE      5.00
 &rst iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 66 ILE  MD    127 TRP  HZ3     5.00
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 67 PRO  QPD    70 ALA  HN      5.00
 &rst iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 70 ALA  HN    129 PRO  QPD     5.65
 &rst iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 71 THR  HA    128 HISP HD      5.00
 &rst iat=1062,1945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 72 VAL  HB    127 TRP  HD      5.00
 &rst iat=1078,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 VAL  HB    127 TRP  HE      4.00
 &rst iat=1078,1926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 72 VAL  MG1   127 TRP  HE      4.00
 &rst iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  MG1   127 TRP  HZ3     5.00
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  MG2   127 TRP  HZ3     5.00
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  HN    128 HISP HD      5.76
 &rst iat=1074,1945, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
# 76 PHE  CG     76 PHE  HZ      5.00
 &rst iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 76 PHE  HA     77 ILE  QPG     5.00
 &rst iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 76 PHE  HN    122 TYR  HA      5.00
 &rst iat=1133,1827, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 ILE  MD    122 TYR  HA      5.00
 &rst iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  QPG   122 TYR  HA      4.00
 &rst iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  HB    120 PHE  HZ      5.50
 &rst iat=1190,1810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 THR  MG    120 PHE  HZ      5.00
 &rst iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 83 PHE  HB2    85 HISP HE      5.00
 &rst iat=1247,1280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 PHE  CG    140 ILE  MD      5.49
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1251,1259,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 83 PHE  HB3   143 HISP HE      5.00 3/25/96.
## &rst iat=1248,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 HISP HA    111 PHE  CZ      6.93
 &rst iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 85 HISP HE    143 HISP HE      5.00 3/25/96.
## &rst iat=1280,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 85 HISP HE    148 MET  HB3     5.50 3/25/96.
## &rst iat=1280,2219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 SER  HA     87 PHE  HN      5.00
 &rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 SER  HB2    87 PHE  HN      5.00
 &rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 SER  HB3    87 PHE  HN      5.00
 &rst iat=1293,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  CG     87 PHE  HZ      5.54
 &rst iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HN     87 PHE  HA      5.00
 &rst iat=1299,1301, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  HN     87 PHE  HB2     3.70
 &rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 87 PHE  HN     87 PHE  HB3     5.00
 &rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  HN     87 PHE  CG      5.14
 &rst iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ     89 ILE  MD      5.89
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HZ     89 ILE  MD      5.21
 &rst iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HZ     89 ILE  QPG     5.06
 &rst iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG    109 THR  MG      6.73
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HN    109 THR  MG      5.00
 &rst iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ    125 PHE  HZ      5.85
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HA    138 CYS  HN      5.00
 &rst iat=1301,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 ILE  MD    125 PHE  HZ      5.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 89 ILE  MG    125 PHE  HZ      5.00 3/25/96.
## &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MG    127 TRP  HH      5.00
 &rst iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MG    127 TRP  HZ2     5.00
 &rst iat=  -1,1920, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MG    127 TRP  HZ3     5.24
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 90 THR  HB    107 ALA  HN      5.00
 &rst iat=1355,1621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 94 PRO  QPB   149 PHE  HZ      5.00
 &rst iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 94 PRO  QPG   149 PHE  HZ      5.50
 &rst iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CG    145 ALA  HA      5.47
 &rst iat=  -1,2185, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CZ    149 PHE  HB3     5.31
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG    107 ALA  HN      4.00
 &rst iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HN    107 ALA  MB      5.00
 &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB    125 PHE  CG      5.56
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB    125 PHE  CZ      5.56
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  MG    125 PHE  HZ      4.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  CG    111 PHE  HA      5.00
 &rst iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HZ    139 GLN  HB2     4.00
 &rst iat=1671,2103, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 111 PHE  HZ    139 GLN  HB3     4.00
 &rst iat=1671,2104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 111 PHE  HZ    140 ILE  HA      5.00
 &rst iat=1671,2118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 122 TYR  HA    122 TYR  HB2     4.00
 &rst iat=1827,1829, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 122 TYR  HA    122 TYR  HB3     4.00
 &rst iat=1827,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 125 PHE  CG    127 TRP  HB3     5.52
 &rst iat=  -1,1912, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HD    127 TRP  HA      4.00
 &rst iat=1915,1909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 127 TRP  HD    127 TRP  HB2     5.00
 &rst iat=1915,1911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HD    127 TRP  HB3     4.00
 &rst iat=1915,1912, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 127 TRP  HZ3   127 TRP  HH      4.00
 &rst iat=1924,1922, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 127 TRP  HZ3   127 TRP  HZ2     5.00
 &rst iat=1924,1920, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HH    134 TYR  CG      5.34
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3   134 TYR  CZ      5.35
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HE    152 ILE  MG      5.04
 &rst iat=1926,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH    152 ILE  MG      4.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3   152 ILE  MD      4.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3   152 ILE  MG      4.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG    134 TYR  HN      5.31
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  HA    135 TYR  CG      5.96
 &rst iat=2010,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG    152 ILE  HB      5.57
 &rst iat=  -1,2286, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG    152 ILE  MG      5.09
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ    154 VAL  HB      5.36
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ    154 VAL  MG1     5.54
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ    154 VAL  MG2     5.13
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 135 TYR  CZ    151 LYS  QPG     6.94
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.33, r4= 8.83,
 igr1=2039,2044,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA    138 CYS  HN      5.00
 &rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HN    138 CYS  HB2     5.00
 &rst iat=2087,2091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HN    138 CYS  HB3     5.00
 &rst iat=2087,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HN    144 ALA  MB      5.00
 &rst iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN    148 MET  QPG     5.00
 &rst iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HB    143 HISP HD      5.00
 &rst iat=2120,2169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 140 ILE  HB    143 HISP HE      5.00
 &rst iat=2120,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 140 ILE  QPG   143 HISP HE      5.00 3/25/96.
## &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
## igr1=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG    143 HISP HD      4.00
 &rst iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG    143 HISP HE      5.00
 &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HD    143 HISP HA      4.00
 &rst iat=2169,2158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 146 THR  HN    146 THR  MG      5.00
 &rst iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 120 PHE  HE      81 LYS  HA     5.00 3/25/96.
## &rst iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
## igr1=1808,1812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HN     90 THR  HB     5.00
 &rst iat=1621,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 ALA  HN     106 VAL  HA     5.00
 &rst iat=1621,1607, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 143 HISP HE      140 ILE  MG      5.00
 &rst iat=2165,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HE      140 ILE  MD      5.00
 &rst iat=2165,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HE      148 MET  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 806, 810,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HE      94 PRO  QPD    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 51 PHE  HE      45 VAL  HB     5.00 3/25/96.
## &rst iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
## igr1= 761, 765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HE      135 TYR  HB2     5.00
 &rst iat=  -1,2033, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 59 LYS  HN     58 ASP  HA     5.00
 &rst iat= 879, 868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 PHE  HE      140 ILE  MD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HE      86 SER  HB3     5.00
 &rst iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HE      140 ILE  HA     5.00
 &rst iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HZ     47 PRO  QPG    5.00
 &rst iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HZ     12 LEU  HB2     5.00
 &rst iat=1810, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7 TRP  HZ2     109 THR  HB     5.00
 &rst iat=  96,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 120 PHE  HZ     47 PRO  QPG    5.00
 &rst iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HD      149 PHE  HB3     5.00
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  HD      52 CPRO HA     5.00
 &rst iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HD      149 PHE  HB3     5.00
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 85 HISP HE      83 PHE  HB3     5.00
 &rst iat=1280,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 85 HISP HE      148 MET  QPG    5.00 3/25/96.
## &rst iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  HD      67 PRO  QPD    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2     125 PHE  HZ     5.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  QPG     125 PHE  HZ     5.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HE      137 VAL  MG1     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HE      72 VAL  MG2     5.00
 &rst iat=1926,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HD      107 ALA  MB     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HZ     89 ILE  HB     5.00
 &rst iat=1885,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 143 HISP HE      140 ILE  MD      5.00
 &rst iat=2165,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HZ     89 ILE  QPG     5.00
 &rst iat=1885,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HE     89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN     148 MET  QPG    5.00
 &rst iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HD      109 THR  MG      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HD      88 ASP  HA     5.00
 &rst iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN     148 MET  HB2     5.00
 &rst iat=2087,2218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  HD      89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3     129 PRO  QPG    5.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3     154 VAL  MG2     5.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HD      96 TYR  HA     5.00
 &rst iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HE      89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH      89 ILE  MG      5.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HE      89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 54 PHE  HZ     148 MET  HB2     5.00 3/25/96.
## &rst iat= 808,2218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HH      152 ILE  QPG     5.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH      129 PRO  QPB    5.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 15 VAL  HB     77 ILE  MD   5.50
 &rst iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HB     74 VAL  MG1  5.00
 &rst iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HB     74 VAL  MG2  5.00
 &rst iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HN     74 VAL  MG2  5.00
 &rst iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HN     74 VAL  HA   5.00
 &rst iat= 599,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 40 VAL  MG2    74 VAL  MG2  5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 43 ALA  MB     77 ILE  MG   5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  MG2    73 ASP  HN   5.00
 &rst iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 73 ASP  HB2   126 THR  MG   5.00
 &rst iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HA     74 VAL  MG1  5.00
 &rst iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HA     74 VAL  MG2  5.00
 &rst iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HB    125 PHE  CG   5.00
 &rst iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HB    125 PHE  CZ   5.00
 &rst iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HN    125 PHE  CG   5.00
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG1    74 VAL  HB   5.00
 &rst iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG1    74 VAL  HN   5.00
 &rst iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2    74 VAL  HB   5.00
 &rst iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2    74 VAL  HN   5.00
 &rst iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2   125 PHE  CZ   5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2   125 PHE  HZ   5.50
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2    75 THR  HN   5.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2   125 PHE  HN   5.50
 &rst iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 75 THR  HA     75 THR  MG   5.00
 &rst iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,1127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 75 THR  HB     75 THR  MG   5.00
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,1127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  HB     77 ILE  MG   5.00
 &rst iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  MD     77 ILE  QPG  5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  MG     77 ILE  QPG  5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 78 ASN  HA     78 ASN  HB2  5.00
 &rst iat=1174,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 78 ASN  HA     78 ASN  HB3  5.00
 &rst iat=1174,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 THR  HA     79 THR  MG   5.00
 &rst iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  HB     79 THR  MG   5.00
 &rst iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  HB    120 PHE  CG   5.00
 &rst iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  MG    114 VAL  HA   5.00
 &rst iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  8 LYS  HB2    122 TYR  CZ     5.00
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  9 GLU  HA     122 TYR  CG     5.50
 &rst iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  9 GLU  HA     122 TYR  CZ     5.50
 &rst iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 10 ALA  HA     122 TYR  CZ     5.50
 &rst iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 12 LEU  HA     120 PHE  CG     5.00
 &rst iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 15 VAL  MG1    120 PHE  CG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 15 VAL  MG2    120 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 18 MET  ME     122 TYR  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 18 MET  ME     122 TYR  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  CG      33 TYR  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  CG      38 VAL  MG2    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  CG      66 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 49 PHE  CG      50 PRO  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 738, 739,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 49 PHE  CG      55 GLU  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 49 PHE  CZ      55 GLU  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 727, 731,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  CG      51 PHE  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  CZ      83 PHE  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 761, 765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  HZ      83 PHE  CZ     5.00
 &rst iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  CZ      85 HISP HE     5.50
 &rst iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 761, 765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG      61 ASN  HA     5.50
 &rst iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     136 TYR  CG     6.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2058,2067,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     136 TYR  CZ     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2060,2065,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     138 CYS  HN     6.00
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CZ     138 CYS  HN     5.00
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 806, 810,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     148 MET  HA     5.00
 &rst iat=  -1,2216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     148 MET  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     149 PHE  HA     5.00
 &rst iat=  -1,2235, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 59 LYS  HN      59 LYS  QPG    5.00
 &rst iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 61 ASN  HB2    136 TYR  CZ     5.50
 &rst iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2060,2065,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2     87 PHE  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 83 PHE  CZ     143 HISP HE     5.50
 &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 86 SER  HA     111 PHE  CG     5.00
 &rst iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 86 SER  HB2    111 PHE  CG     5.00
 &rst iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 86 SER  HB3    111 PHE  CG     5.50
 &rst iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG      89 ILE  MD     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG      89 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ      89 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG     125 PHE  CZ     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ     125 PHE  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ     136 TYR  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG     136 TYR  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HZ     136 TYR  QPB    5.00
 &rst iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MD     125 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 91 LYS  QPG    134 TYR  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 93 GLY  HA2    135 TYR  CG     5.00
 &rst iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 94 PRO  QPD    135 TYR  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CZ     137 VAL  MG1    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CG     144 ALA  MB     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  CZ    140 ILE  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPB   120 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1727,1728,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPG   120 PHE  CG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1724,1725,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPB   134 TYR  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1   149 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  CG    150 GLY  HA2    5.00
 &rst iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 136 TYR  CG    150 GLY  HA2    5.50
 &rst iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=2058,2067,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 136 TYR  CG    152 ILE  MD     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2058,2067,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  MB     76 PHE  CG      6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  CZ      5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  HZ      4.00
 &rst iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HZ     76 PHE  HZ      4.00
 &rst iat= 808,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  HZ     78 ASN  HB3     4.00
 &rst iat=1145,1177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CZ     85 HISP  HB3     5.70
 &rst iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ     86 SER  HA      6.16
 &rst iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG     87 PHE  HB2     5.13
 &rst iat=  -1,1303, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  HZ     87 PHE  HA      4.00
 &rst iat=1145,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CG    109 THR  MG      5.63
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  76 PHE  CG    112 SER  HB2     5.53 3/25/96.
## &rst iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
## igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG    123 THR  MG      5.31
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ    148 MET  ME      5.62
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  MB     76 PHE  CG      6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  CZ      5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  HZ      4.00
 &rst iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HZ     76 PHE  HZ      4.00
 &rst iat= 808,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  HZ     78 ASN  HB3     4.00
 &rst iat=1145,1177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CZ     85 HISP  HB3     5.70
 &rst iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ     86 SER  HA      6.16
 &rst iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG     87 PHE  HB2     5.13
 &rst iat=  -1,1303, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  HZ     87 PHE  HA      4.00
 &rst iat=1145,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CG    109 THR  MG      5.63
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG    112 SER  HB2     5.53
 &rst iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG    123 THR  MG      5.31
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ    148 MET  ME      5.62
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## added 4/10/96 to correct phi angles of V45 and F51.
# 45 VAL  MG1     51 PHE  HA   4.0
 &rst iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG1     51 PHE  QB   4.0
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2     80 ASN  HB2  4.0
 &rst iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2     51 PHE  HD   4.0
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 51 PHE  HZ      85 HISP HN   4.0 4/10/96.
## &rst iat= 763,1270, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
# 45 VAL PHI:  (44 ALA C)-(45 VAL N)-(45 VAL CA)-(45 VAL C) +30.0 +90.0
 &rst     iat =  658,  660,  662,  674,
          r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 =  100.0,      &end



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