NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
11725 1rxr 4153 cing 1-original 2 AMBER distance NOE simple


#   2 THR  H       2 THR  HB      4.50
 &rst iat=  22,  26, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1,
 &end
#
#   3 LYS  H       2 THR  HA      3.50
 &rst iat=  36,  24, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 LYS  H       3 LYS  HB-     4.50
 &rst iat=  36,  -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=  40,  41,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  H       3 LYS  QD      3.50
 &rst iat=  36,  -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=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  H       3 LYS  QG      4.50
 &rst iat=  36,  -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=  43,  44,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 HIS  H       4 HIS  QB      4.50
 &rst iat=  58,  -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=  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  H       4 HIS  QB      5.50
 &rst iat=  75,  -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=  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  H       5 ILE  HA      3.50
 &rst iat=  75,  77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   5 ILE  H       5 ILE  HB      4.50
 &rst iat=  75,  79, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   5 ILE  H       5 ILE  HG1+    4.50
 &rst iat=  75,  -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=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  H       5 ILE  HG1-    3.50
 &rst iat=  75,  -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=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  H       5 ILE  MG2     4.50
 &rst iat=  75,  -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=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 CYS  H       5 ILE  HA      2.50
 &rst iat=  94,  77, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   6 CYS  H       5 ILE  HB      3.50
 &rst iat=  94,  79, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 CYS  H       5 ILE  MG2     3.50
 &rst iat=  94,  -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=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 CYS  H       6 CYS  HA      3.50
 &rst iat=  94,  96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 CYS  H       6 CYS  HB3     3.50
 &rst iat=  94,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 CYS  H       6 CYS  HB2     3.50
 &rst iat=  94,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 CYS  H      10 GLY  HA-     4.50
 &rst iat=  94,  -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= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 CYS  H      11 ASP  H       4.50
 &rst iat=  94, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   6 CYS  H      13 SER  H       4.50
 &rst iat=  94, 186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   6 CYS  H      13 SER  HB+     5.50
 &rst iat=  94,  -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= 190, 191,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  H       6 CYS  HA      2.50
 &rst iat= 104,  96, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   7 ALA  H       6 CYS  HB2     4.50
 &rst iat= 104,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 ALA  H       7 ALA  HA      3.50
 &rst iat= 104, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   7 ALA  H       7 ALA  MB      2.50
 &rst iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  H      20 VAL  MGX     4.50
 &rst iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  H      21 TYR  QB      4.50
 &rst iat= 104,  -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= 302, 303,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  H      22 SER  HA      3.50
 &rst iat= 104, 321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   7 ALA  H      23 CYS  H       5.50
 &rst iat= 104, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 ILE  H       6 CYS  HB3     4.50
 &rst iat= 114,  99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   8 ILE  H       7 ALA  H       3.50
 &rst iat= 114, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   8 ILE  H       7 ALA  HA      3.50
 &rst iat= 114, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   8 ILE  H       7 ALA  MB      3.50
 &rst iat= 114,  -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= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  H       8 ILE  HA      3.50
 &rst iat= 114, 116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   8 ILE  H       8 ILE  HB      3.50
 &rst iat= 114, 118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   8 ILE  H       8 ILE  HG1+    3.50
 &rst iat= 114,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  H       8 ILE  HG1-    3.50
 &rst iat= 114,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  H       8 ILE  MG2     4.50
 &rst iat= 114,  -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= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 CYS  H       6 CYS  HB3     3.50
 &rst iat= 133,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   9 CYS  H       8 ILE  H       3.50
 &rst iat= 133, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   9 CYS  H       8 ILE  HA      4.50
 &rst iat= 133, 116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   9 CYS  H       8 ILE  HB      3.50
 &rst iat= 133, 118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   9 CYS  H       8 ILE  HG1-    4.50
 &rst iat= 133,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 CYS  H       8 ILE  MG2     4.50
 &rst iat= 133,  -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= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 CYS  H       9 CYS  HA      3.50
 &rst iat= 133, 135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   9 CYS  H       9 CYS  HB2     4.50
 &rst iat= 133, 137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   9 CYS  H       9 CYS  HB3     4.50
 &rst iat= 133, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   9 CYS  H      10 GLY  H       3.50
 &rst iat= 133, 143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  10 GLY  H       5 ILE  MG2     5.50
 &rst iat= 143,  -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=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 GLY  H       6 CYS  HB3     3.50
 &rst iat= 143,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  10 GLY  H       6 CYS  HB2     4.50
 &rst iat= 143,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  10 GLY  H       9 CYS  HB3     4.50
 &rst iat= 143, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  10 GLY  H      10 GLY  HA+     3.50
 &rst iat= 143,  -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= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 GLY  H      10 GLY  HA-     2.50
 &rst iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 ASP  H       6 CYS  HB3     3.50
 &rst iat= 150,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP  H       6 CYS  HB2     3.50
 &rst iat= 150,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP  H      10 GLY  H       3.50
 &rst iat= 150, 143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP  H      10 GLY  HA+     4.50
 &rst iat= 150,  -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= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 ASP  H      10 GLY  HA-     4.50
 &rst iat= 150,  -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= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 ASP  H      11 ASP  HB3     3.50
 &rst iat= 150, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP  H      11 ASP  HB2     3.50
 &rst iat= 150, 154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 ARG  H      11 ASP  HB3     4.50
 &rst iat= 162, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 ARG  H      11 ASP  HB2     4.50
 &rst iat= 162, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 ARG  H      12 ARG  HA      3.50
 &rst iat= 162, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 ARG  H      12 ARG  QB      2.50
 &rst iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 166, 167,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 SER  H       5 ILE  HA      3.50
 &rst iat= 186,  77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  13 SER  H       5 ILE  MG2     4.50
 &rst iat= 186,  -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=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 SER  H       6 CYS  HB2     4.50
 &rst iat= 186,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  13 SER  H      12 ARG  HA      2.50
 &rst iat= 186, 164, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  13 SER  H      12 ARG  QG      3.50
 &rst iat= 186,  -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= 169, 170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 SER  H      13 SER  HB+     4.50
 &rst iat= 186,  -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= 190, 191,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 SER  H      13 SER  HB-     3.50
 &rst iat= 186,  -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= 190, 191,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 SER  H      13 SER  HA      3.50
 &rst iat= 197, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 SER  H      14 SER  HA      4.50
 &rst iat= 197, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 SER  H      15 GLY  H       3.50
 &rst iat= 197, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 SER  H      23 CYS  HA      4.50
 &rst iat= 197, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 GLY  H      13 SER  HA      4.50
 &rst iat= 208, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 GLY  H      13 SER  HB-     4.50
 &rst iat= 208,  -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= 190, 191,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 GLY  H      15 GLY  HA+     3.50
 &rst iat= 208,  -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= 210, 211,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 GLY  H      15 GLY  HA-     3.50
 &rst iat= 208,  -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= 210, 211,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 GLY  H      22 SER  H       4.50
 &rst iat= 208, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  16 LYS  H      15 GLY  HA+     3.50
 &rst iat= 215,  -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= 210, 211,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  H      15 GLY  HA-     3.50
 &rst iat= 215,  -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= 210, 211,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  H      16 LYS  HB-     3.50
 &rst iat= 215,  -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= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  H      16 LYS  HD-     5.50
 &rst iat= 215,  -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= 225, 226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  H      16 LYS  HG-     4.50
 &rst iat= 215,  -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= 222, 223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS  H      16 LYS  HA      2.50
 &rst iat= 237, 217, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  17 HIS  H      16 LYS  HB+     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= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS  H      16 LYS  HB-     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= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS  H      17 HIS  HA      3.50
 &rst iat= 237, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 HIS  H      17 HIS  HB2     3.50
 &rst iat= 237, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 HIS  H      17 HIS  HB3     4.50
 &rst iat= 237, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  17 HIS  H      20 VAL  H       4.50
 &rst iat= 237, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 TYR  H      17 HIS  HA      2.50
 &rst iat= 254, 239, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  18 TYR  H      17 HIS  HB2     4.50
 &rst iat= 254, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 TYR  H      17 HIS  HB3     4.50
 &rst iat= 254, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 TYR  H      18 TYR  HA      2.50
 &rst iat= 254, 256, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  18 TYR  H      18 TYR  HB3     4.50
 &rst iat= 254, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 TYR  H      18 TYR  HB2     4.50
 &rst iat= 254, 258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 TYR  H      18 TYR  HD      3.50
 &rst iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 262, 271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  H      75 ALA  MB      4.50
 &rst iat= 254,  -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=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 GLY  H      16 LYS  HG+     5.50
 &rst iat= 275,  -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= 222, 223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 GLY  H      18 TYR  H       3.50
 &rst iat= 275, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  19 GLY  H      18 TYR  HA      3.50
 &rst iat= 275, 256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  19 GLY  H      18 TYR  HD      5.50
 &rst iat= 275,  -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= 262, 271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 GLY  H      19 GLY  HA+     3.50
 &rst iat= 275,  -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= 277, 278,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 GLY  H      19 GLY  HA-     2.50
 &rst iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 277, 278,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 GLY  H      20 VAL  H       3.50
 &rst iat= 275, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 VAL  H      19 GLY  HA-     4.50
 &rst iat= 282,  -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= 277, 278,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  H      20 VAL  HA      3.50
 &rst iat= 282, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 VAL  H      20 VAL  HB      3.50
 &rst iat= 282, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 VAL  H      20 VAL  MGX     4.50
 &rst iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  H      20 VAL  MGY     3.50
 &rst iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  H       7 ALA  MB      4.50
 &rst iat= 298,  -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= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  H      20 VAL  HA      2.50
 &rst iat= 298, 284, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  21 TYR  H      20 VAL  HB      4.50
 &rst iat= 298, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  21 TYR  H      20 VAL  MGX     3.50
 &rst iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  H      20 VAL  MGY     4.50
 &rst iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  H      21 TYR  HD      3.50
 &rst iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  H      21 TYR  QB      2.50
 &rst iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 302, 303,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 SER  H      21 TYR  HA      2.50
 &rst iat= 319, 300, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  22 SER  H      21 TYR  QB      4.50
 &rst iat= 319,  -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= 302, 303,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 SER  H      22 SER  HA      4.50
 &rst iat= 319, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  22 SER  H      22 SER  HB+     4.50
 &rst iat= 319,  -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= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 SER  H      22 SER  HB-     3.50
 &rst iat= 319,  -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= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 CYS  H       6 CYS  HA      4.50
 &rst iat= 330,  96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  23 CYS  H       6 CYS  HB3     4.50
 &rst iat= 330,  99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  23 CYS  H       6 CYS  HB2     3.50
 &rst iat= 330,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 CYS  H      22 SER  HA      3.50
 &rst iat= 330, 321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 CYS  H      22 SER  HB-     5.50
 &rst iat= 330,  -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= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 CYS  H      23 CYS  HA      4.50
 &rst iat= 330, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  23 CYS  H      23 CYS  HB+     4.50
 &rst iat= 330,  -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= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 CYS  H      23 CYS  HB-     3.50
 &rst iat= 330,  -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= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 CYS  H      24 GLU  H       5.50
 &rst iat= 330, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 GLU  H      23 CYS  HA      3.50
 &rst iat= 340, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 GLU  H      23 CYS  HB+     3.50
 &rst iat= 340,  -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= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLU  H      23 CYS  HB-     4.50
 &rst iat= 340,  -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= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLU  H      24 GLU  HA      4.50
 &rst iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  24 GLU  H      24 GLU  HG-     3.50
 &rst iat= 340,  -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= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLU  H      24 GLU  QB      3.50
 &rst iat= 340,  -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= 344, 345,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLU  H      25 GLY  H       4.50
 &rst iat= 340, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  25 GLY  H      23 CYS  HB+     4.50
 &rst iat= 355,  -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= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 GLY  H      24 GLU  QB      3.50
 &rst iat= 355,  -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= 344, 345,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 GLY  H      25 GLY  QA      2.50
 &rst iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 357, 358,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 CYS  H      25 GLY  H       3.50
 &rst iat= 362, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 CYS  H      25 GLY  QA      3.50
 &rst iat= 362,  -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= 357, 358,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 CYS  H      26 CYS  HA      4.50
 &rst iat= 362, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  26 CYS  H      26 CYS  HB3     3.50
 &rst iat= 362, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 CYS  H      27 LYS  H       3.50
 &rst iat= 362, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 CYS  H      28 GLY  H       5.50
 &rst iat= 362, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 LYS  H      24 GLU  HA      4.50
 &rst iat= 372, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  27 LYS  H      26 CYS  HB3     3.50
 &rst iat= 372, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 LYS  H      27 LYS  HA      3.50
 &rst iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 LYS  H      27 LYS  HB+     2.50
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  H      27 LYS  HB-     2.50
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  H      27 LYS  HD+     4.50
 &rst iat= 372,  -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= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  28 GLY  H      27 LYS  H       3.50
 &rst iat= 394, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 GLY  H      27 LYS  HB+     3.50
 &rst iat= 394,  -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= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  28 GLY  H      27 LYS  HB-     4.50
 &rst iat= 394,  -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= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  28 GLY  H      27 LYS  HD+     5.50
 &rst iat= 394,  -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= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  28 GLY  H      27 LYS  QG      5.50
 &rst iat= 394,  -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= 379, 380,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  28 GLY  H      28 GLY  HA+     2.50
 &rst iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  28 GLY  H      28 GLY  HA-     2.50
 &rst iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  H      28 GLY  HA+     3.50
 &rst iat= 401,  -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= 396, 397,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  H      28 GLY  HA-     4.50
 &rst iat= 401,  -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= 396, 397,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  H      29 PHE  HA      3.50
 &rst iat= 401, 403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 PHE  H      29 PHE  HB+     3.50
 &rst iat= 401,  -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= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  H      29 PHE  HB-     3.50
 &rst iat= 401,  -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= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  H      29 PHE  HD      4.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  H      18 TYR  HE      5.50
 &rst iat= 421,  -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= 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  H      27 LYS  HA      4.50
 &rst iat= 421, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 PHE  H      29 PHE  H       3.50
 &rst iat= 421, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 PHE  H      29 PHE  HA      5.50
 &rst iat= 421, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  30 PHE  H      29 PHE  HB-     2.50
 &rst iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  H      29 PHE  HD      3.50
 &rst iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  H      30 PHE  HA      3.50
 &rst iat= 421, 423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 PHE  H      30 PHE  HB-     2.50
 &rst iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 425, 426,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  H      30 PHE  HD      4.50
 &rst iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  H      31 LYS  H       3.50
 &rst iat= 421, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 LYS  H      18 TYR  HE      4.50
 &rst iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  H      28 GLY  HA-     4.50
 &rst iat= 441,  -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= 396, 397,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  H      30 PHE  HB-     3.50
 &rst iat= 441,  -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= 425, 426,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  H      30 PHE  HD      4.50
 &rst iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  H      31 LYS  HA      3.50
 &rst iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 LYS  H      31 LYS  HB+     3.50
 &rst iat= 441,  -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= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  H      31 LYS  HB-     2.50
 &rst iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  H      31 LYS  HD+     4.50
 &rst iat= 441,  -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= 451, 452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  H      32 ARG  H       3.50
 &rst iat= 441, 463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 LYS  H      76 VAL  MG2     5.50
 &rst iat= 441,  -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=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  H      31 LYS  HA      4.50
 &rst iat= 463, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 ARG  H      31 LYS  HB+     4.50
 &rst iat= 463,  -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= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  H      31 LYS  HB-     3.50
 &rst iat= 463,  -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= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  H      31 LYS  HG-     4.50
 &rst iat= 463,  -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= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  H      32 ARG  HA      3.50
 &rst iat= 463, 465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 ARG  H      32 ARG  HB3     3.50
 &rst iat= 463, 468, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 ARG  H      32 ARG  HB2     2.50
 &rst iat= 463, 467, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  32 ARG  H      32 ARG  QD      4.50
 &rst iat= 463,  -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= 473, 474,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  H      32 ARG  QG      3.50
 &rst iat= 463,  -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= 470, 471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  H      33 THR  H       3.50
 &rst iat= 463, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  33 THR  H      29 PHE  HA      4.50
 &rst iat= 487, 403, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  33 THR  H      30 PHE  HA      4.50
 &rst iat= 487, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  33 THR  H      32 ARG  HA      4.50
 &rst iat= 487, 465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  33 THR  H      32 ARG  HB3     4.50
 &rst iat= 487, 468, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  33 THR  H      32 ARG  HB2     3.50
 &rst iat= 487, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  33 THR  H      32 ARG  QG      4.50
 &rst iat= 487,  -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= 470, 471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  H      33 THR  HA      3.50
 &rst iat= 487, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  33 THR  H      33 THR  HB      3.50
 &rst iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 VAL  H      31 LYS  HA      4.50
 &rst iat= 501, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  34 VAL  H      33 THR  HA      4.50
 &rst iat= 501, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  34 VAL  H      33 THR  HB      3.50
 &rst iat= 501, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 VAL  H      34 VAL  HA      3.50
 &rst iat= 501, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 VAL  H      34 VAL  HB      2.50
 &rst iat= 501, 505, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  34 VAL  H      34 VAL  MG1     4.50
 &rst iat= 501,  -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= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  H      34 VAL  MG2     2.50
 &rst iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  H      76 VAL  MG1     5.50
 &rst iat= 501,  -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=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  H      31 LYS  HA      5.50
 &rst iat= 517, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  35 ARG  H      31 LYS  HG-     5.50
 &rst iat= 517,  -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= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  H      32 ARG  HA      4.50
 &rst iat= 517, 465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  35 ARG  H      34 VAL  H       3.50
 &rst iat= 517, 501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 ARG  H      34 VAL  HA      4.50
 &rst iat= 517, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  35 ARG  H      34 VAL  HB      2.50
 &rst iat= 517, 505, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  35 ARG  H      34 VAL  MG1     3.50
 &rst iat= 517,  -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= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  H      34 VAL  MG2     4.50
 &rst iat= 517,  -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= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  H      35 ARG  HA      3.50
 &rst iat= 517, 519, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 ARG  H      35 ARG  HB2     3.50
 &rst iat= 517, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 ARG  H      35 ARG  HG-     3.50
 &rst iat= 517,  -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= 524, 525,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  H      36 LYS  H       3.50
 &rst iat= 517, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 ARG  H      76 VAL  MG1     4.50
 &rst iat= 517,  -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=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  H      35 ARG  HA      3.50
 &rst iat= 541, 519, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 LYS  H      36 LYS  HA      3.50
 &rst iat= 541, 543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 LYS  H      36 LYS  HB3     4.50
 &rst iat= 541, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  36 LYS  H      36 LYS  HB2     2.50
 &rst iat= 541, 545, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  36 LYS  H      36 LYS  QG      3.50
 &rst iat= 541,  -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= 548, 549,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 ASP  H      35 ARG  H       4.50
 &rst iat= 563, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 ASP  H      35 ARG  HA      5.50
 &rst iat= 563, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  37 ASP  H      36 LYS  H       2.50
 &rst iat= 563, 541, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  37 ASP  H      36 LYS  HB3     4.50
 &rst iat= 563, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 ASP  H      36 LYS  HB2     3.50
 &rst iat= 563, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 ASP  H      37 ASP  HA      2.50
 &rst iat= 563, 565, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  37 ASP  H      37 ASP  HB3     4.50
 &rst iat= 563, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 ASP  H      37 ASP  HB2     3.50
 &rst iat= 563, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 LEU  H      33 THR  HA      4.50
 &rst iat= 575, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  38 LEU  H      33 THR  MG2     3.50
 &rst iat= 575,  -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= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  H      37 ASP  H       3.50
 &rst iat= 575, 563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 LEU  H      37 ASP  HA      2.50
 &rst iat= 575, 565, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  38 LEU  H      38 LEU  HA      3.50
 &rst iat= 575, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 LEU  H      38 LEU  HB+     3.50
 &rst iat= 575,  -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= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  H      38 LEU  HB-     3.50
 &rst iat= 575,  -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= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  H      38 LEU  HG      3.50
 &rst iat= 575, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 LEU  H      38 LEU  MDY     3.50
 &rst iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR  H      38 LEU  HA      2.50
 &rst iat= 594, 577, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  39 THR  H      38 LEU  HB+     4.50
 &rst iat= 594,  -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= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR  H      38 LEU  MDY     3.50
 &rst iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR  H      39 THR  HA      3.50
 &rst iat= 594, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  39 THR  H      39 THR  MG2     4.50
 &rst iat= 594,  -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= 600, 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR  H      40 TYR  H       5.50
 &rst iat= 594, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 TYR  H      39 THR  HA      2.50
 &rst iat= 608, 596, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  40 TYR  H      39 THR  MG2     4.50
 &rst iat= 608,  -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= 600, 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  H      40 TYR  HA      4.50
 &rst iat= 608, 610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  40 TYR  H      40 TYR  HB3     4.50
 &rst iat= 608, 613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  40 TYR  H      40 TYR  HB2     3.50
 &rst iat= 608, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 TYR  H      40 TYR  HD      3.50
 &rst iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 THR  H      40 TYR  HA      2.50
 &rst iat= 629, 610, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  41 THR  H      40 TYR  HB3     3.50
 &rst iat= 629, 613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  41 THR  H      40 TYR  HB2     4.50
 &rst iat= 629, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  41 THR  H      40 TYR  HD      4.50
 &rst iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 THR  H      41 THR  HA      4.50
 &rst iat= 629, 631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  41 THR  H      41 THR  HB      3.50
 &rst iat= 629, 633, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  41 THR  H      41 THR  MG2     4.50
 &rst iat= 629,  -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 CYS  H      41 THR  HA      2.50
 &rst iat= 643, 631, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  42 CYS  H      41 THR  HB      4.50
 &rst iat= 643, 633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  42 CYS  H      41 THR  MG2     3.50
 &rst iat= 643,  -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= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 CYS  H      42 CYS  HB2     3.50
 &rst iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 CYS  H      42 CYS  HB3     3.50
 &rst iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  43 ARG  H      43 ARG  HA      3.50
 &rst iat= 653, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  43 ARG  H      43 ARG  HB3     4.50
 &rst iat= 653, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  43 ARG  H      43 ARG  QG      2.50
 &rst iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 660, 661,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ARG  H      44 ASP  H       3.50
 &rst iat= 653, 677, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 ASP  H      43 ARG  HA      4.50
 &rst iat= 677, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  44 ASP  H      43 ARG  HB2     4.50
 &rst iat= 677, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  44 ASP  H      44 ASP  HB3     4.50
 &rst iat= 677, 682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  44 ASP  H      44 ASP  HB2     3.50
 &rst iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  45 ASN  H      44 ASP  HB3     2.50
 &rst iat= 689, 682, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  45 ASN  H      45 ASN  HA      4.50
 &rst iat= 689, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  45 ASN  HD2+   45 ASN  HB3     4.50
 &rst iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 698, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 ASN  HD2+   45 ASN  HB2     4.50
 &rst iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 698, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 ASN  HD2-   45 ASN  HB3     5.50
 &rst iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 698, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 ASN  HD2-   45 ASN  HB2     5.50
 &rst iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 698, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 ASN  H      47 ASP  H       4.50
 &rst iat= 689, 725, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  46 LYS  H      45 ASN  H       4.50
 &rst iat= 703, 689, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  46 LYS  H      45 ASN  HA      4.50
 &rst iat= 703, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  46 LYS  H      46 LYS  HA      3.50
 &rst iat= 703, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  47 ASP  H      45 ASN  HB3     4.50
 &rst iat= 725, 694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  47 ASP  H      46 LYS  H       3.50
 &rst iat= 725, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  47 ASP  H      46 LYS  HA      3.50
 &rst iat= 725, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  47 ASP  H      46 LYS  HB-     5.50
 &rst iat= 725,  -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= 707, 708,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 ASP  H      47 ASP  HA      4.50
 &rst iat= 725, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  47 ASP  H      47 ASP  HB+     4.50
 &rst iat= 725,  -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= 729, 730,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 ASP  H      47 ASP  HB-     3.50
 &rst iat= 725,  -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= 729, 730,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  48 CYS  H      47 ASP  H       4.50
 &rst iat= 737, 725, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  48 CYS  H      48 CYS  HA      5.50
 &rst iat= 737, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  48 CYS  H      48 CYS  HB3     4.50
 &rst iat= 737, 742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  49 LEU  H      48 CYS  HA      2.50
 &rst iat= 747, 739, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  49 LEU  H      48 CYS  HB2     4.50
 &rst iat= 747, 741, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  49 LEU  H      48 CYS  HB3     4.50
 &rst iat= 747, 742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  49 LEU  H      49 LEU  HA      3.50
 &rst iat= 747, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  49 LEU  H      49 LEU  HB-     2.50
 &rst iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 751, 752,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  H      49 LEU  MDY     4.50
 &rst iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  H      49 LEU  HA      2.50
 &rst iat= 766, 749, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  50 ILE  H      49 LEU  HB-     4.50
 &rst iat= 766,  -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= 751, 752,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  H      49 LEU  MDX     4.50
 &rst iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  H      50 ILE  HB      4.50
 &rst iat= 766, 770, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  50 ILE  H      50 ILE  MG2     4.50
 &rst iat= 766,  -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= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 ASP  H      50 ILE  HA      2.50
 &rst iat= 785, 768, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  51 ASP  H      50 ILE  MD1     4.50
 &rst iat= 785,  -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= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 ASP  H      50 ILE  MG2     4.50
 &rst iat= 785,  -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= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 ASP  H      51 ASP  HA      4.50
 &rst iat= 785, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  51 ASP  H      51 ASP  HB2     4.50
 &rst iat= 785, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  52 LYS  H      51 ASP  HA      3.50
 &rst iat= 797, 787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  52 LYS  H      51 ASP  HB3     3.50
 &rst iat= 797, 790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  52 LYS  H      51 ASP  HB2     4.50
 &rst iat= 797, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  52 LYS  H      52 LYS  HA      3.50
 &rst iat= 797, 799, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  52 LYS  H      52 LYS  HG+     4.50
 &rst iat= 797,  -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= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  H      52 LYS  HG-     4.50
 &rst iat= 797,  -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= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  H      52 LYS  QB      3.50
 &rst iat= 797,  -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= 801, 802,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  H      52 LYS  QD      5.50
 &rst iat= 797,  -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= 807, 808,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG  H      52 LYS  HA      4.50
 &rst iat= 819, 799, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  53 ARG  H      52 LYS  HG+     4.50
 &rst iat= 819,  -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= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG  H      52 LYS  HG-     4.50
 &rst iat= 819,  -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= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG  H      52 LYS  QB      2.50
 &rst iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 801, 802,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG  H      53 ARG  HA      3.50
 &rst iat= 819, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  53 ARG  H      53 ARG  QG      3.50
 &rst iat= 819,  -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= 826, 827,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG  H      54 GLN  H       3.50
 &rst iat= 819, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  54 GLN  H      53 ARG  HA      3.50
 &rst iat= 843, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  54 GLN  H      54 GLN  HA      3.50
 &rst iat= 843, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  54 GLN  H      54 GLN  HB+     4.50
 &rst iat= 843,  -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= 847, 848,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 GLN  H      54 GLN  HB-     3.50
 &rst iat= 843,  -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= 847, 848,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 GLN  H      54 GLN  HG-     3.50
 &rst iat= 843,  -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= 850, 851,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 GLN  HE2+   54 GLN  HG-     3.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 855, 856,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 850, 851,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 ASN  HD2+   56 ASN  HB+     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 893, 894,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 888, 889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 ASN  HD2+   56 ASN  HB-     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 893, 894,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 888, 889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 ASN  HD2-   56 ASN  HB+     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 893, 894,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 888, 889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 ASN  HD2-   56 ASN  HB-     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 893, 894,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 888, 889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  58 CYS  H      58 CYS  HA      4.50
 &rst iat= 922, 924, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  58 CYS  H      58 CYS  HB+     4.50
 &rst iat= 922,  -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= 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  58 CYS  H      58 CYS  HB-     4.50
 &rst iat= 922,  -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= 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  H      58 CYS  HA      2.50
 &rst iat= 932, 924, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  59 GLN  H      58 CYS  HB+     4.50
 &rst iat= 932,  -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= 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  H      58 CYS  HB-     5.50
 &rst iat= 932,  -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= 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  H      59 GLN  HA      4.50
 &rst iat= 932, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  59 GLN  H      59 GLN  HB2     3.50
 &rst iat= 932, 936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 GLN  H      59 GLN  HB3     4.50
 &rst iat= 932, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  59 GLN  H      59 GLN  HG+     3.50
 &rst iat= 932,  -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= 939, 940,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  H      59 GLN  HG-     3.50
 &rst iat= 932,  -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= 939, 940,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  HE2+   59 GLN  HG+     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 939, 940,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  HE2+   59 GLN  HG-     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 939, 940,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  H      60 TYR  H       4.50
 &rst iat= 932, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 TYR  H      40 TYR  HB3     3.50
 &rst iat= 949, 613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 TYR  H      42 CYS  HB2     5.50
 &rst iat= 949, 647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 TYR  H      42 CYS  HB3     5.50
 &rst iat= 949, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 TYR  H      58 CYS  HA      5.50
 &rst iat= 949, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 TYR  H      59 GLN  HA      4.50
 &rst iat= 949, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 TYR  H      59 GLN  HB2     4.50
 &rst iat= 949, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 TYR  H      60 TYR  HA      3.50
 &rst iat= 949, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 TYR  H      60 TYR  HB3     3.50
 &rst iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 TYR  H      60 TYR  HB2     3.50
 &rst iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 TYR  H      60 TYR  HD      4.50
 &rst iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  61 CYS  H      50 ILE  MD1     4.50
 &rst iat= 970,  -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= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  61 CYS  H      60 TYR  H       3.50
 &rst iat= 970, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 CYS  H      60 TYR  HB3     3.50
 &rst iat= 970, 954, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 CYS  H      61 CYS  HA      3.50
 &rst iat= 970, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 CYS  H      61 CYS  HB3     3.50
 &rst iat= 970, 975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 CYS  H      61 CYS  HB2     2.50
 &rst iat= 970, 974, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  61 CYS  H      62 ARG  H       3.50
 &rst iat= 970, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  62 ARG  H      50 ILE  MD1     3.50
 &rst iat= 980,  -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= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 ARG  H      61 CYS  HA      4.50
 &rst iat= 980, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 ARG  H      61 CYS  HB3     4.50
 &rst iat= 980, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 ARG  H      61 CYS  HB2     4.50
 &rst iat= 980, 974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 ARG  H      62 ARG  HA      3.50
 &rst iat= 980, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  62 ARG  H      62 ARG  HB-     2.50
 &rst iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 984, 985,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 ARG  H      63 TYR  H       3.50
 &rst iat= 980,1004, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  63 TYR  H      29 PHE  HE      3.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  H      29 PHE  HZ      4.50
 &rst iat=1004, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  63 TYR  H      62 ARG  HA      4.50
 &rst iat=1004, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  63 TYR  H      62 ARG  HB-     3.50
 &rst iat=1004,  -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= 984, 985,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  H      63 TYR  HA      4.50
 &rst iat=1004,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  63 TYR  H      63 TYR  QB      2.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1008,1009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  H      60 TYR  HD      4.50
 &rst iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  H      61 CYS  HA      4.50
 &rst iat=1025, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  64 GLN  H      63 TYR  QB      3.50
 &rst iat=1025,  -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=1008,1009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  H      64 GLN  HA      3.50
 &rst iat=1025,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  64 GLN  H      64 GLN  HB3     3.50
 &rst iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  64 GLN  H      64 GLN  HB2     2.50
 &rst iat=1025,1029, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  64 GLN  H      64 GLN  HG-     2.50
 &rst iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  H      64 GLN  QE2     4.50
 &rst iat=1025,  -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=1037,1038,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  QE2    64 GLN  HG+     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1037,1038,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  QE2    64 GLN  HG-     3.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1037,1038,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  H       8 ILE  HG1-    5.50
 &rst iat=1042,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  H       8 ILE  MG2     4.50
 &rst iat=1042,  -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= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  H      61 CYS  HA      5.50
 &rst iat=1042, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  65 LYS  H      62 ARG  HA      4.50
 &rst iat=1042, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  65 LYS  H      64 GLN  H       3.50
 &rst iat=1042,1025, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  65 LYS  H      65 LYS  HA      3.50
 &rst iat=1042,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  65 LYS  H      65 LYS  HB-     2.50
 &rst iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1046,1047,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  H      65 LYS  HG+     4.50
 &rst iat=1042,  -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=1049,1050,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  H      65 LYS  HG-     4.50
 &rst iat=1042,  -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=1049,1050,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  H      67 LEU  H       5.50
 &rst iat=1042,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 ALA  H       8 ILE  MD1     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= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  H       8 ILE  MG2     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= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  H      63 TYR  HA      4.50
 &rst iat=1064,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  66 ALA  H      65 LYS  HA      5.50
 &rst iat=1064,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 ALA  H      65 LYS  HB-     3.50
 &rst iat=1064,  -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=1046,1047,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  H      65 LYS  HG+     4.50
 &rst iat=1064,  -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=1049,1050,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  H      65 LYS  HG-     4.50
 &rst iat=1064,  -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=1049,1050,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  H      66 ALA  HA      4.50
 &rst iat=1064,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  66 ALA  H      66 ALA  MB      2.50
 &rst iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  H      67 LEU  H       3.50
 &rst iat=1064,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66 ALA  H      71 MET  HG-     5.50
 &rst iat=1064,  -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=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  H       8 ILE  HG1-    5.50
 &rst iat=1074,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  H      64 GLN  HA      3.50
 &rst iat=1074,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67 LEU  H      66 ALA  MB      3.50
 &rst iat=1074,  -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=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  H      67 LEU  HA      3.50
 &rst iat=1074,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67 LEU  H      67 LEU  HB2     3.50
 &rst iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67 LEU  H      67 LEU  HB3     3.50
 &rst iat=1074,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67 LEU  H      67 LEU  MDX     4.50
 &rst iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  H      67 LEU  MDY     3.50
 &rst iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  H      64 GLN  HA      4.50
 &rst iat=1093,1027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  68 ALA  H      67 LEU  H       3.50
 &rst iat=1093,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68 ALA  H      67 LEU  HA      3.50
 &rst iat=1093,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68 ALA  H      67 LEU  HB2     3.50
 &rst iat=1093,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68 ALA  H      67 LEU  HB3     3.50
 &rst iat=1093,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68 ALA  H      67 LEU  MDX     5.50
 &rst iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  H      67 LEU  MDY     4.50
 &rst iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  H      68 ALA  HA      3.50
 &rst iat=1093,1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68 ALA  H      68 ALA  MB      3.50
 &rst iat=1093,  -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=1097,1098,1099,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  H      69 MET  H       3.50
 &rst iat=1093,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  69 MET  H      66 ALA  HA      4.50
 &rst iat=1103,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  69 MET  H      67 LEU  HA      4.50
 &rst iat=1103,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  69 MET  H      68 ALA  HA      4.50
 &rst iat=1103,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  69 MET  H      68 ALA  MB      3.50
 &rst iat=1103,  -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=1097,1098,1099,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  H      69 MET  HG+     3.50
 &rst iat=1103,  -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=1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  H      69 MET  HG-     4.50
 &rst iat=1103,  -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=1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  H      69 MET  QB      2.50
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1107,1108,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 GLY  H      67 LEU  HA      4.50
 &rst iat=1122,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  70 GLY  H      69 MET  H       3.50
 &rst iat=1122,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  70 GLY  H      69 MET  QB      4.50
 &rst iat=1122,  -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=1107,1108,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 GLY  H      70 GLY  HA+     3.50
 &rst iat=1122,  -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=1124,1125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 GLY  H      70 GLY  HA-     3.50
 &rst iat=1122,  -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=1124,1125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 GLY  H      71 MET  H       2.50
 &rst iat=1122,1129, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  71 MET  H      67 LEU  HA      3.50
 &rst iat=1129,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  71 MET  H      69 MET  QB      4.50
 &rst iat=1129,  -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=1107,1108,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  H      70 GLY  HA-     4.50
 &rst iat=1129,  -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=1124,1125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  H      71 MET  HA      3.50
 &rst iat=1129,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  71 MET  H      71 MET  HB2     2.50
 &rst iat=1129,1133, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  71 MET  H      71 MET  HB3     4.50
 &rst iat=1129,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  71 MET  H      71 MET  HG+     3.50
 &rst iat=1129,  -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=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  H      71 MET  HG-     4.50
 &rst iat=1129,  -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=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 LYS  H      18 TYR  HB3     3.50
 &rst iat=1148, 259, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  72 LYS  H      18 TYR  HB2     4.50
 &rst iat=1148, 258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  72 LYS  H      71 MET  HA      2.50
 &rst iat=1148,1131, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  72 LYS  H      71 MET  HB2     4.50
 &rst iat=1148,1133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  72 LYS  H      71 MET  HB3     4.50
 &rst iat=1148,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  72 LYS  H      72 LYS  HB3     3.50
 &rst iat=1148,1153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  72 LYS  H      72 LYS  HB2     2.50
 &rst iat=1148,1152, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  72 LYS  H      72 LYS  HG-     3.50
 &rst iat=1148,  -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=1155,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  H      30 PHE  HE      5.50
 &rst iat=1170,  -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= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  H      71 MET  HB2     5.50
 &rst iat=1170,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  73 ARG  H      72 LYS  HA      4.50
 &rst iat=1170,1150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  73 ARG  H      73 ARG  HA      3.50
 &rst iat=1170,1172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  73 ARG  H      73 ARG  HB-     2.50
 &rst iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1174,1175,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  H      73 ARG  HD+     5.50
 &rst iat=1170,  -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=1180,1181,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  H      73 ARG  HG-     4.50
 &rst iat=1170,  -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=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  H      74 GLU  H       3.50
 &rst iat=1170,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  74 GLU  H      72 LYS  HG-     5.50
 &rst iat=1194,  -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=1155,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  H      73 ARG  HB-     3.50
 &rst iat=1194,  -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=1174,1175,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  H      74 GLU  HA      3.50
 &rst iat=1194,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  74 GLU  H      74 GLU  HG+     4.50
 &rst iat=1194,  -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=1201,1202,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  H      74 GLU  QB      2.50
 &rst iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1198,1199,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  H      72 LYS  HB3     4.50
 &rst iat=1209,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  75 ALA  H      74 GLU  H       3.50
 &rst iat=1209,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  75 ALA  H      74 GLU  HA      4.50
 &rst iat=1209,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  75 ALA  H      74 GLU  HG+     4.50
 &rst iat=1209,  -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=1201,1202,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  H      74 GLU  QB      3.50
 &rst iat=1209,  -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=1198,1199,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  H      75 ALA  HA      3.50
 &rst iat=1209,1211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  75 ALA  H      75 ALA  MB      2.50
 &rst iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  H      76 VAL  MG2     4.50
 &rst iat=1209,  -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=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  H      73 ARG  HA      4.50
 &rst iat=1219,1172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  76 VAL  H      75 ALA  HA      4.50
 &rst iat=1219,1211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  76 VAL  H      75 ALA  MB      3.50
 &rst iat=1219,  -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=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  H      76 VAL  HA      3.50
 &rst iat=1219,1221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  76 VAL  H      76 VAL  HB      2.50
 &rst iat=1219,1223, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  76 VAL  H      76 VAL  MG1     4.50
 &rst iat=1219,  -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=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  H      76 VAL  MG2     2.50
 &rst iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  H      34 VAL  MG1     5.50
 &rst iat=1235,  -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= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  H      74 GLU  HA      4.50
 &rst iat=1235,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 GLN  H      76 VAL  H       3.50
 &rst iat=1235,1219, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77 GLN  H      76 VAL  HA      3.50
 &rst iat=1235,1221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77 GLN  H      76 VAL  MG1     4.50
 &rst iat=1235,  -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=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  H      76 VAL  MG2     4.50
 &rst iat=1235,  -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=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  H      77 GLN  HA      3.50
 &rst iat=1235,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77 GLN  H      77 GLN  HB-     2.50
 &rst iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1239,1240,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  H      77 GLN  QG      3.50
 &rst iat=1235,  -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=1242,1243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  H      31 LYS  HD-     5.50
 &rst iat=1252,  -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= 451, 452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  H      31 LYS  HG+     5.50
 &rst iat=1252,  -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= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  H      75 ALA  HA      4.50
 &rst iat=1252,1211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  78 GLU  H      77 GLN  H       3.50
 &rst iat=1252,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 GLU  H      78 GLU  HA      3.50
 &rst iat=1252,1254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 GLU  H      78 GLU  HB+     2.50
 &rst iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  H      78 GLU  HB-     3.50
 &rst iat=1252,  -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=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  H      78 GLU  QG      4.50
 &rst iat=1252,  -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=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  79 GLU  H      78 GLU  H       4.50
 &rst iat=1267,1252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  79 GLU  H      78 GLU  HB-     3.50
 &rst iat=1267,  -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=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  79 GLU  H      79 GLU  HA      3.50
 &rst iat=1267,1269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  79 GLU  H      79 GLU  HG+     4.50
 &rst iat=1267,  -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=1274,1275,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  79 GLU  H      79 GLU  QB      2.50
 &rst iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1271,1272,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  H      79 GLU  H       3.50
 &rst iat=1282,1267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 ARG  H      79 GLU  HA      3.50
 &rst iat=1282,1269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 ARG  H      79 GLU  QB      3.50
 &rst iat=1282,  -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=1271,1272,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  H      80 ARG  HB+     2.50
 &rst iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1286,1287,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  H      80 ARG  HB-     2.50
 &rst iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1286,1287,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  H      80 ARG  QG      3.50
 &rst iat=1282,  -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=1289,1290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  H      81 GLN  H       5.50
 &rst iat=1282,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  81 GLN  H      80 ARG  HB+     4.50
 &rst iat=1306,  -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=1286,1287,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 GLN  H      80 ARG  HB-     4.50
 &rst iat=1306,  -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=1286,1287,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 GLN  H      80 ARG  QG      4.50
 &rst iat=1306,  -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=1289,1290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 GLN  H      81 GLN  HA      3.50
 &rst iat=1306,1308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81 GLN  H      81 GLN  HB2     3.50
 &rst iat=1306,1310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81 GLN  H      81 GLN  QG      4.50
 &rst iat=1306,  -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=1313,1314,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 ARG  H      81 GLN  HA      3.50
 &rst iat=1323,1308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  82 ARG  H      81 GLN  HB3     4.50
 &rst iat=1323,1311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  82 ARG  H      82 ARG  HB+     4.50
 &rst iat=1323,  -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=1327,1328,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 ARG  H      82 ARG  HB-     3.50
 &rst iat=1323,  -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=1327,1328,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 ARG  H      82 ARG  QG      3.50
 &rst iat=1323,  -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=1330,1331,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 ARG  H      83 GLY  H       4.50
 &rst iat=1323,1347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  68 ALA  H      67 LEU  HG      5.50
 &rst iat=1093,1081, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  61 CYS  H      42 CYS  HB2     4.50
 &rst iat= 970, 647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  66 ALA  H      62 ARG  HA      5.50
 &rst iat=1064, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 ALA  H      64 GLN  HA      5.50
 &rst iat=1064,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  71 MET  H      20 VAL  MGY     5.50
 &rst iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  H      35 ARG  HB2     3.50
 &rst iat= 541, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 TYR  H      40 TYR  HB2     5.50
 &rst iat= 949, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  47 ASP  H      48 CYS  H       3.50
 &rst iat= 725, 737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  54 GLN  H      53 ARG  QB      4.50
 &rst iat= 843,  -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= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  H      67 LEU  HG      4.50
 &rst iat=1074,1081, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  73 ARG  H      72 LYS  HB2     5.50
 &rst iat=1170,1152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  73 ARG  H      72 LYS  HG-     5.50
 &rst iat=1170,  -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=1155,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 LYS  H      70 GLY  HA+     5.50
 &rst iat=1148,  -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=1124,1125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 LYS  H      71 MET  HG-     5.50
 &rst iat=1148,  -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=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  H      77 GLN  HA      5.50
 &rst iat=1282,1237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 GLU  H      78 GLU  HA      5.50
 &rst iat=1267,1254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 GLU  H      77 GLN  HA      5.50
 &rst iat=1267,1237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  81 GLN  H      80 ARG  HA      5.50
 &rst iat=1306,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  78 GLU  H      77 GLN  HB-     5.50
 &rst iat=1252,  -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=1239,1240,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  H      77 GLN  HB+     5.50
 &rst iat=1252,  -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=1239,1240,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  H      76 VAL  HB      5.50
 &rst iat=1235,1223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  76 VAL  H      75 ALA  H       4.50
 &rst iat=1219,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  78 GLU  H      31 LYS  HD-     5.50
 &rst iat=1252,  -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= 451, 452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 ARG  H      62 ARG  HB+     5.50
 &rst iat= 980,  -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= 984, 985,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  H      16 LYS  HB+     4.50
 &rst iat= 215,  -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= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 ASP  H      36 LYS  HA      4.50
 &rst iat= 563, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  73 ARG  H      30 PHE  HZ      5.50
 &rst iat=1170, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   6 CYS  H      12 ARG  HA      5.50
 &rst iat=  94, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 ALA  H       6 CYS  HB3     5.50
 &rst iat= 104,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 ALA  H       8 ILE  MD1     5.50
 &rst iat= 104,  -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= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  H      10 GLY  H       5.50
 &rst iat= 114, 143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GLY  H       6 CYS  H       5.50
 &rst iat= 143,  94, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 ASP  H       9 CYS  H       5.50
 &rst iat= 150, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 ARG  H      13 SER  H       5.50
 &rst iat= 162, 186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 GLY  H      21 TYR  HD      5.50
 &rst iat= 208,  -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= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 GLY  H      75 ALA  MB      5.50
 &rst iat= 275,  -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=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  H      21 TYR  HA      5.50
 &rst iat= 298, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  22 SER  H      21 TYR  HD      5.50
 &rst iat= 319,  -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= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 CYS  H      23 CYS  H       5.50
 &rst iat= 362, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 ARG  H      29 PHE  HA      5.50
 &rst iat= 463, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 ARG  H      42 CYS  HB3     5.50
 &rst iat= 653, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 ASP  H      45 ASN  H       5.50
 &rst iat= 677, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 ASP  H      44 ASP  HA      5.50
 &rst iat= 677, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 ASP  H      42 CYS  H       5.50
 &rst iat= 677, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 ASN  H      44 ASP  HA      5.50
 &rst iat= 689, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  50 ILE  H      49 LEU  H       5.50
 &rst iat= 766, 747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 ASP  H      50 ILE  H       5.50
 &rst iat= 785, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 ASP  H      51 ASP  HB3     5.50
 &rst iat= 785, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 GLN  H      53 ARG  QG      5.50
 &rst iat= 843,  -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= 826, 827,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  H      61 CYS  H       5.50
 &rst iat=1004, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 TYR  H      60 TYR  HA      5.50
 &rst iat=1004, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  64 GLN  H      63 TYR  HA      5.50
 &rst iat=1025,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 ALA  H      64 GLN  H       5.50
 &rst iat=1064,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  67 LEU  H      30 PHE  HE      5.50
 &rst iat=1074,  -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= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR H       0 AMB 2:363            4.50    (# 363 55)
 &rst iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 932, 629,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ARG H       0 AMB 2:7              4.50    (# 7 218)
 &rst iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 631, 645,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 ASP H       0 AMB 2:272            4.50    (# 272 32)
 &rst iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  81,  82,  83,  88,  89,  90,   0,   0,   0,   0,   0,   0,   &end
#
#  45 ASN H       0 AMB 2:178            4.50    (# 178 187)
 &rst iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 693, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR H       0 AMB 2:636            4.50    (# 636 87)
 &rst iat= 594,  -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= 579, 580, 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   &end
#
#  45 ASN H       0 AMB 2:173            4.50    (# 173 86)
 &rst iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 677, 703,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 ASP H       0 AMB 2:312            4.50    (# 312 20)
 &rst iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 503, 489,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG H       0 AMB 2:81             4.50    (# 81 31)
 &rst iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1225,1226,1227,1229,1230,1231, 507, 508, 509, 511, 512, 513,   &end
#
#   2 THR  HA      2 THR  MG2     3.00
 &rst iat=  24,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  28,  29,  30,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   2 THR  MG2     2 THR  HB      3.00
 &rst iat=  -1,  26, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=  28,  29,  30,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  HA      3 LYS  HB+     3.00
 &rst iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  40,  41,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  HA      3 LYS  HB-     4.00
 &rst iat=  38,  -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=  40,  41,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  HA      3 LYS  QG      3.00
 &rst iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  43,  44,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  QD      3 LYS  QG      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  43,  44,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  QE      3 LYS  QD      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  49,  50,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  QE      3 LYS  QG      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  49,  50,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  43,  44,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  QG      3 LYS  HB+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  43,  44,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  40,  41,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LYS  QG      3 LYS  HB-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  43,  44,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  40,  41,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 HIS  HA      4 HIS  QB      3.00
 &rst iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 HIS  HD1    21 TYR  HD      4.00
 &rst iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MG2     1 PHE  HB-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   6,   7,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HA      5 ILE  HB      4.00
 &rst iat=  77,  79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   5 ILE  HA      5 ILE  MG2     3.00
 &rst iat=  77,  -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=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HB      5 ILE  HG1+    3.00
 &rst iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HG1+    5 ILE  MD1     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  88,  89,  90,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HG1-    5 ILE  HB      4.00
 &rst iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,   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 ILE  HG1-    5 ILE  MD1     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  88,  89,  90,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MD1     5 ILE  HB      3.00
 &rst iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=  88,  89,  90,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MG2     5 ILE  HB      3.00
 &rst iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MG2     5 ILE  HG1+    4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MG2     5 ILE  HG1-    4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MD1    10 GLY  HA-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  88,  89,  90,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MG2    10 GLY  HA+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MG2    10 GLY  HA-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 145, 146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  MG2    11 ASP  HA      5.00
 &rst iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HA     12 ARG  HA      4.00
 &rst iat=  77, 164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   6 CYS  HA      6 CYS  HB2     4.00
 &rst iat=  96,  98, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   7 ALA  HA      7 ALA  MB      3.00
 &rst iat= 106,  -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= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  MB      8 ILE  HG1-    4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  MB     20 VAL  HB      4.00
 &rst iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  MB     69 MET  HG-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  MB     69 MET  ME      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 ALA  MB     71 MET  ME      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1     7 ALA  MB      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  HA      8 ILE  HG1+    4.00
 &rst iat= 116,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  HA      8 ILE  HG1-    4.00
 &rst iat= 116,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  HB      8 ILE  HG1+    4.00
 &rst iat= 118,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  HB      8 ILE  HG1-    3.00
 &rst iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  HG1-    8 ILE  MG2     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1     8 ILE  HA      4.00
 &rst iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1     8 ILE  HB      3.00
 &rst iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1     8 ILE  HG1+    3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1     8 ILE  MG2     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2     8 ILE  HA      4.00
 &rst iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2     8 ILE  HB      3.00
 &rst iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2     8 ILE  HG1+    3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1    22 SER  HB+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1    26 CYS  HB3     4.00
 &rst iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2    62 ARG  HA      3.00
 &rst iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2    62 ARG  HB-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 984, 985,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2    65 LYS  HB+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1046,1047,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2    65 LYS  QD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1052,1053,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1    66 ALA  HA      3.00
 &rst iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1    66 ALA  MB      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2    66 ALA  MB      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1    71 MET  HG+     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MD1    71 MET  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 CYS  HA      9 CYS  HB2     4.00
 &rst iat= 135, 137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   9 CYS  HA      9 CYS  HB3     4.00
 &rst iat= 135, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   9 CYS  HA     50 ILE  MG2     4.00
 &rst iat= 135,  -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= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 ASP  HA     11 ASP  HB3     4.00
 &rst iat= 152, 155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  11 ASP  HA     11 ASP  HB2     4.00
 &rst iat= 152, 154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  12 ARG  HA      5 ILE  MG2     4.00
 &rst iat= 164,  -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=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 ARG  QB     12 ARG  HA      3.00
 &rst iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 166, 167,   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 ARG  QB     12 ARG  QD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 166, 167,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 172, 173,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 ARG  QG     12 ARG  QD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 169, 170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 172, 173,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 SER  HA     13 SER  HB+     4.00
 &rst iat= 188,  -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= 190, 191,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 SER  HA     13 SER  HB-     4.00
 &rst iat= 188,  -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= 190, 191,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 SER  HA     14 SER  HB+     4.00
 &rst iat= 199,  -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= 201, 202,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 SER  HA     14 SER  HB-     4.00
 &rst iat= 199,  -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= 201, 202,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA     16 LYS  HB+     4.00
 &rst iat= 217,  -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= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA     16 LYS  HB-     4.00
 &rst iat= 217,  -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= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HB-    16 LYS  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 222, 223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HD-    16 LYS  HB-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 225, 226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HD-    16 LYS  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 225, 226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 222, 223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HD-    16 LYS  HG-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 225, 226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 222, 223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HD-    16 LYS  QE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 225, 226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 228, 229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QE     16 LYS  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 228, 229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 222, 223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QE     16 LYS  HG-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 228, 229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 222, 223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QE     19 GLY  HA-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 228, 229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 277, 278,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QE     21 TYR  HE      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 228, 229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS  HA     17 HIS  HB2     4.00
 &rst iat= 239, 241, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  17 HIS  HA     17 HIS  HB3     3.00
 &rst iat= 239, 242, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  18 TYR  HA     18 TYR  HB3     3.00
 &rst iat= 256, 259, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  18 TYR  HA     18 TYR  HB2     4.00
 &rst iat= 256, 258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  18 TYR  HA     18 TYR  HD      3.00
 &rst iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 262, 271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  HA     75 ALA  MB      3.00
 &rst iat= 256,  -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=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGX     7 ALA  MB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGY     7 ALA  MB      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2= 108, 109, 110,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGX    19 GLY  HA+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2= 277, 278,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  HA     20 VAL  HB      3.00
 &rst iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  20 VAL  HA     20 VAL  MGX     3.00
 &rst iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  HA     20 VAL  MGY     3.00
 &rst iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGX    20 VAL  HB      3.00
 &rst iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGY    20 VAL  HB      3.00
 &rst iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGY    22 SER  HB+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  HB     71 MET  ME      3.00
 &rst iat= 286,  -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=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGX    71 MET  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL  MGY    71 MET  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  HA     16 LYS  HA      3.00
 &rst iat= 300, 217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 TYR  HE     16 LYS  HD+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  HA     21 TYR  QB      4.00
 &rst iat= 300,  -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= 302, 303,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  HD     21 TYR  HE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 SER  HA      6 CYS  HA      3.00
 &rst iat= 321,  96, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 SER  HB+    17 HIS  HD      4.00
 &rst iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 323, 324,   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 SER  HB-    17 HIS  HD      4.00
 &rst iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 323, 324,   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 SER  HA     22 SER  HB+     4.00
 &rst iat= 321,  -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= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 SER  HA     22 SER  HB-     4.00
 &rst iat= 321,  -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= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 SER  HB-    71 MET  ME      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 CYS  HA     13 SER  HA      3.00
 &rst iat= 332, 188, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 CYS  HA     23 CYS  HB+     3.00
 &rst iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 CYS  HA     23 CYS  HB-     4.00
 &rst iat= 332,  -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= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLU  HG-    24 GLU  QB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 344, 345,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLU  QB     24 GLU  HA      3.00
 &rst iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 344, 345,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLU  HA     27 LYS  HB+     4.00
 &rst iat= 342,  -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= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 CYS  HA     26 CYS  HB3     4.00
 &rst iat= 364, 367, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  26 CYS  HA     29 PHE  HB+     4.00
 &rst iat= 364,  -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= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  HA     27 LYS  HB+     3.00
 &rst iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  HA     27 LYS  HD+     4.00
 &rst iat= 374,  -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= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  HB-    27 LYS  HA      4.00
 &rst iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 376, 377,   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 LYS  HB-    27 LYS  HD+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  HE+    27 LYS  HD+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 385, 386,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  HE-    27 LYS  HD+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 385, 386,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS  HA     31 LYS  HB-     5.00
 &rst iat= 374,  -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= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HB-    26 CYS  HA      3.00
 &rst iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HA     29 PHE  HB+     4.00
 &rst iat= 403,  -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= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HA     29 PHE  HB-     4.00
 &rst iat= 403,  -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= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HA     30 PHE  HD      4.00
 &rst iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HB+    30 PHE  HA      3.00
 &rst iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 425, 426,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HB+    30 PHE  HD      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 425, 426,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HA     33 THR  HB      3.00
 &rst iat= 423, 491, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 LYS  HA     31 LYS  HB+     4.00
 &rst iat= 443,  -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= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HA     31 LYS  HB-     4.00
 &rst iat= 443,  -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= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HA     31 LYS  HG+     4.00
 &rst iat= 443,  -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= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HB-    31 LYS  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HD+    31 LYS  QE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 451, 452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 454, 455,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HD-    31 LYS  QE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 451, 452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 454, 455,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HG+    31 LYS  QE      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 454, 455,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HA     76 VAL  MG1     4.00
 &rst iat= 443,  -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=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 LYS  HA     76 VAL  MG2     4.00
 &rst iat= 443,  -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=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  HA     32 ARG  HB3     3.00
 &rst iat= 465, 468, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  32 ARG  HA     32 ARG  HB2     3.00
 &rst iat= 465, 467, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  32 ARG  HA     32 ARG  QG      3.00
 &rst iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  QG     32 ARG  QD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 470, 471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 473, 474,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  HA     35 ARG  HB2     3.00
 &rst iat= 465, 521, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 THR  MG2    33 THR  HA      3.00
 &rst iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  MG2    33 THR  HB      3.00
 &rst iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  HA     38 LEU  HB+     4.00
 &rst iat= 489,  -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= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  MG2    38 LEU  HB+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG2    31 LYS  HA      4.00
 &rst iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG2    33 THR  HB      4.00
 &rst iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  HA     34 VAL  HB      4.00
 &rst iat= 503, 505, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  34 VAL  MG1    34 VAL  HA      3.00
 &rst iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG1    34 VAL  HB      3.00
 &rst iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG2    34 VAL  HA      3.00
 &rst iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG2    34 VAL  HB      3.00
 &rst iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG1    73 ARG  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG2    73 ARG  HG-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG1    76 VAL  HB      3.00
 &rst iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG2    76 VAL  HB      5.00
 &rst iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG2    76 VAL  MG1     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL  MG1    77 GLN  QG      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1242,1243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  HA     35 ARG  HB2     4.00
 &rst iat= 519, 521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  35 ARG  HA     35 ARG  HB3     3.00
 &rst iat= 519, 522, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  35 ARG  HA     35 ARG  HG-     3.00
 &rst iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 524, 525,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  HD+    35 ARG  HG+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 527, 528,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 524, 525,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  HD+    35 ARG  HG-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 527, 528,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 524, 525,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  HD-    35 ARG  HG+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 527, 528,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 524, 525,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  HG+    35 ARG  HA      3.00
 &rst iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 524, 525,   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     36 LYS  HB3     3.00
 &rst iat= 543, 546, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 LYS  HA     36 LYS  HB2     3.00
 &rst iat= 543, 545, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 LYS  HA     36 LYS  QG      3.00
 &rst iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 548, 549,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  QD     36 LYS  HA      3.00
 &rst iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 551, 552,   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  QD     36 LYS  QE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 551, 552,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 554, 555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  QD     36 LYS  QG      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 551, 552,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 548, 549,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 ASP  HA     37 ASP  HB3     3.00
 &rst iat= 565, 568, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 ASP  HA     37 ASP  HB2     3.00
 &rst iat= 565, 567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 LEU  MDX    33 THR  HA      3.00
 &rst iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDX    36 LYS  HB3     3.00
 &rst iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDX    36 LYS  HB2     4.00
 &rst iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDX    36 LYS  QD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2= 551, 552,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDY    36 LYS  HB3     3.00
 &rst iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDY    36 LYS  HB2     4.00
 &rst iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDY    36 LYS  QD      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2= 551, 552,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  HA     38 LEU  HB-     3.00
 &rst iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  HA     38 LEU  MDY     3.00
 &rst iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  HB+    38 LEU  HA      5.00
 &rst iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  HB-    38 LEU  MDY     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  HG     38 LEU  HB-     3.00
 &rst iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  HG     38 LEU  MDY     3.00
 &rst iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDX    38 LEU  HA      4.00
 &rst iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDX    38 LEU  HB+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDX    38 LEU  HG      3.00
 &rst iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDY    38 LEU  HB+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR  HA     39 THR  MG2     3.00
 &rst iat= 596,  -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= 600, 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR  HB     39 THR  MG2     3.00
 &rst iat= 598,  -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= 600, 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HE     33 THR  MG2     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HA     40 TYR  HB3     4.00
 &rst iat= 610, 613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  40 TYR  HA     40 TYR  HB2     5.00
 &rst iat= 610, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 TYR  HA     40 TYR  HD      4.00
 &rst iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HB3    40 TYR  HD      4.00
 &rst iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HB2    40 TYR  HD      4.00
 &rst iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 THR  HA     41 THR  HB      4.00
 &rst iat= 631, 633, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  41 THR  HA     41 THR  MG2     3.00
 &rst iat= 631,  -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= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 THR  MG2    41 THR  HB      3.00
 &rst iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 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 CYS  HA     42 CYS  HB2     4.00
 &rst iat= 645, 647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  42 CYS  HA     42 CYS  HB3     4.00
 &rst iat= 645, 648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  43 ARG  HB3    43 ARG  HA      3.00
 &rst iat= 658, 655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  43 ARG  HB2    43 ARG  HA      3.00
 &rst iat= 657, 655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  43 ARG  QG     43 ARG  HB3     3.00
 &rst iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 660, 661,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ARG  QG     43 ARG  QD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 660, 661,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ASP  HA     44 ASP  HB3     4.00
 &rst iat= 679, 682, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  44 ASP  HA     44 ASP  HB2     3.00
 &rst iat= 679, 681, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  45 ASN  HA     45 ASN  HB3     3.00
 &rst iat= 691, 694, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  45 ASN  HA     45 ASN  HB2     4.00
 &rst iat= 691, 693, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  46 LYS  HA     46 LYS  HB+     3.00
 &rst iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 707, 708,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 ASP  HA     47 ASP  HB+     4.00
 &rst iat= 727,  -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= 729, 730,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 ASP  HA     47 ASP  HB-     3.00
 &rst iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 729, 730,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  48 CYS  HA     48 CYS  HB2     4.00
 &rst iat= 739, 741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  48 CYS  HA     48 CYS  HB3     4.00
 &rst iat= 739, 742, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  49 LEU  HA     49 LEU  HB-     3.00
 &rst iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 751, 752,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  HB+    49 LEU  HA      3.00
 &rst iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 751, 752,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  HB+    49 LEU  MDX     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 751, 752,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  HG     49 LEU  MDX     3.00
 &rst iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  MDX    49 LEU  HA      3.00
 &rst iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  MDX    49 LEU  HB-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,
 igr2= 751, 752,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  MDY    49 LEU  HA      3.00
 &rst iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 LEU  MDY    49 LEU  HG      3.00
 &rst iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 756, 757, 758, 760, 761, 762,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MG2     8 ILE  MG2     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  HA     50 ILE  MD1     3.00
 &rst iat= 768,  -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= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  HB     50 ILE  HG1-    4.00
 &rst iat= 770,  -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= 776, 777,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  HG1+   50 ILE  HB      3.00
 &rst iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 776, 777,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  HG1+   50 ILE  MD1     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 776, 777,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MD1    50 ILE  HB      4.00
 &rst iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MD1    50 ILE  HG1-    3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 776, 777,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MG2    50 ILE  HA      3.00
 &rst iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MG2    50 ILE  HB      3.00
 &rst iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MG2    50 ILE  HG1+    3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 776, 777,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MG2    50 ILE  HG1-    3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 776, 777,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MD1    54 GLN  HB-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 847, 848,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MG2    54 GLN  HB-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 847, 848,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  HG1+   61 CYS  HB3     3.00
 &rst iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 776, 777,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MD1    61 CYS  HB3     4.00
 &rst iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MD1    61 CYS  HB2     4.00
 &rst iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 ILE  MG2    62 ARG  HA      4.00
 &rst iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 772, 773, 774,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 ASP  HA     51 ASP  HB3     3.00
 &rst iat= 787, 790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  51 ASP  HA     51 ASP  HB2     4.00
 &rst iat= 787, 789, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  52 LYS  QD     11 ASP  HA      3.00
 &rst iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 807, 808,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  HG-    52 LYS  QB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 801, 802,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  HG-    52 LYS  QE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  QB     52 LYS  HA      3.00
 &rst iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 801, 802,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  QD     52 LYS  HA      3.00
 &rst iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 807, 808,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  QD     52 LYS  HG-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 807, 808,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  QD     52 LYS  QE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 807, 808,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 LYS  QE     52 LYS  HG+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 804, 805,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG  HA     53 ARG  QG      3.00
 &rst iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 826, 827,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG  QB     53 ARG  HA      3.00
 &rst iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 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
#
#  53 ARG  QG     53 ARG  QD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 826, 827,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 829, 830,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 GLN  HA     54 GLN  HB+     4.00
 &rst iat= 845,  -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= 847, 848,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 GLN  HA     54 GLN  HG-     5.00
 &rst iat= 845,  -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= 850, 851,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 GLN  HG+    54 GLN  HB-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 850, 851,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 847, 848,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 GLN  HG-    54 GLN  HB-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 850, 851,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 847, 848,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 ASN  HA     56 ASN  HB+     4.00
 &rst iat= 886,  -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= 888, 889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 ASN  HA     56 ASN  HB-     4.00
 &rst iat= 886,  -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= 888, 889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  58 CYS  HA     58 CYS  HB+     4.00
 &rst iat= 924,  -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= 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  HB2    59 GLN  HG+     4.00
 &rst iat= 936,  -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= 939, 940,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 GLN  HG+    59 GLN  HB3     4.00
 &rst iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 939, 940,   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 GLN  HG-    59 GLN  HA      4.00
 &rst iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 939, 940,   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 TYR  HA     40 TYR  HB2     4.00
 &rst iat= 951, 612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  61 CYS  HA     61 CYS  HB3     4.00
 &rst iat= 972, 975, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  61 CYS  HA     61 CYS  HB2     5.00
 &rst iat= 972, 974, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 CYS  HA     64 GLN  HB3     4.00
 &rst iat= 972,1030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  61 CYS  HA     64 GLN  HB2     4.00
 &rst iat= 972,1029, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  62 ARG  HA     50 ILE  MD1     4.00
 &rst iat= 982,  -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= 779, 780, 781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 ARG  HA     62 ARG  HB+     4.00
 &rst iat= 982,  -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= 984, 985,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HD     40 TYR  HD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HA     66 ALA  MB      5.00
 &rst iat=1006,  -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=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  HA     64 GLN  HB3     3.00
 &rst iat=1027,1030, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64 GLN  HA     64 GLN  HB2     4.00
 &rst iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  64 GLN  HG+    64 GLN  HB2     3.00
 &rst iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  HG-    64 GLN  HB2     3.00
 &rst iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 GLN  HA     67 LEU  MDY     4.00
 &rst iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  HA     65 LYS  HB-     3.00
 &rst iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1046,1047,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  HB+    65 LYS  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1046,1047,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1049,1050,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 LYS  HA     68 ALA  MB      3.00
 &rst iat=1044,  -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=1097,1098,1099,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  HA      8 ILE  HG1+    4.00
 &rst iat=1066,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  HA      8 ILE  HG1-    5.00
 &rst iat=1066,  -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= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  HA     66 ALA  MB      3.00
 &rst iat=1066,  -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=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  HA     69 MET  QB      5.00
 &rst iat=1066,  -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=1107,1108,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  MB     71 MET  HB2     3.00
 &rst iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  MB     71 MET  HG-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  MDX    63 TYR  HA      5.00
 &rst iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  HA     67 LEU  HB3     3.00
 &rst iat=1076,1079, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  67 LEU  HA     67 LEU  MDX     3.00
 &rst iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  HA     67 LEU  MDY     5.00
 &rst iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  HB3    67 LEU  MDX     4.00
 &rst iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  HB3    67 LEU  MDY     5.00
 &rst iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  HG     67 LEU  MDY     3.00
 &rst iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  MDX    67 LEU  HB2     3.00
 &rst iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  MDX    67 LEU  HG      3.00
 &rst iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 LEU  MDY    67 LEU  HB2     3.00
 &rst iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  MB     65 LYS  QD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1097,1098,1099,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1052,1053,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HA     68 ALA  MB      3.00
 &rst iat=1095,  -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=1097,1098,1099,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  ME      8 ILE  HA      4.00
 &rst iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  ME     65 LYS  QE      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  ME     66 ALA  HA      4.00
 &rst iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  HA     69 MET  QB      3.00
 &rst iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1107,1108,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  HG+    69 MET  QB      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1107,1108,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  ME     69 MET  HG+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  ME     69 MET  HG-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 MET  ME     69 MET  QB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1107,1108,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME      8 ILE  MD1     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME     18 TYR  HB2     4.00
 &rst iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME     20 VAL  MGX     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME     22 SER  HB+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME     66 ALA  MB      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME     69 MET  ME      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1116,1117,1118,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  HA     71 MET  HB2     4.00
 &rst iat=1131,1133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  71 MET  HA     71 MET  HB3     3.00
 &rst iat=1131,1134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  71 MET  HA     71 MET  HG-     3.00
 &rst iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  HG+    71 MET  HA      4.00
 &rst iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  HG+    71 MET  HB3     3.00
 &rst iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  HG-    71 MET  HB3     4.00
 &rst iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME     71 MET  HG+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME     71 MET  HG-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 LYS  HA     72 LYS  HB3     3.00
 &rst iat=1150,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 LYS  HA     72 LYS  HB2     4.00
 &rst iat=1150,1152, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  72 LYS  HA     72 LYS  HG+     3.00
 &rst iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1155,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 LYS  HB3    72 LYS  HG+     3.00
 &rst iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1155,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 LYS  QD     72 LYS  HA      3.00
 &rst iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1158,1159,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 LYS  QD     72 LYS  QE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1158,1159,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1161,1162,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  HA     30 PHE  HZ      3.00
 &rst iat=1172, 433, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  73 ARG  HA     34 VAL  MG1     4.00
 &rst iat=1172,  -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= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  HA     34 VAL  MG2     3.00
 &rst iat=1172,  -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= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  HA     73 ARG  HG+     3.00
 &rst iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  HA     73 ARG  HG-     3.00
 &rst iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  HG+    73 ARG  HD+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1180,1181,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  HG+    73 ARG  HD-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1180,1181,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ARG  HG-    73 ARG  HD+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1180,1181,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  HA     74 GLU  HG-     4.00
 &rst iat=1196,  -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=1201,1202,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  HA     74 GLU  QB      3.00
 &rst iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1198,1199,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  HG+    74 GLU  HA      4.00
 &rst iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1201,1202,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  HG+    74 GLU  QB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1201,1202,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1198,1199,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  MB     18 TYR  HB3     4.00
 &rst iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  HA     75 ALA  MB      3.00
 &rst iat=1211,  -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=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  MB     78 GLU  HB+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  MB     78 GLU  HB-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG1    31 LYS  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG2    31 LYS  HG+     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG1    34 VAL  HB      3.00
 &rst iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG1    34 VAL  MG1     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG2    34 VAL  HB      3.00
 &rst iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG2    34 VAL  MG1     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG1    35 ARG  HD-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 527, 528,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG1    35 ARG  HG-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 524, 525,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG2    73 ARG  HA      4.00
 &rst iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  HA     76 VAL  HB      4.00
 &rst iat=1221,1223, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 VAL  HA     76 VAL  MG1     3.00
 &rst iat=1221,  -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=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  HA     76 VAL  MG2     3.00
 &rst iat=1221,  -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=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG1    76 VAL  HB      3.00
 &rst iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1225,1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 VAL  MG2    76 VAL  HB      3.00
 &rst iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  QG     74 GLN  HA      4.00
 &rst iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1242,1243,   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 GLN  HA     77 GLN  HB-     3.00
 &rst iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1239,1240,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  HA     77 GLN  QG      3.00
 &rst iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1242,1243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 GLN  HB+    77 GLN  HA      3.00
 &rst iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1239,1240,   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 GLN  HB+    77 GLN  QG      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1239,1240,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1242,1243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  HB+    78 GLU  HA      3.00
 &rst iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  78 GLU  HB-    78 GLU  HA      4.00
 &rst iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  79 GLU  HA     79 GLU  HG+     3.00
 &rst iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1274,1275,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  79 GLU  HG-    79 GLU  HA      3.00
 &rst iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1274,1275,   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 GLU  QB     79 GLU  HA      3.00
 &rst iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1271,1272,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  HA     80 ARG  QG      3.00
 &rst iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1289,1290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  80 ARG  QG     80 ARG  HB+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1289,1290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1286,1287,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 GLN  QG     79 GLU  HA      5.00
 &rst iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1313,1314,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 GLN  HB3    81 GLN  QG      3.00
 &rst iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1313,1314,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 GLN  QG     81 GLN  HA      4.00
 &rst iat=  -1,1308, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1313,1314,   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 ARG  HA     82 ARG  HB+     4.00
 &rst iat=1325,  -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=1327,1328,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 ARG  HA     82 ARG  HB-     4.00
 &rst iat=1325,  -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=1327,1328,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HA      5 ILE  MD1     5.00
 &rst iat=  77,  -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=  88,  89,  90,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  HA     77 GLN  QG      5.00
 &rst iat=1196,  -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=1242,1243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 ARG  HA     35 ARG  HB3     5.00
 &rst iat= 465, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 ARG  HA     35 ARG  HG+     5.00
 &rst iat= 519,  -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= 524, 525,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 GLU  HA     77 GLN  HB-     5.00
 &rst iat=1196,  -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=1239,1240,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ALA  HA      8 ILE  MD1     5.00
 &rst iat=1066,  -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= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HG1+    5 ILE  MG2     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 ILE  HG1-    5 ILE  MG2     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=  85,  86,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  81,  82,  83,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 ARG  QG     82 ARG  HB+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1330,1331,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1327,1328,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE  MG2     8 ILE  MD1     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  HD+    35 ARG  HB3     4.00
 &rst iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 ARG  HD-    35 ARG  HB3     4.00
 &rst iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,   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 GLN  HA     80 ARG  HB-     5.00
 &rst iat=1237,  -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=1286,1287,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 ALA  HA     78 GLU  HB-     5.00
 &rst iat=1211,  -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=1256,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 THR  MG2    39 THR  HB      3.00
 &rst iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 600, 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET  ME      8 ILE  HG1-    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 124, 125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HA     63 TYR  QB      5.00
 &rst iat=1006,  -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=1008,1009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR  HA     40 TYR  HB3     5.00
 &rst iat= 951, 613, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 ILE  MG2    50 ILE  HB      5.00
 &rst iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 120, 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET ME      0 AMB 2:495            5.00    (# 495 34)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1066, 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL MGX     0 AMB 2:351            5.00    (# 351 31)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2=1142,1143,1144,1107,1108,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 LYS HA      0 AMB 2:151            5.00    (# 151 47)
 &rst iat= 374,  -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= 264, 269, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL MGY     0 AMB 2:346            5.00    (# 346 22)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2=1142,1143,1144,1107,1108,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 ILE MD1     0 AMB 2:547            5.00    (# 547 11)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 127, 128, 129,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,1134,   0,   0,   0,   0,   0,   &end
#
#  71 MET HG-     0 AMB 2:696            5.00    (# 696 85)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1142,1143,1144,1107,1108,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 VAL MGY     0 AMB 2:341            5.00    (# 341 31)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 507, 508, 509, 511, 512, 513,   0,   0,   0,   0,   0,   0,
 igr2=1174,1175,1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET ME      0 AMB 2:431            5.00    (# 431 20)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 288, 289, 290, 292, 293, 294,1134,   0,   0,   0,   0,   0,   &end
#
#  66 ALA MB      0 AMB 2:432            5.00    (# 432 29)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 127, 128, 129, 124, 125,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 VAL MGX     0 AMB 2:402            5.00    (# 402 11)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 288, 289, 290, 292, 293, 294,   0,   0,   0,   0,   0,   0,
 igr2= 217, 323, 324,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 MET ME      0 AMB 2:487            5.00    (# 487 21)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1=1142,1143,1144,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 118, 241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 HIS  HD      4 HIS  QB      5.00
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 HIS  HD     21 TYR  HD      3.00
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 HIS  HD     21 TYR  HE      5.00
 &rst iat=  71,  -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= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 HIS  QB     21 TYR  HD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1=  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HB-    21 TYR  HD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HB-    21 TYR  HE      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 219, 220,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HD-    21 TYR  HE      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 225, 226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QE     21 TYR  HD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 228, 229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QE     21 TYR  HE      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 228, 229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS  HD     17 HIS  HB3     4.00
 &rst iat= 250, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  17 HIS  HD     27 LYS  HB+     5.00
 &rst iat= 250,  -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= 376, 377,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  HD     18 TYR  HB3     3.00
 &rst iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 262, 271,   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 TYR  HD     18 TYR  HB2     3.00
 &rst iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 262, 271,   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 TYR  HE     30 PHE  HB-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 425, 426,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  HE     31 LYS  HB+     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 445, 446,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  HE     31 LYS  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 448, 449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  HD     71 MET  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 262, 271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  HD     21 TYR  HA      5.00
 &rst iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 306, 315,   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 TYR  HD     21 TYR  HE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 308, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 TYR  HD     21 TYR  QB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 306, 315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 302, 303,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 CYS  HA     29 PHE  HD      5.00
 &rst iat= 364,  -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= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HD     29 PHE  HA      4.00
 &rst iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HD     29 PHE  HB+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HD     29 PHE  HB-     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 405, 406,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     29 PHE  HD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     29 PHE  HZ      4.00
 &rst iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HD     30 PHE  HA      5.00
 &rst iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HD     30 PHE  HD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 409, 417,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HZ     40 TYR  HE      5.00
 &rst iat= 413,  -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= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     59 GLN  HA      3.00
 &rst iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     59 GLN  HB2     5.00
 &rst iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     59 GLN  HB3     5.00
 &rst iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     59 GLN  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 939, 940,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     59 GLN  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 939, 940,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HZ     59 GLN  HA      5.00
 &rst iat= 413, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 PHE  HZ     59 GLN  HB3     5.00
 &rst iat= 413, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 PHE  HE     62 ARG  HB+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 984, 985,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HZ     62 ARG  HB+     4.00
 &rst iat= 413,  -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= 984, 985,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     63 TYR  HA      5.00
 &rst iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HE     63 TYR  QB      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1008,1009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 PHE  HZ     63 TYR  QB      4.00
 &rst iat= 413,  -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=1008,1009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     30 PHE  HA      4.00
 &rst iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     30 PHE  HB+     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 425, 426,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     30 PHE  HB-     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 425, 426,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     30 PHE  HE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     34 VAL  MG1     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 507, 508, 509,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HE     34 VAL  MG2     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 511, 512, 513,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HA     63 TYR  HD      4.00
 &rst iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     63 TYR  HD      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     63 TYR  HE      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1014,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     66 ALA  MB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HE     66 ALA  MB      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     67 LEU  HG      5.00
 &rst iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HZ     67 LEU  HA      5.00
 &rst iat= 433,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 PHE  HE     71 MET  HB2     4.00
 &rst iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HZ     71 MET  HB3     4.00
 &rst iat= 433,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  30 PHE  HZ     71 MET  HG-     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=1136,1137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HE     73 ARG  HA      4.00
 &rst iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HE     73 ARG  HB-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1174,1175,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HE     73 ARG  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HZ     73 ARG  HA      4.00
 &rst iat= 433,1172, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  30 PHE  HZ     73 ARG  HB-     4.00
 &rst iat= 433,  -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=1174,1175,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HZ     73 ARG  HG-     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=1177,1178,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     76 VAL  HB      5.00
 &rst iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HD     76 VAL  MG2     3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  MG2    40 TYR  HE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  HB     63 TYR  HD      4.00
 &rst iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  HB     63 TYR  HE      5.00
 &rst iat= 491,  -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=1014,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  MG2    63 TYR  HD      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 THR  MG2    63 TYR  HE      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 493, 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1014,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  HB+    40 TYR  HE      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 LEU  MDX    40 TYR  HE      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 584, 585, 586, 588, 589, 590,   0,   0,   0,   0,   0,   0,
 igr2= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HD     40 TYR  HA      4.00
 &rst iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HD     40 TYR  HB3     3.00
 &rst iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HE     40 TYR  HB3     5.00
 &rst iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HE     40 TYR  HD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HE     59 GLN  HA      5.00
 &rst iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 TYR  HD     63 TYR  HD      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 THR  HA     60 TYR  HD      5.00
 &rst iat= 631,  -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= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 THR  MG2    60 TYR  HD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 CYS  HB3    60 TYR  HD      5.00
 &rst iat= 648,  -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= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LYS  HA     60 TYR  HE      5.00
 &rst iat= 705,  -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= 959, 964,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LYS  HB-    60 TYR  HE      4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 707, 708,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 959, 964,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR  HD     60 TYR  HA      5.00
 &rst iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 957, 966,   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 TYR  HD     60 TYR  HB3     4.00
 &rst iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 957, 966,   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 TYR  HD     60 TYR  HB2     4.00
 &rst iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 957, 966,   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 TYR  HE     60 TYR  HD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 959, 964,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR  HD     61 CYS  HA      4.00
 &rst iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 957, 966,   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 TYR  HD     64 GLN  HG+     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR  HE     64 GLN  HG+     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 959, 964,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR  HE     64 GLN  HG-     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 959, 964,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HD     63 TYR  HA      5.00
 &rst iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HD     63 TYR  QB      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1008,1009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HE     63 TYR  HD      3.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1014,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HD     66 ALA  MB      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1068,1069,1070,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HD     67 LEU  MDY     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1012,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HE     67 LEU  MDX     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1014,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  63 TYR  HE     67 LEU  MDY     4.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1014,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR  HE     64 GLN  HG+     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 959, 964,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1032,1033,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS  HD     27 LYS  HA      5.00
 &rst iat= 250, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 HIS  HD     27 LYS  HD+     5.00
 &rst iat= 250,  -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= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  HE     76 VAL  MG2     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1229,1230,1231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR  HD     30 PHE  HD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 262, 271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE  HZ     71 MET  HB2     5.00
 &rst iat= 433,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 PHE  HE     40 TYR  HE      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 411, 415,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 618, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS HD      0 AMB 2:113            5.00    (# 113 54)
 &rst iat= 250,  -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= 385, 386, 241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 HIS HD      0 AMB 2:52             5.00    (# 52 41)
 &rst iat= 250,  -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= 323, 324, 217,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:68    0 AMB 2:68             5.00    (# 68 6)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
 igr1= 264, 269, 262, 271,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1133,1134,1225,1226,1227,1229,1230,1231,   0,   0,   0,   0,   &end
#
#   0 AMB 1:67   27 LYS HD+              5.00    (# 67 29)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 264, 269, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 382, 383,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 TYR HD      0 AMB 2:102            5.00    (# 102 54)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 957, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 612, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 TYR HE      0 AMB 2:53             5.00    (# 53 112)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1221, 443,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:69    0 AMB 2:69             5.00    (# 69 58)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
 igr1= 264, 269, 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1225,1226,1227,1229,1230,1231, 493, 494, 495,   0,   0,   0,   &end
#
#   0 AMB 1:39   71 MET HB+              5.00    (# 39 112)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 429, 437, 433,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1133,1134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:62    0 AMB 2:62             5.00    (# 62 83)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1= 262, 271, 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1142,1143,1144, 445, 446,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:133   0 AMB 2:133            5.00    (# 133 60)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
 igr1= 429, 437, 433,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1223, 445, 446,1142,1143,1144,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:56    0 AMB 2:56             5.00    (# 56 50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 264, 269, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 374, 210, 211,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:55    0 AMB 2:55             5.00    (# 55 158)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 262, 271, 616, 625,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 256, 951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE HE      0 AMB 2:24             5.00    (# 24 13)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1136,1137,1174,1175,1177,1178,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:144   0 AMB 2:144            5.00    (# 144 193)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1= 250, 262, 271, 264, 269,   0,   0,   0,   0,   0,   0,   0,
 igr2= 382, 383,1133,1134,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:66   27 LYS QG               5.00    (# 66 18)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 250, 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 379, 380,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:140   0 AMB 2:140            5.00    (# 140 17)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
 igr1= 306, 315, 959, 964,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226, 600, 601, 602, 635, 636, 637,   0,   0,   0,   0,   &end
#
#   0 AMB 1:107  30 PHE HD               5.00    (# 107 500)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 262, 271, 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 429, 437,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:64    0 AMB 2:64             5.00    (# 64 116)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1= 262, 271, 264, 269,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 451, 452,1213,1214,1215,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 PHE HE      0 AMB 2:26             5.00    (# 26 2)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1= 431, 435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1134,1083,1084,1085,1087,1088,1089,   0,   0,   0,   0,   0,   &end
#


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