NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
492191 2k4k cing 1-original 1 AMBER distance NOE ambi


#
#   25 VAL  MGX          24 PHE  HA          5.50    (#      0:20  Unique         3.49, 5.55 A)
 &rst
  ixpk= 0, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:1        0 AMB  20-1:1      3.50    (#      1:20  Double Ambig)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 337, 338,1060,1061,1060,1061,
 igr2= 335,1090,
 &end
#
#   24 PHE  HB-          24 PHE  HA          4.50    (#      2:20  Unique         2.69, 2.84 A)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 337, 338,
 &end
#
#   34 LEU  MDY          24 PHE  HA          4.50    (#      3:20  Unique         2.34, 5.55 A)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:4       73 SER  HA          4.50    (#      4:20  Single Ambig)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1106,1054,1055, 938,
 &end
#
#    0 AMB  20-3:5       73 SER  HA          4.50    (#      5:20  Single Ambig)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1108,1109,1110,1112,1113,1114,1075,1076,1077, 940,
       941, 942, 944, 945, 946, 921, 922, 923, 925, 926,
       927,
 &end
#
#   73 SER  HB+          73 SER  HA          3.50    (#      6:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1092,1093,
 &end
#
#    0 AMB  20-3:7       75 SER  HA          4.50    (#      7:20  Single Ambig)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 564, 565, 564, 565,
 &end
#
#   75 SER  HB+          75 SER  HA          4.50    (#      8:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1122,1123,
 &end
#
#    0 AMB  20-3:9       75 SER  HA          4.50    (#      9:20  Single Ambig)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1142,1143,1144,1155,1156,
 &end
#
#   75 SER  HB-          75 SER  HA          5.50    (#     10:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1122,1123,
 &end
#
#   76 ILE  HB           75 SER  HA          4.50    (#     11:20  Unique         4.63, 4.70 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1133,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:12      60 VAL  HA          3.50    (#     12:20  Single Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 881,1139,1140,1139,1140,
 &end
#
#    0 AMB  20-3:13      60 VAL  HA          5.50    (#     13:20  Single Ambig)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1103,1104, 897, 898,
 &end
#
#    0 AMB  20-3:14      60 VAL  HA          5.50    (#     14:20  Single Ambig)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 897, 898,1176,1177,1178, 773, 774, 775, 777, 778,
       779,
 &end
#
#   79 THR  MG2          60 VAL  HA          3.50    (#     15:20  Unique         2.16, 3.96 A)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1188,1189,1190,
 &end
#
#    0 AMB  20-3:16      60 VAL  HA          5.50    (#     16:20  Single Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1192, 900, 901,
 &end
#
#   60 VAL  MGX          60 VAL  HA          4.50    (#     17:20  Unique         2.29, 3.50 A)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 883, 884, 885, 887, 888, 889,
 &end
#
#   60 VAL  MGY          60 VAL  HA          3.50    (#     18:20  Unique         2.29, 3.50 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 883, 884, 885, 887, 888, 889,
 &end
#
#   57 GLU  HB+          57 GLU  HA          3.50    (#     19:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 833, 834,
 &end
#
#   58 VAL  MGX          57 GLU  HA          5.50    (#     20:20  Unique         3.80, 5.41 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   57 GLU  HG+          57 GLU  HA          4.50    (#     21:20  Unique         2.25, 2.85 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 836, 837,
 &end
#
#    0 AMB  20-3:22      57 GLU  HA          4.50    (#     22:20  Single Ambig)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 200, 201, 200, 201, 194, 195, 194, 195,
 &end
#
#   14 LYS  HG-          57 GLU  HA          5.50    (#     23:20  Unique         2.00, 3.09 A)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 197, 198,
 &end
#
#   59 GLN  HG-          59 GLN  HA          4.50    (#     24:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 867, 868,
 &end
#
#   59 GLN  HB-          59 GLN  HA          3.50    (#     25:20  Unique         2.35, 2.58 A)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 864, 865,
 &end
#
#   60 VAL  MGX          59 GLN  HA          4.50    (#     26:20  Unique         3.36, 4.82 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 883, 884, 885, 887, 888, 889,
 &end
#
#   59 GLN  HB+          59 GLN  HA          4.50    (#     27:20  Unique         2.35, 2.58 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 864, 865,
 &end
#
#   59 GLN  HG+          59 GLN  HA          4.50    (#     28:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 867, 868,
 &end
#
#   27 LEU  HG           32 GLN  HA          4.50    (#     29:20  Unique         2.85, 3.56 A)
 &rst
  ixpk= 29, nxpk= 20, iat= 386, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ALA  MB           32 GLN  HA          4.50    (#     30:20  Unique         3.99, 4.63 A)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 373, 374, 375,
 &end
#
#    0 AMB  20-3:31      14 LYS  HA          2.80    (#     31:20  Single Ambig)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 194, 195, 194, 195,
 &end
#
#   58 VAL  MGX          14 LYS  HA          5.50    (#     32:20  Unique         2.54, 5.47 A)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   57 GLU  HB+          14 LYS  HA          4.50    (#     33:20  Unique         3.78, 4.73 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 833, 834,
 &end
#
#   14 LYS  HG+          14 LYS  HA          4.50    (#     34:20  Unique         2.27, 2.95 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 197, 198,
 &end
#
#    0 AMB  20-3:35      32 GLN  HA          4.50    (#     35:20  Single Ambig)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 461, 462, 461, 462,
 &end
#
#   32 GLN  HB-          32 GLN  HA          3.50    (#     36:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 458, 459,
 &end
#
#   32 GLN  HB+          32 GLN  HA          3.50    (#     37:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 458, 459,
 &end
#
#   61 LYS  HB-          61 LYS  HA          4.50    (#     38:20  Unique         2.32, 2.52 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 898,
 &end
#
#   61 LYS  HG-          61 LYS  HA          4.50    (#     39:20  Unique         2.54, 3.57 A)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 900, 901,
 &end
#
#   61 LYS  HB+          61 LYS  HA          4.50    (#     40:20  Unique         2.32, 2.52 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 898,
 &end
#
#    0 AMB  20-3:41      61 LYS  HA          4.50    (#     41:20  Single Ambig)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   15 VAL  MGY          14 LYS  HA          4.50    (#     42:20  Unique         3.62, 5.59 A)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#   61 LYS  HG+          61 LYS  HA          4.50    (#     43:20  Unique         2.54, 3.57 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 900, 901,
 &end
#
#   34 LEU  HB+          34 LEU  HA          4.50    (#     44:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 482, 483,
 &end
#
#   34 LEU  HB-          34 LEU  HA          4.50    (#     45:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 482, 483,
 &end
#
#   34 LEU  HG           34 LEU  HA          4.50    (#     46:20  Unique         3.26, 3.35 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 485, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LEU  MDY          34 LEU  HA          4.50    (#     47:20  Unique         2.10, 3.94 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   62 VAL  HA           74 LEU  HA          4.50    (#     48:20  Unique         2.24, 2.58 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 917,1101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  HB-          74 LEU  HA          4.50    (#     49:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1103,1104,
 &end
#
#    0 AMB  20-3:50      74 LEU  HA          3.50    (#     50:20  Single Ambig)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,1101, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 940, 941, 942, 944, 945, 946,1108,1109,1110,1112,
      1113,1114,
 &end
#
#    0 AMB  20-3:51      74 LEU  HA          4.50    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1106, 938,
 &end
#
#    0 AMB  20-3:52      23 ALA  HA          3.50    (#     52:20  Single Ambig)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 258, 259, 260, 262, 263, 264, 712, 713, 714,
 &end
#
#   23 ALA  MB           23 ALA  HA          2.80    (#     53:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 327, 328, 329,
 &end
#
#    0 AMB  20-3:54      23 ALA  HA          4.50    (#     54:20  Single Ambig)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 503, 504, 505, 507, 508, 509, 705, 706, 707, 800,
       801, 802, 804, 805, 806, 800, 801, 802, 804, 805,
       806,
 &end
#
#   12 THR  HB           12 THR  HA          4.50    (#     62:20  Unique         2.97, 3.01 A)
 &rst
  ixpk= 62, nxpk= 20, iat= 173, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:64      12 THR  HA          4.50    (#     64:20  Single Ambig)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 883, 884, 885, 887, 888, 889, 138, 139, 140, 142,
       143, 144,
 &end
#
#   10 VAL  HB           10 VAL  HA          3.50    (#     66:20  Unique         2.36, 2.93 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LYS  HG+          10 VAL  HA          5.50    (#     67:20  Unique         2.00, 4.68 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 900, 901,
 &end
#
#    0 AMB  20-3:68      10 VAL  HA          2.80    (#     68:20  Single Ambig)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#  105 PRO  HD+         104 THR  HA          4.50    (#     74:20  Unique         2.07, 2.43 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,1567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1580,1581,
 &end
#
#    0 AMB  20-3:75     104 THR  HA          4.50    (#     75:20  Single Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,1567, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1571,1572,1573,1575,
 &end
#
#  104 THR  HB          104 THR  HA          4.50    (#     76:20  Unique         2.32, 2.56 A)
 &rst
  ixpk= 76, nxpk= 20, iat=1569,1567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 PRO  HD-         104 THR  HA          4.50    (#     77:20  Unique         2.07, 2.43 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,1567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1580,1581,
 &end
#
#   74 LEU  HB+          35 VAL  HA          4.50    (#     78:20  Unique         2.74, 4.22 A)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1103,1104,
 &end
#
#   35 VAL  MGX          35 VAL  HA          3.50    (#     79:20  Unique         2.38, 3.36 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 503, 504, 505, 507, 508, 509,
 &end
#
#   35 VAL  HB           36 HIS  HA          7.00    (#     80:20  Unique         4.96, 5.29 A)
 &rst
  ixpk= 80, nxpk= 20, iat= 501, 515, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-3:81       0 AMB  20-1:81     3.50    (#     81:20  Double Ambig)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1103,1104, 485,
 igr2= 499, 515,
 &end
#
#    0 AMB  20-3:82      36 HIS  HA          4.50    (#     82:20  Single Ambig)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 581, 582, 583, 585, 586, 587,1142,1143,1144,
 &end
#
#   22 GLY  HA-          36 HIS  HA          4.50    (#     83:20  Unique         2.63, 3.43 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 318, 319,
 &end
#
#   36 HIS  HB+          36 HIS  HA          3.50    (#     84:20  Unique         2.52, 2.81 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 517, 518,
 &end
#
#   36 HIS  HB-          36 HIS  HA          3.50    (#     85:20  Unique         2.52, 2.81 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 517, 518,
 &end
#
#   34 LEU  MDY          36 HIS  HA          4.50    (#     86:20  Unique         3.15, 5.07 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#    9 SER  HB-           9 SER  HA          3.50    (#     89:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 125, 126,
 &end
#
#    0 AMB  20-3:90       9 SER  HA          4.50    (#     90:20  Single Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    9 SER  HB+           9 SER  HA          4.50    (#     91:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 125, 126,
 &end
#
#   67 GLU  HG+          67 GLU  HA          3.50    (#     92:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 995, 996,
 &end
#
#   67 GLU  HB+          67 GLU  HA          2.80    (#     93:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 992, 993,
 &end
#
#   41 THR  HB           41 THR  HA          3.50    (#     94:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 94, nxpk= 20, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 ARG  HB-          41 THR  HA          4.50    (#     95:20  Unique         2.17, 2.73 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#    0 AMB  20-3:96      41 THR  HA          4.50    (#     96:20  Single Ambig)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 581, 582, 583, 585, 586, 587, 771,
 &end
#
#    0 AMB  20-3:97      41 THR  HA          4.50    (#     97:20  Single Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 597, 598, 599, 601,
 &end
#
#   77 ARG  HA           41 THR  HA          5.50    (#     98:20  Unique         3.24, 3.62 A)
 &rst
  ixpk= 98, nxpk= 20, iat=1150, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ARG  HB+          41 THR  HA          5.50    (#     99:20  Unique         2.17, 2.73 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1152,1153,
 &end
#
#   68 GLU  HG-          68 GLU  HA          4.50    (#    100:20  Unique         2.15, 2.98 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1010,1011,
 &end
#
#    0 AMB  20-3:101     68 GLU  HA          2.80    (#    101:20  Single Ambig)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1007,1008,1007,1008,
 &end
#
#   67 GLU  HG+          67 GLU  HA          3.50    (#    102:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 995, 996,
 &end
#
#    0 AMB  20-3:103     67 GLU  HA          4.50    (#    103:20  Single Ambig)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#    0 AMB  20-3:104     77 ARG  HA          5.50    (#    104:20  Single Ambig)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1203,1204,1203,1204,
 &end
#
#   41 THR  HA           77 ARG  HA          5.50    (#    105:20  Unique         3.24, 3.62 A)
 &rst
  ixpk= 105, nxpk= 20, iat= 593,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ARG  HB+          77 ARG  HA          4.50    (#    107:20  Unique         2.37, 2.45 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#   77 ARG  HB-          77 ARG  HA          3.50    (#    108:20  Unique         2.37, 2.45 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1152,1153,
 &end
#
#    0 AMB  20-3:111    118 TRP  HA          3.50    (#    111:20  Single Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1793,1794,1793,1794,
 &end
#
#  108 PHE  HB-         108 PHE  HA          4.50    (#    117:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1621,1622,
 &end
#
#  108 PHE  HB+         108 PHE  HA          4.50    (#    118:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1621,1622,
 &end
#
#   44 PHE  HB+          44 PHE  HA          3.50    (#    119:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 633, 634,
 &end
#
#    0 AMB  20-3:120     44 PHE  HA          5.50    (#    120:20  Single Ambig)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 653, 675, 676, 675, 676,
 &end
#
#    0 AMB  20-3:121     44 PHE  HA          7.00    (#    121:20  Single Ambig)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 597, 598, 599, 601, 655, 656, 657, 659, 660, 661,
      
 &end
#
#    0 AMB  20-3:122      0 AMB  20-1:122    2.80    (#    122:20  Double Ambig)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 609, 610, 633, 634,
 igr2= 607, 631,
 &end
#
#    0 AMB  20-3:126    117 GLU  HA          3.50    (#    126:20  Single Ambig)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,1776, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1778,1779,1778,1779,
 &end
#
#    0 AMB  20-3:129    120 GLU  HA          4.50    (#    129:20  Single Ambig)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1839,1840,1839,1840,
 &end
#
#  120 GLU  HB-         120 GLU  HA          2.80    (#    130:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1836,1837,
 &end
#
#    0 AMB  20-3:131     46 LYS  HA          4.50    (#    131:20  Single Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673, 672, 673,
 &end
#
#    0 AMB  20-3:133     50 GLU  HA          7.00    (#    133:20  Single Ambig)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 722, 723, 691, 692,
 &end
#
#   50 GLU  HG+          50 GLU  HA          4.50    (#    134:20  Unique         2.12, 3.31 A)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 739, 740,
 &end
#
#   50 GLU  HG-          50 GLU  HA          3.50    (#    135:20  Unique         2.12, 3.31 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 739, 740,
 &end
#
#   50 GLU  HB+          50 GLU  HA          3.50    (#    136:20  Unique         2.35, 2.68 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 736, 737,
 &end
#
#   50 GLU  HB-          50 GLU  HA          3.50    (#    137:20  Unique         2.35, 2.68 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 736, 737,
 &end
#
#    4 LYS  HB+           4 LYS  HA          4.50    (#    138:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  45,  46,
 &end
#
#   51 HIS  HB-          51 HIS  HA          3.50    (#    139:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   51 HIS  HB+          51 HIS  HA          4.50    (#    140:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#    0 AMB  20-3:141     51 HIS  HA          7.00    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 771, 581, 582, 583, 585, 586, 587,
 &end
#
#    5 PHE  HB-           5 PHE  HA          4.50    (#    142:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    5 PHE  HB+           5 PHE  HA          3.50    (#    143:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  67,  68,
 &end
#
#    0 AMB  20-3:144     46 LYS  HA          2.80    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 669, 670, 669, 670,
 &end
#
#    0 AMB  20-3:145     46 LYS  HA          5.50    (#    145:20  Single Ambig)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 655, 656, 657, 659, 660, 661, 597, 598, 599,
 &end
#
#    0 AMB  20-3:146      4 LYS  HA          5.50    (#    146:20  Single Ambig)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  51,  52,  51,  52,
 &end
#
#    4 LYS  HB-           4 LYS  HA          4.50    (#    147:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  45,  46,
 &end
#
#    4 LYS  HG+           4 LYS  HA          4.50    (#    148:20  Unique         2.23, 3.10 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#    4 LYS  HG-           4 LYS  HA          4.50    (#    149:20  Unique         2.23, 3.10 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#   54 VAL  HA           53 SER  HA          5.50    (#    150:20  Unique         4.33, 4.36 A)
 &rst
  ixpk= 150, nxpk= 20, iat= 796, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 LEU  MDY          53 SER  HA          4.50    (#    151:20  Unique         2.12, 4.57 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 258, 259, 260, 262, 263, 264,
 &end
#
#   53 SER  HB+          53 SER  HA          3.50    (#    152:20  Unique         2.29, 2.78 A)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#   53 SER  HB-          53 SER  HA          4.50    (#    153:20  Unique         2.29, 2.78 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#  121 MET  HB-         121 MET  HA          4.50    (#    154:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,1849, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1851,1852,
 &end
#
#    0 AMB  20-3:157    124 ARG  HA          4.50    (#    157:20  Single Ambig)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1,1891, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1899,1900,1899,1900,
 &end
#
#    0 AMB  20-3:160     84 GLU  HA          4.50    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1254,1255,1254,1255,
 &end
#
#    0 AMB  20-3:161     84 GLU  HA          2.80    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1251,1252,1251,1252,
 &end
#
#    0 AMB  20-3:162     87 GLU  HA          4.50    (#    162:20  Single Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1308, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1313,1314,1313,1314,
 &end
#
#   87 GLU  HB-          87 GLU  HA          2.80    (#    163:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1308, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1310,1311,
 &end
#
#    0 AMB  20-3:165     85 LYS  HA          4.50    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1272,1273,1272,1273,
 &end
#
#    0 AMB  20-3:167      0 AMB  20-1:167    5.50    (#    167:20  Double Ambig)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1297,1298,1297,1298,1998,1999,1998,1999,
 igr2=1286,1987,
 &end
#
#    0 AMB  20-3:171    106 GLN  HA          5.50    (#    171:20  Single Ambig)
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1600,1601,1600,1601,
 &end
#
#    0 AMB  20-3:172    115 LEU  HA          4.50    (#    172:20  Single Ambig)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1749,1750,1751,1753,1754,1755,1749,1750,1751,1753,
      1754,1755,
 &end
#
#    0 AMB  20-3:173     30 GLU  HA          3.50    (#    173:20  Single Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 432, 433, 432, 433,
 &end
#
#   30 GLU  HB-          30 GLU  HA          3.50    (#    174:20  Unique         2.37, 2.47 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 429, 430,
 &end
#
#   27 LEU  MDX          27 LEU  HA          4.50    (#    175:20  Unique         1.99, 3.90 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   13 GLY  HA-          27 LEU  HA          4.50    (#    176:20  Unique         2.03, 3.21 A)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 185, 186,
 &end
#
#   27 LEU  HG           27 LEU  HA          4.50    (#    177:20  Unique         2.54, 3.08 A)
 &rst
  ixpk= 177, nxpk= 20, iat= 386, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HB+          27 LEU  HA          3.50    (#    178:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 383, 384,
 &end
#
#   27 LEU  MDY          27 LEU  HA          3.50    (#    179:20  Unique         1.99, 3.90 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   56 ASP  HB+          56 ASP  HA          4.50    (#    180:20  Unique         2.60, 2.84 A)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   56 ASP  HB-          56 ASP  HA          3.50    (#    181:20  Unique         2.60, 2.84 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   14 LYS  HG+          56 ASP  HA          5.50    (#    182:20  Unique         4.53, 5.90 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 197, 198,
 &end
#
#   15 VAL  MGY          56 ASP  HA          4.50    (#    183:20  Unique         4.75, 6.98 A)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:186      0 AMB  20-1:186    2.80    (#    186:20  Double Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  87,  88,  87,  88,1022,1023,
 igr2=  85,1020,
 &end
#
#    0 AMB  20-3:187     69 LYS  HA          4.50    (#    187:20  Single Ambig)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1028,1029,1028,1029,
 &end
#
#   69 LYS  HB-          69 LYS  HA          2.80    (#    188:20  Unique         2.48, 2.81 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1022,1023,
 &end
#
#   57 GLU  HB+          56 ASP  HA          4.50    (#    190:20  Unique         4.25, 4.62 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 833, 834,
 &end
#
#   71 LYS  HB+          71 LYS  HA          3.50    (#    193:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1051,1052,
 &end
#
#   71 LYS  HG+          71 LYS  HA          4.50    (#    194:20  Unique         2.18, 2.87 A)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#    0 AMB  20-3:195     71 LYS  HA          3.50    (#    195:20  Single Ambig)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1057,1058,1057,1058,1051,1052,
 &end
#
#   71 LYS  HG-          71 LYS  HA          4.50    (#    196:20  Unique         2.18, 2.87 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#   37 ILE  QD1          21 TYR  HA          4.50    (#    197:20  Unique         2.71, 4.47 A)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 543, 544, 545,
 &end
#
#   21 TYR  HB+          21 TYR  HA          3.50    (#    199:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 299, 300,
 &end
#
#   21 TYR  HB-          21 TYR  HA          2.80    (#    200:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 299, 300,
 &end
#
#   37 ILE  QG2          21 TYR  HA          3.50    (#    201:20  Unique         2.33, 3.75 A)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 536, 537, 538,
 &end
#
#   48 ILE  QG2          20 ALA  HA          4.50    (#    202:20  Unique         2.08, 3.80 A)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 705, 706, 707,
 &end
#
#    0 AMB  20-3:203    113 ASP  HA          2.80    (#    203:20  Single Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1710,1711,1710,1711,
 &end
#
#    0 AMB  20-3:209     80 GLN  HA          2.80    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1200,1201,1200,1201,
 &end
#
#    0 AMB  20-3:211     39 GLU  HA          4.50    (#    211:20  Single Ambig)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1155,1156,1152,1153,
 &end
#
#   20 ALA  MB           20 ALA  HA          2.80    (#    212:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 289, 290, 291,
 &end
#
#    0 AMB  20-3:213    126 ASP  HA          3.50    (#    213:20  Single Ambig)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,1937, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1939,1940,1939,1940,
 &end
#
#    0 AMB  20-3:216     89 LYS  HA          4.50    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1336,1337,1336,1337,
 &end
#
#    0 AMB  20-3:217     89 LYS  HA          5.50    (#    217:20  Single Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1339,1340,1339,1340,
 &end
#
#    0 AMB  20-3:218      0 AMB  20-1:218    3.50    (#    218:20  Double Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1355,1356,1415,1416,
 igr2=1334,1394,
 &end
#
#   90 PRO  HD-          89 LYS  HA          4.50    (#    219:20  Unique         2.07, 2.47 A)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1355,1356,
 &end
#
#    0 AMB  20-3:220      0 AMB  20-1:220    4.50    (#    220:20  Double Ambig)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1402,1403,1402,1403,1342,1343,1342,1343,
 igr2=1394,1334,
 &end
#
#    0 AMB  20-3:221      0 AMB  20-1:221    4.50    (#    221:20  Double Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1399,1400,1399,1400,1339,1340,1339,1340,
 igr2=1394,1334,
 &end
#
#    0 AMB  20-3:222      0 AMB  20-1:222    3.50    (#    222:20  Double Ambig)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1355,1356,1415,1416,
 igr2=1334,1394,
 &end
#
#    0 AMB  20-3:223      0 AMB  20-1:223    3.50    (#    223:20  Double Ambig)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1355,1356,1415,1416,
 igr2=1334,1394,
 &end
#
#    0 AMB  20-3:225      0 AMB  20-1:225    3.50    (#    225:20  Double Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1402,1403,1402,1403,1342,1343,1342,1343,
 igr2=1394,1334,
 &end
#
#   28 ASP  HB+          28 ASP  HA          2.80    (#    226:20  Unique         2.56, 2.81 A)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 402, 403,
 &end
#
#   78 ALA  MB           78 ALA  HA          2.80    (#    227:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1176,1177,1178,
 &end
#
#   77 ARG  HG+          78 ALA  HA          5.50    (#    228:20  Unique         3.18, 4.00 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155,1156,
 &end
#
#   19 GLN  HG-          19 GLN  HA          4.50    (#    230:20  Unique         2.11, 3.03 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 275, 276,
 &end
#
#   19 GLN  HG+          19 GLN  HA          4.50    (#    231:20  Unique         2.11, 3.03 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 275, 276,
 &end
#
#   19 GLN  HB+          19 GLN  HA          3.50    (#    232:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 272, 273,
 &end
#
#   19 GLN  HB-          19 GLN  HA          4.50    (#    233:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 272, 273,
 &end
#
#    7 VAL  HB           64 ALA  HA          5.50    (#    234:20  Unique         2.64, 4.09 A)
 &rst
  ixpk= 234, nxpk= 20, iat= 102, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#    235:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 954, 955, 956,
 &end
#
#    7 VAL  MGX          64 ALA  HA          3.50    (#    236:20  Unique         2.04, 4.24 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  20-3:237     64 ALA  HA          4.50    (#    237:20  Single Ambig)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 104, 105, 106, 108, 109, 110, 921, 922, 923, 925,
       926, 927,
 &end
#
#    0 AMB  20-3:238     64 ALA  HA          5.50    (#    238:20  Single Ambig)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 921, 922, 923, 925, 926, 927, 940, 941, 942, 944,
       945, 946,
 &end
#
#  102 ALA  MB          102 ALA  HA          4.50    (#    239:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1548,1549,1550,
 &end
#
#   96 ALA  MB           96 ALA  HA          2.80    (#    243:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1464,1465,1466,
 &end
#
#    4 LYS  HG+           3 ALA  HA          4.50    (#    244:20  Unique         3.44, 5.10 A)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#    2 ALA  MB            2 ALA  HA          4.50    (#    245:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  25,  26,  27,
 &end
#
#  104 THR  HB          105 PRO  HD+         4.50    (#    246:20  Unique         2.01, 4.14 A)
 &rst
  ixpk= 246, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1580,1581,
 &end
#
#    0 AMB  20-3:247      0 AMB  20-1:247    2.80    (#    247:20  Double Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1334,1567,1394,
 igr2=1355,1356,1580,1581,1415,1416,
 &end
#
#    0 AMB  20-3:248      0 AMB  20-1:248    5.50    (#    248:20  Double Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1556,1589,1364,1424,
 igr2=1580,1581,1355,1356,1415,1416,
 &end
#
#    0 AMB  20-3:255      0 AMB  20-1:255    2.80    (#    255:20  Double Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1334,1567,1394,
 igr2=1355,1356,1580,1581,1415,1416,
 &end
#
#    0 AMB  20-3:256      0 AMB  20-1:256    4.50    (#    256:20  Double Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1589,1364,1424,
 igr2=1580,1581,1355,1356,1415,1416,
 &end
#
#    0 AMB  20-3:259     90 PRO  HD-         4.50    (#    259:20  Single Ambig)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1336,1337,1336,1337,
 igr2=1355,1356,
 &end
#
#   82 ALA  MB           82 ALA  HA          3.50    (#    264:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1227,1228,1229,
 &end
#
#   36 HIS  HA           22 GLY  HA+         4.50    (#    277:20  Unique         2.63, 3.43 A)
 &rst
  ixpk= 277, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   48 ILE  QG2          22 GLY  HA+         4.50    (#    278:20  Unique         3.42, 6.92 A)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707,
 igr2= 318, 319,
 &end
#
#   34 LEU  MDY          22 GLY  HA+         4.50    (#    279:20  Unique         2.08, 5.49 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 318, 319,
 &end
#
#   48 ILE  QD1          22 GLY  HA+         4.50    (#    281:20  Unique         2.22, 4.20 A)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 712, 713, 714,
 igr2= 318, 319,
 &end
#
#   36 HIS  HA           22 GLY  HA-         4.50    (#    282:20  Unique         2.63, 3.43 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   37 ILE  HB           22 GLY  HA-         4.50    (#    284:20  Unique         2.89, 3.96 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   48 ILE  QD1          22 GLY  HA-         4.50    (#    285:20  Unique         2.22, 4.20 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 712, 713, 714,
 igr2= 318, 319,
 &end
#
#   34 LEU  MDY          22 GLY  HA-         4.50    (#    286:20  Unique         2.08, 5.49 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 318, 319,
 &end
#
#   54 VAL  MGY          17 GLY  HA+         3.50    (#    287:20  Unique         1.99, 4.21 A)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 800, 801, 802, 804, 805, 806,
 igr2= 244, 245,
 &end
#
#    0 AMB  20-3:290     17 GLY  HA-         3.50    (#    290:20  Single Ambig)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 800, 801, 802, 804, 805, 806, 800, 801, 802, 804,
       805, 806,
 igr2= 244, 245,
 &end
#
#    0 AMB  20-3:293      0 AMB  20-1:293    4.50    (#    293:20  Double Ambig)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 800, 801, 802, 804, 805, 806, 800, 801, 802, 804,
       805, 806, 104, 105, 106, 108, 109, 110,
 igr2= 812, 813, 812, 813, 116, 117,
 &end
#
#    0 AMB  20-3:295      0 AMB  20-1:295    4.50    (#    295:20  Double Ambig)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 906, 907, 906, 907,
 igr2= 116, 117, 116, 117,
 &end
#
#    0 AMB  20-3:296      8 GLY  HA-         4.50    (#    296:20  Single Ambig)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 104, 105, 106, 108, 109, 110, 921, 922, 923, 925,
       926, 927,
 igr2= 116, 117,
 &end
#
#    0 AMB  20-3:297      8 GLY  HA-         4.50    (#    297:20  Single Ambig)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 906, 907, 906, 907,
 igr2= 116, 117,
 &end
#
#    0 AMB  20-3:299     55 GLY  HA-         7.00    (#    299:20  Single Ambig)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 194, 195, 194, 195, 200, 201, 200, 201,
 igr2= 812, 813,
 &end
#
#    0 AMB  20-3:301     55 GLY  HA-         5.50    (#    301:20  Single Ambig)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 800, 801, 802, 804, 805, 806, 800, 801, 802, 804,
       805, 806,
 igr2= 812, 813,
 &end
#
#    0 AMB  20-3:303     55 GLY  HA-         5.50    (#    303:20  Single Ambig)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 194, 195, 194, 195, 200, 201, 200, 201,
 igr2= 812, 813,
 &end
#
#    0 AMB  20-3:304     33 GLY  HA-         4.50    (#    304:20  Single Ambig)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1106, 357,1054,1055,
 igr2= 473, 474,
 &end
#
#   72 ILE  HB           33 GLY  HA-         4.50    (#    305:20  Unique         2.04, 2.92 A)
 &rst
  ixpk= 305, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 473, 474,
 &end
#
#   74 LEU  MDY          33 GLY  HA-         2.80    (#    306:20  Unique         2.06, 4.68 A)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1108,1109,1110,1112,1113,1114,
 igr2= 473, 474,
 &end
#
#    0 AMB  20-3:307     33 GLY  HA-         5.50    (#    307:20  Single Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1106,1054,1055,
 igr2= 473, 474,
 &end
#
#    0 AMB  20-3:308      0 AMB  20-1:308    3.50    (#    308:20  Double Ambig)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1108,1109,1110,1112,1113,1114,1075,1076,1077, 883,
       884, 885, 887, 888, 889,
 igr2= 473, 474, 185, 186,
 &end
#
#    0 AMB  20-3:310      0 AMB  20-1:310    5.50    (#    310:20  Double Ambig)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 607, 631,
 igr2= 624, 625, 624, 625, 624, 625,
 &end
#
#    0 AMB  20-3:311      0 AMB  20-1:311    5.50    (#    311:20  Double Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 609, 610, 609, 610, 633, 634,
 igr2= 624, 625, 624, 625, 624, 625,
 &end
#
#   27 LEU  MDY          13 GLY  HA-         4.50    (#    313:20  Unique         2.11, 5.56 A)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 185, 186,
 &end
#
#   25 VAL  MGY          13 GLY  HA-         3.50    (#    314:20  Unique         2.03, 5.28 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 185, 186,
 &end
#
#   27 LEU  HA           13 GLY  HA-         4.50    (#    315:20  Unique         2.03, 3.21 A)
 &rst
  ixpk= 315, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 185, 186,
 &end
#
#   27 LEU  MDY          13 GLY  HA-         4.50    (#    316:20  Unique         2.11, 5.56 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 185, 186,
 &end
#
#    0 AMB  20-3:319      0 AMB  20-1:319    4.50    (#    319:20  Double Ambig)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 921, 922, 923, 925, 926, 927, 883, 884, 885, 887,
       888, 889,
 igr2= 152, 153, 152, 153,
 &end
#
#   27 LEU  MDY          11 TYR  HB+         4.50    (#    320:20  Unique         2.04, 4.76 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 152, 153,
 &end
#
#    0 AMB  20-3:324      0 AMB  20-1:324    2.80    (#    324:20  Double Ambig)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1896,1897,1896,1897,1896,1897,
 igr2=1899,1900,1899,1900,1899,1900,
 &end
#
#  124 ARG  HB-           0 AMB  20-1:326    4.50    (#    326:20  Single Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1893,1894,
 igr2=1899,1900,1899,1900,
 &end
#
#   28 ASP  HA           28 ASP  HB+         3.50    (#    329:20  Unique         2.56, 2.81 A)
 &rst
  ixpk= 329, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 402, 403,
 &end
#
#   28 ASP  HA           28 ASP  HB-         3.50    (#    330:20  Unique         2.56, 2.81 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 402, 403,
 &end
#
#  108 PHE  HA          108 PHE  HB-         4.50    (#    331:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 331, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1621,1622,
 &end
#
#   44 PHE  HA           44 PHE  HB-         3.50    (#    333:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 333, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 633, 634,
 &end
#
#   21 TYR  HA           21 TYR  HB+         3.50    (#    336:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 299, 300,
 &end
#
#  104 THR  HA          104 THR  HB          4.50    (#    337:20  Unique         2.32, 2.56 A)
 &rst
  ixpk= 337, nxpk= 20, iat=1567,1569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:338     79 THR  HB          4.50    (#    338:20  Single Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  20-3:339     79 THR  HB          3.50    (#    339:20  Single Ambig)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 900, 901,1188,1189,1190,
 &end
#
#   26 ALA  MB           16 THR  HB          5.50    (#    340:20  Unique         3.02, 5.56 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 373, 374, 375,
 &end
#
#   16 THR  HA           16 THR  HB          2.80    (#    341:20  Unique         2.39, 2.84 A)
 &rst
  ixpk= 341, nxpk= 20, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-3:342     16 THR  HB          2.80    (#    342:20  Single Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 238, 234, 235, 236,
 &end
#
#    0 AMB  20-3:343     16 THR  HB          5.50    (#    343:20  Single Ambig)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 218, 219, 220, 222, 223, 224, 800, 801, 802, 804,
       805, 806, 800, 801, 802, 804, 805, 806,
 &end
#
#    0 AMB  20-3:344    110 THR  HB          3.50    (#    344:20  Single Ambig)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1661,1657,1658,1659,
 &end
#
#  105 PRO  HD+         104 THR  HB          4.50    (#    346:20  Unique         2.01, 4.14 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1580,1581,
 &end
#
#    0 AMB  20-3:347    104 THR  HB          4.50    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1575,1571,1572,1573,
 &end
#
#    0 AMB  20-3:350     12 THR  HB          2.80    (#    350:20  Single Ambig)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 179, 175, 176, 177,
 &end
#
#   31 THR  HA           31 THR  HB          4.50    (#    352:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 352, nxpk= 20, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:353     31 THR  HB          3.50    (#    353:20  Single Ambig)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 383, 384, 383, 384,
 &end
#
#   27 LEU  MDX          31 THR  HB          4.50    (#    354:20  Unique         2.05, 5.02 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:355     31 THR  HB          3.50    (#    355:20  Single Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 450, 446, 447, 448,
 &end
#
#   41 THR  HA           41 THR  HB          3.50    (#    356:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 356, nxpk= 20, iat= 593, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 VAL  MGY          41 THR  HB          3.50    (#    357:20  Unique         2.99, 5.62 A)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:358     41 THR  HB          2.80    (#    358:20  Single Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 601, 597, 598, 599, 655, 656, 657, 659, 660, 661,
      
 &end
#
#   76 ILE  HB           40 VAL  HA          3.50    (#    359:20  Unique         1.99, 2.23 A)
 &rst
  ixpk= 359, nxpk= 20, iat=1133, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-3:360     40 VAL  HA          2.80    (#    360:20  Single Ambig)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1142,1143,1144, 581, 582, 583, 585, 586, 587, 503,
       504, 505, 507, 508, 509,
 &end
#
#   40 VAL  MGY          40 VAL  HA          3.50    (#    361:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:362      9 SER  HB-         5.50    (#    362:20  Single Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 900, 901, 104, 105, 106, 108, 109, 110,1103,1104,
      
 igr2= 125, 126,
 &end
#
#    0 AMB  20-3:363     54 VAL  HA          5.50    (#    363:20  Single Ambig)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 812, 813, 230,
 &end
#
#   55 GLY  HA-          54 VAL  HA          7.00    (#    364:20  Unique         4.41, 4.47 A)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 812, 813,
 &end
#
#   15 VAL  HB           54 VAL  HA          4.50    (#    365:20  Unique         2.00, 2.22 A)
 &rst
  ixpk= 365, nxpk= 20, iat= 216, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 VAL  HB           54 VAL  HA          4.50    (#    366:20  Unique         2.42, 2.81 A)
 &rst
  ixpk= 366, nxpk= 20, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:367     54 VAL  HA          2.80    (#    367:20  Single Ambig)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 218, 219, 220, 222, 223, 224, 800, 801, 802, 804,
       805, 806, 800, 801, 802, 804, 805, 806,
 &end
#
#    0 AMB  20-3:368      0 AMB  20-1:368    4.50    (#    368:20  Double Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
 igr1= 850, 851, 852, 854, 855, 856, 138, 139, 140, 142,
       143, 144, 138, 139, 140, 142, 143, 144, 258, 259,
       260, 262, 263, 264,
 igr2= 787, 788, 125, 126,
 &end
#
#    0 AMB  20-3:369      9 SER  HB-         4.50    (#    369:20  Single Ambig)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  87,  88,  87,  88, 102,
 igr2= 125, 126,
 &end
#
#    9 SER  HA            9 SER  HB+         3.50    (#    370:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 125, 126,
 &end
#
#    0 AMB  20-3:372      0 AMB  20-1:372    4.50    (#    372:20  Double Ambig)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  87,  88,  87,  88, 102,
 igr2= 125, 126, 125, 126, 125, 126,
 &end
#
#    0 AMB  20-3:375      0 AMB  20-1:375    3.50    (#    375:20  Double Ambig)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 850, 851, 852, 854, 855, 856, 800, 801, 802, 804,
       805, 806, 218, 219, 220, 222, 223, 224,
 igr2= 787, 788, 787, 788, 787, 788,
 &end
#
#   18 LEU  MDX          53 SER  HB+         5.50    (#    376:20  Unique         4.40, 6.94 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 258, 259, 260, 262, 263, 264,
 igr2= 787, 788,
 &end
#
#   58 VAL  MGX          53 SER  HB+         4.50    (#    377:20  Unique         3.57, 7.37 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 850, 851, 852, 854, 855, 856,
 igr2= 787, 788,
 &end
#
#   53 SER  HA           53 SER  HB+         3.50    (#    378:20  Unique         2.29, 2.78 A)
 &rst
  ixpk= 378, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 787, 788,
 &end
#
#    0 AMB  20-3:381      0 AMB  20-1:381    2.80    (#    381:20  Double Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 123, 785,
 igr2= 125, 126, 787, 788,
 &end
#
#    0 AMB  20-3:383     53 SER  HB-         5.50    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 819, 749,
 igr2= 787, 788,
 &end
#
#    0 AMB  20-3:386     51 HIS  HB-         4.50    (#    386:20  Single Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 581, 582, 583, 585, 586, 587, 771,
 igr2= 751, 752,
 &end
#
#   51 HIS  HA           51 HIS  HB-         4.50    (#    387:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 387, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 751, 752,
 &end
#
#   62 VAL  HB            7 VAL  HA          3.50    (#    388:20  Unique         2.27, 4.03 A)
 &rst
  ixpk= 388, nxpk= 20, iat= 919, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 VAL  MGX           7 VAL  HA          3.50    (#    390:20  Unique         2.28, 3.44 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  20-3:391      7 VAL  HA          2.80    (#    391:20  Single Ambig)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 921, 922, 923, 925, 926, 927, 104, 105, 106, 108,
       109, 110,
 &end
#
#   62 VAL  MGX           7 VAL  HA          2.80    (#    392:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#   63 LEU  MDY          75 SER  HB+         3.50    (#    394:20  Unique         2.01, 4.08 A)
 &rst
  ixpk= 394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-3:396     75 SER  HB-         5.50    (#    396:20  Single Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 935, 936, 935, 936,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-3:397     75 SER  HB-         3.50    (#    397:20  Single Ambig)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1176,1177,1178, 938,
 igr2=1122,1123,
 &end
#
#   63 LEU  MDY          75 SER  HB-         4.50    (#    398:20  Unique         2.01, 4.08 A)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2=1122,1123,
 &end
#
#   63 LEU  MDX          75 SER  HB-         4.50    (#    399:20  Unique         2.01, 4.08 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-3:401      0 AMB  20-1:401    4.50    (#    401:20  Double Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 935, 936, 935, 936,
 igr2=1092,1093,1092,1093,
 &end
#
#    0 AMB  20-3:402      0 AMB  20-1:402    3.50    (#    402:20  Double Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 954, 955, 956,1054,1055,
 igr2=1092,1093,1092,1093,
 &end
#
#   63 LEU  MDY          73 SER  HB+         4.50    (#    403:20  Unique         2.44, 5.34 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2=1092,1093,
 &end
#
#    0 AMB  20-3:404     73 SER  HB-         4.50    (#    404:20  Single Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 935, 936, 935, 936,
 igr2=1092,1093,
 &end
#
#    0 AMB  20-3:405     73 SER  HB-         3.50    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 954, 955, 956,1054,1055,
 igr2=1092,1093,
 &end
#
#   63 LEU  MDY          73 SER  HB-         4.50    (#    406:20  Unique         2.44, 5.34 A)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2=1092,1093,
 &end
#
#    0 AMB  20-3:407     73 SER  HB-         5.50    (#    407:20  Single Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 940, 941, 942, 944, 945, 946, 921, 922, 923, 925,
       926, 927,
 igr2=1092,1093,
 &end
#
#    0 AMB  20-3:413      0 AMB  20-1:413    2.80    (#    413:20  Double Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1556,1505,
 igr2=1558,1559,1558,1559,1507,1508,1507,1508,
 &end
#
#   15 VAL  MGY          15 VAL  HA          3.50    (#    416:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#   15 VAL  MGX          15 VAL  HA          3.50    (#    417:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#   25 VAL  MGX          15 VAL  HA          3.50    (#    418:20  Unique         1.99, 3.81 A)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  MGY          15 VAL  HA          4.50    (#    419:20  Unique         1.99, 3.81 A)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   37 ILE  QG2           0 AMB  20-1:420    5.50    (#    420:20  Single Ambig)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 536, 537, 538,
 igr2= 553, 554, 553, 554,
 &end
#
#   22 GLY  HA-          37 ILE  HA          4.50    (#    421:20  Unique         2.85, 4.11 A)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 318, 319,
 &end
#
#    0 AMB  20-3:422     37 ILE  HA          2.80    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 540, 541, 540, 541, 534,
 &end
#
#   40 VAL  MGX          37 ILE  HA          2.80    (#    423:20  Unique         2.00, 4.17 A)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:425     37 ILE  HA          3.50    (#    425:20  Single Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 581, 582, 583, 585, 586, 587, 712, 713, 714,
 &end
#
#   36 HIS  HA           36 HIS  HB+         4.50    (#    427:20  Unique         2.52, 2.81 A)
 &rst
  ixpk= 427, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 517, 518,
 &end
#
#    0 AMB  20-3:428     31 THR  HA          2.80    (#    428:20  Single Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 450, 446, 447, 448,
 &end
#
#   42 HIS  HA           42 HIS  HB+         4.50    (#    432:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 609, 610,
 &end
#
#   31 THR  HB           31 THR  HA          4.50    (#    433:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 433, nxpk= 20, iat= 444, 442, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:434      0 AMB  20-1:434    3.50    (#    434:20  Double Ambig)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1586,1587,1361,1362,1421,1422,
 igr2=1589,1364,1424,
 &end
#
#    0 AMB  20-3:436      0 AMB  20-1:436    5.50    (#    436:20  Double Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1580,1581,1355,1356,1415,1416,
 igr2=1589,1364,1424,
 &end
#
#    0 AMB  20-3:437      0 AMB  20-1:437    2.80    (#    437:20  Double Ambig)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1586,1587,1361,1362,1421,1422,
 igr2=1589,1364,1424,
 &end
#
#    0 AMB  20-3:441     83 PRO  HA          3.50    (#    441:20  Single Ambig)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1240,1241,1254,1255,
 &end
#
#   62 VAL  HB           62 VAL  HA          5.50    (#    443:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 VAL  MGY          62 VAL  HA          3.50    (#    444:20  Unique         2.26, 3.35 A)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  20-3:445     62 VAL  HA          5.50    (#    445:20  Single Ambig)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 938,1106, 897, 898,
 &end
#
#    0 AMB  20-3:446     62 VAL  HA          2.80    (#    446:20  Single Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1108,1109,1110,1112,1113,1114, 921, 922, 923, 925,
       926, 927,
 &end
#
#    0 AMB  20-3:452    110 THR  HA          3.50    (#    452:20  Single Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,1659,1661,
 &end
#
#   98 VAL  HB           98 VAL  HA          5.50    (#    453:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 453, nxpk= 20, iat=1491,1489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:454     98 VAL  HA          4.50    (#    454:20  Single Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,1489, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1493,1494,1495,1497,1498,1499,1493,1494,1495,1497,
      1498,1499,
 &end
#
#  119 ILE  HB          119 ILE  HA          4.50    (#    455:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 455, nxpk= 20, iat=1817,1815, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 ILE  HG1+        119 ILE  HA          5.50    (#    456:20  Unique         2.26, 3.15 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,1815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1823,1824,
 &end
#
#  119 ILE  HG1-        119 ILE  HA          4.50    (#    457:20  Unique         2.26, 3.15 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,1815, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1823,1824,
 &end
#
#    0 AMB  20-3:458    119 ILE  HA          4.50    (#    458:20  Single Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,1815, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1826,1827,1828,1819,1820,1821,
 &end
#
#    0 AMB  20-3:459     16 THR  HA          3.50    (#    459:20  Single Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 800, 801, 802, 804, 805, 806, 800, 801, 802, 804,
       805, 806,
 &end
#
#   16 THR  HB           16 THR  HA          3.50    (#    461:20  Unique         2.39, 2.84 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 232, 230, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-3:462     16 THR  HA          3.50    (#    462:20  Single Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 234, 235, 236, 238,
 &end
#
#   72 ILE  HA           65 VAL  HA          3.50    (#    463:20  Unique         2.49, 2.86 A)
 &rst
  ixpk= 463, nxpk= 20, iat=1071, 962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ILE  HG1-         65 VAL  HA          4.50    (#    464:20  Unique         3.31, 4.84 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1079,1080,
 &end
#
#    0 AMB  20-3:465     65 VAL  HA          2.80    (#    465:20  Single Ambig)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#    0 AMB  20-3:466     65 VAL  HA          4.50    (#    466:20  Single Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1075,1076,1077, 921, 922, 923, 925, 926, 927,
 &end
#
#   65 VAL  HA           72 ILE  HA          4.50    (#    470:20  Unique         2.49, 2.86 A)
 &rst
  ixpk= 470, nxpk= 20, iat= 962,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 ILE  HG1-         72 ILE  HA          4.50    (#    471:20  Unique         2.57, 3.02 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1079,1080,
 &end
#
#    0 AMB  20-3:472     72 ILE  HA          4.50    (#    472:20  Single Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#   72 ILE  QG2          72 ILE  HA          3.50    (#    473:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1075,1076,1077,
 &end
#
#   44 PHE  HA           45 VAL  HA          5.50    (#    474:20  Unique         4.36, 4.39 A)
 &rst
  ixpk= 474, nxpk= 20, iat= 631, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:475     45 VAL  HA          3.50    (#    475:20  Single Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 597, 598, 599, 655, 656, 657, 659, 660, 661, 601,
      
 &end
#
#   45 VAL  MGX          45 VAL  HA          3.50    (#    476:20  Unique         2.24, 3.40 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#  118 TRP  HA            0 AMB  20-1:477    3.50    (#    477:20  Single Ambig)
 &rst
  ixpk= 477, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1793,1794,1793,1794,
 &end
#
#  128 ILE  HB          128 ILE  HA          5.50    (#    478:20  Unique         2.33, 2.46 A)
 &rst
  ixpk= 478, nxpk= 20, iat=1970,1968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:479    128 ILE  HA          4.50    (#    479:20  Single Ambig)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,1968, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1979,1980,1981,1972,1973,1974,
 &end
#
#   25 VAL  MGX          25 VAL  HA          4.50    (#    481:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  MGY          25 VAL  HA          4.50    (#    482:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:483     38 SER  HA          3.50    (#    483:20  Single Ambig)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 553, 554, 553, 554,
 &end
#
#    0 AMB  20-3:484     38 SER  HA          5.50    (#    484:20  Single Ambig)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 536, 537, 538, 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:489      0 AMB  20-1:489    2.80    (#    489:20  Double Ambig)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1819,1820,1821,1826,1827,1828,
 igr2=1823,1824,1823,1824,
 &end
#
#  119 ILE  HA          119 ILE  HG1-        5.50    (#    490:20  Unique         2.26, 3.15 A)
 &rst
  ixpk= 490, nxpk= 20, iat=1815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1823,1824,
 &end
#
#    0 AMB  20-3:491    119 ILE  HG1-        2.80    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1819,1820,1821,1826,1827,1828,
 igr2=1823,1824,
 &end
#
#    0 AMB  20-3:515      0 AMB  20-1:515    4.50    (#    515:20  Double Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1891,1667,1949,
 igr2=1896,1897,1896,1897,1672,1954,
 &end
#
#    0 AMB  20-3:516      0 AMB  20-1:516    4.50    (#    516:20  Double Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1899,1900,1899,1900,1899,1900,
 igr2=1896,1897,1896,1897,1896,1897,
 &end
#
#   52 LEU  HB+          52 LEU  HG          2.80    (#    524:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 768, 769,
 &end
#
#   27 LEU  HB+          27 LEU  HG          3.50    (#    529:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 383, 384,
 &end
#
#   51 HIS  HB-          52 LEU  HG          7.00    (#    530:20  Unique         2.70, 3.36 A)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 751, 752,
 &end
#
#   51 HIS  HB+          52 LEU  HG          7.00    (#    531:20  Unique         2.70, 3.36 A)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 751, 752,
 &end
#
#   52 LEU  HB-          52 LEU  HG          3.50    (#    532:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 768, 769,
 &end
#
#   76 ILE  QG2          52 LEU  HG          5.50    (#    533:20  Unique         2.52, 5.12 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1135,1136,1137,
 &end
#
#    0 AMB  20-3:534     52 LEU  HG          2.80    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 773, 774, 775, 777, 778, 779, 581, 582, 583, 585,
       586, 587,
 &end
#
#    0 AMB  20-3:539     27 LEU  HG          4.50    (#    539:20  Single Ambig)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 883, 884, 885, 887, 888, 889,1075,1076,1077, 921,
       922, 923, 925, 926, 927,
 &end
#
#   27 LEU  MDY          27 LEU  HG          3.50    (#    540:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  MDX          27 LEU  HG          3.50    (#    541:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   49 ASN  HB-          18 LEU  MDY         7.00    (#    543:20  Unique         2.01, 5.21 A)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 722, 723,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#    0 AMB  20-3:544     18 LEU  MDY         3.50    (#    544:20  Single Ambig)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 720, 785,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   18 LEU  HB+          18 LEU  MDY         3.50    (#    545:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 253, 254,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   18 LEU  HG           18 LEU  MDY         2.80    (#    546:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 546, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   36 HIS  HB+          34 LEU  MDX         4.50    (#    549:20  Unique         3.51, 6.72 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 517, 518,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HB+          34 LEU  MDX         2.80    (#    550:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 482, 483,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HG           34 LEU  MDX         2.80    (#    553:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   33 GLY  HA-          74 LEU  MDY         4.50    (#    554:20  Unique         2.06, 4.68 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 473, 474,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   60 VAL  HB           74 LEU  MDY         4.50    (#    555:20  Unique         2.17, 4.49 A)
 &rst
  ixpk= 555, nxpk= 20, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HB+          74 LEU  MDY         4.50    (#    556:20  Unique         2.14, 3.26 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1103,1104,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#    0 AMB  20-3:557     74 LEU  MDY         2.80    (#    557:20  Single Ambig)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1106, 357,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HB-          74 LEU  MDY         3.50    (#    558:20  Unique         2.14, 3.26 A)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1103,1104,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#    0 AMB  20-3:559     74 LEU  MDY         4.50    (#    559:20  Single Ambig)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 921, 922, 923, 925, 926, 927, 503, 504, 505, 507,
       508, 509,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   25 VAL  MGY          74 LEU  MDY         4.50    (#    561:20  Unique         2.89, 6.81 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   27 LEU  MDY          74 LEU  MDY         4.50    (#    562:20  Unique         3.11, 6.73 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   27 LEU  MDX          74 LEU  MDY         4.50    (#    563:20  Unique         3.11, 6.73 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#    0 AMB  20-3:568     63 LEU  MDY         4.50    (#    568:20  Single Ambig)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 906, 907, 906, 907,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:569      0 AMB  20-1:569    3.50    (#    569:20  Double Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 318, 319, 933,
 igr2= 487, 488, 489, 491, 492, 493, 940, 941, 942, 944,
       945, 946,
 &end
#
#    0 AMB  20-3:570     63 LEU  MDY         3.50    (#    570:20  Single Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1122,1123,1092,1093,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:571      0 AMB  20-1:571    4.50    (#    571:20  Double Ambig)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1122,1123, 318, 319,
 igr2= 940, 941, 942, 944, 945, 946, 487, 488, 489, 491,
       492, 493,
 &end
#
#    0 AMB  20-3:574      0 AMB  20-1:574    5.50    (#    574:20  Double Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 275, 276,1133,
 igr2= 487, 488, 489, 491, 492, 493, 940, 941, 942, 944,
       945, 946,
 &end
#
#    0 AMB  20-3:575     63 LEU  MDY         2.80    (#    575:20  Single Ambig)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 938,1176,1177,1178,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:597     18 LEU  MDX         4.50    (#    597:20  Single Ambig)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 720, 785,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   54 VAL  HA           18 LEU  MDX         5.50    (#    598:20  Unique         2.70, 5.25 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   18 LEU  HB+          18 LEU  MDX         3.50    (#    599:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 253, 254,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   52 LEU  HB+          18 LEU  MDX         3.50    (#    600:20  Unique         2.00, 4.15 A)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 768, 769,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   52 LEU  HB-          18 LEU  MDX         2.80    (#    601:20  Unique         2.00, 4.15 A)
 &rst
  ixpk= 601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 768, 769,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   23 ALA  MB           18 LEU  MDX         2.80    (#    602:20  Unique         2.00, 4.80 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 327, 328, 329,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   46 LYS  HA            0 AMB  20-1:606    4.50    (#    606:20  Single Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 672, 673, 672, 673,
 &end
#
#   44 PHE  HB-           0 AMB  20-1:607    4.50    (#    607:20  Single Ambig)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 633, 634,
 igr2= 672, 673, 672, 673,
 &end
#
#    0 AMB  20-3:609      0 AMB  20-1:609    4.50    (#    609:20  Double Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 203, 204, 203, 204,
 igr2= 197, 198, 197, 198,
 &end
#
#    4 LYS  HA            4 LYS  HG+         4.50    (#    611:20  Unique         2.23, 3.10 A)
 &rst
  ixpk= 611, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  48,  49,
 &end
#
#    0 AMB  20-3:612      0 AMB  20-1:612    5.50    (#    612:20  Double Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
 igr1=  54,  55,  54,  55, 906, 907, 906, 907,
 igr2=  48,  49,  48,  49, 900, 901, 900, 901,
 &end
#
#    4 LYS  HB-           4 LYS  HG+         3.50    (#    613:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  45,  46,
 igr2=  48,  49,
 &end
#
#    0 AMB  20-3:614      0 AMB  20-1:614    4.50    (#    614:20  Double Ambig)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1949,1667,
 igr2=1956,1957,1958,1960,1961,1962,1674,1675,1676,1678,
      1679,1680,
 &end
#
#    0 AMB  20-3:617     77 ARG  HG-         5.50    (#    617:20  Single Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904, 903, 904, 897, 898,
 igr2=1155,1156,
 &end
#
#    0 AMB  20-3:618      4 LYS  HG-         4.50    (#    618:20  Single Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  54,  55,  54,  55,
 igr2=  48,  49,
 &end
#
#   89 LYS  HA            0 AMB  20-1:621    7.00    (#    621:20  Single Ambig)
 &rst
  ixpk= 621, nxpk= 20, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1339,1340,1339,1340,
 &end
#
#    0 AMB  20-3:626     14 LYS  HG-         3.50    (#    626:20  Single Ambig)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 203, 204, 203, 204,
 igr2= 197, 198,
 &end
#
#   27 LEU  HA           27 LEU  MDX         5.50    (#    631:20  Unique         1.99, 3.90 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   31 THR  HB           27 LEU  MDX         5.50    (#    632:20  Unique         2.05, 5.02 A)
 &rst
  ixpk= 632, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:635     27 LEU  MDX         5.50    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 185, 186, 473, 474,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:636     27 LEU  MDX         5.50    (#    636:20  Single Ambig)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  67,  68, 867, 868,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   72 ILE  HB           27 LEU  MDX         5.50    (#    637:20  Unique         3.15, 7.33 A)
 &rst
  ixpk= 637, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:638     27 LEU  MDX         2.80    (#    638:20  Single Ambig)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 446, 447, 448, 386,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:639     27 LEU  MDX         4.50    (#    639:20  Single Ambig)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 921, 922, 923, 925, 926, 927, 966, 967, 968, 970,
       971, 972,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:640     27 LEU  MDX         2.80    (#    640:20  Single Ambig)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1108,1109,1110,1112,1113,1114,1075,1076,1077, 883,
       884, 885, 887, 888, 889,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   25 VAL  MGY          27 LEU  MDX         3.50    (#    641:20  Unique         2.64, 7.32 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   33 GLY  HA-          74 LEU  MDX         5.50    (#    651:20  Unique         2.06, 4.68 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 473, 474,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   62 VAL  HA           74 LEU  MDX         3.50    (#    652:20  Unique         2.00, 4.41 A)
 &rst
  ixpk= 652, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HB+          74 LEU  MDX         4.50    (#    654:20  Unique         2.14, 3.26 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1103,1104,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HG           74 LEU  MDX         4.50    (#    655:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 655, nxpk= 20, iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HB-          74 LEU  MDX         3.50    (#    656:20  Unique         2.14, 3.26 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1103,1104,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   62 VAL  MGY          74 LEU  MDX         4.50    (#    657:20  Unique         2.00, 5.75 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 921, 922, 923, 925, 926, 927,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   27 LEU  MDY          74 LEU  MDX         4.50    (#    659:20  Unique         3.11, 6.73 A)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   27 LEU  MDX          74 LEU  MDX         3.50    (#    660:20  Unique         3.11, 6.73 A)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   76 ILE  HA           60 VAL  MGY         4.50    (#    661:20  Unique         2.91, 6.00 A)
 &rst
  ixpk= 661, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:662     60 VAL  MGY         4.50    (#    662:20  Single Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 848, 501,1133,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:663     60 VAL  MGY         2.80    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1139,1140,1139,1140, 881,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:664     60 VAL  MGY         3.50    (#    664:20  Single Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1103,1104,1188,1189,1190,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:665     60 VAL  MGY         4.50    (#    665:20  Single Ambig)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1142,1143,1144, 503, 504, 505, 507, 508, 509,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   25 VAL  MGY          60 VAL  MGY         3.50    (#    666:20  Unique         2.20, 5.36 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   27 LEU  MDY          60 VAL  MGY         5.50    (#    667:20  Unique         3.32, 7.64 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:669     40 VAL  MGX         4.50    (#    669:20  Single Ambig)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 709, 710, 709, 710,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:670     60 VAL  MGY         5.50    (#    670:20  Single Ambig)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 357, 773, 774, 775, 777, 778, 779,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:672     52 LEU  MDX         5.50    (#    672:20  Single Ambig)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 749, 499,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#   51 HIS  HB-          52 LEU  MDX         5.50    (#    673:20  Unique         3.77, 5.49 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 751, 752,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#    0 AMB  20-3:674     52 LEU  MDX         4.50    (#    674:20  Single Ambig)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 751, 752, 821, 822,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#   56 ASP  HB-          52 LEU  MDX         5.50    (#    675:20  Unique         5.33, 8.28 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 821, 822,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#    0 AMB  20-3:676     52 LEU  MDX         5.50    (#    676:20  Single Ambig)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1203,1204,1203,1204,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#    0 AMB  20-3:677     52 LEU  MDX         7.00    (#    677:20  Single Ambig)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=1133, 848, 501,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#    0 AMB  20-3:678     52 LEU  MDX         7.00    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1=1139,1140,1139,1140,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#   52 LEU  HB-          52 LEU  MDX         3.50    (#    680:20  Unique         2.09, 3.26 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 768, 769,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#    0 AMB  20-3:681     52 LEU  MDX         2.80    (#    681:20  Single Ambig)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 581, 582, 583, 585, 586, 587, 771,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#   25 VAL  MGY          52 LEU  MDX         5.50    (#    682:20  Unique         3.97, 7.44 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#    0 AMB  20-3:689      0 AMB  20-1:689    3.50    (#    689:20  Double Ambig)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1949,1667,
 igr2=1956,1957,1958,1960,1961,1962,1674,1675,1676,1678,
      1679,1680,
 &end
#
#   64 ALA  HA            7 VAL  MGX         2.80    (#    691:20  Unique         2.04, 4.24 A)
 &rst
  ixpk= 691, nxpk= 20, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#    7 VAL  HA            7 VAL  MGX         2.80    (#    692:20  Unique         2.28, 3.44 A)
 &rst
  ixpk= 692, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  20-3:693      7 VAL  MGX         2.80    (#    693:20  Single Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 102,  87,  88,  87,  88,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#   24 PHE  HB+          16 THR  MG2         4.50    (#    697:20  Unique         2.07, 5.11 A)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 337, 338,
 igr2= 234, 235, 236,
 &end
#
#   16 THR  HA           16 THR  MG2         2.80    (#    698:20  Unique         2.11, 3.09 A)
 &rst
  ixpk= 698, nxpk= 20, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 234, 235, 236,
 &end
#
#   16 THR  HB           16 THR  MG2         2.80    (#    699:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 699, nxpk= 20, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 234, 235, 236,
 &end
#
#    0 AMB  20-3:700     16 THR  MG2         4.50    (#    700:20  Single Ambig)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 461, 462, 461, 462,
 igr2= 234, 235, 236,
 &end
#
#    0 AMB  20-3:701     16 THR  MG2         3.50    (#    701:20  Single Ambig)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 194, 195, 194, 195,
 igr2= 234, 235, 236,
 &end
#
#   26 ALA  MB           16 THR  MG2         2.80    (#    702:20  Unique         2.19, 5.28 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 373, 374, 375,
 igr2= 234, 235, 236,
 &end
#
#    0 AMB  20-3:703     16 THR  MG2         4.50    (#    703:20  Single Ambig)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 218, 219, 220, 222, 223, 224, 800, 801, 802, 804,
       805, 806, 800, 801, 802, 804, 805, 806,
 igr2= 234, 235, 236,
 &end
#
#   25 VAL  MGY          16 THR  MG2         5.50    (#    704:20  Unique         4.49, 8.32 A)
 &rst
  ixpk= 704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 234, 235, 236,
 &end
#
#    8 GLY  HA-           7 VAL  MGX         4.50    (#    705:20  Unique         3.42, 5.63 A)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 116, 117,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#   64 ALA  MB            7 VAL  MGX         3.50    (#    707:20  Unique         2.92, 6.39 A)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 954, 955, 956,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  20-3:709      0 AMB  20-1:709    3.50    (#    709:20  Double Ambig)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 933, 214,
 igr2= 104, 105, 106, 108, 109, 110, 218, 219, 220, 222,
       223, 224,
 &end
#
#   54 VAL  HA           15 VAL  MGY         4.50    (#    710:20  Unique         2.03, 3.57 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   56 ASP  HB+          15 VAL  MGY         3.50    (#    711:20  Unique         2.95, 5.79 A)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 821, 822,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   15 VAL  HB           15 VAL  MGY         2.80    (#    712:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 712, nxpk= 20, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   25 VAL  MGY          15 VAL  MGY         4.50    (#    713:20  Unique         2.06, 5.42 A)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   48 ILE  QD1          23 ALA  MB          2.80    (#    715:20  Unique         2.05, 4.39 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 712, 713, 714,
 igr2= 327, 328, 329,
 &end
#
#   34 LEU  MDY          23 ALA  MB          5.50    (#    716:20  Unique         4.71, 8.12 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 327, 328, 329,
 &end
#
#    0 AMB  20-3:717     23 ALA  MB          5.50    (#    717:20  Single Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 253, 254,1139,1140,
 igr2= 327, 328, 329,
 &end
#
#    0 AMB  20-3:718     23 ALA  MB          3.50    (#    718:20  Single Ambig)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 253, 254, 768, 769,
 igr2= 327, 328, 329,
 &end
#
#    0 AMB  20-3:719     54 VAL  MGY         4.50    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 230, 812, 813,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   17 GLY  HA+          54 VAL  MGY         3.50    (#    720:20  Unique         1.99, 4.21 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 244, 245,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   53 SER  HB+          54 VAL  MGY         7.00    (#    721:20  Unique         4.13, 6.98 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 787, 788,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   54 VAL  HA           54 VAL  MGY         2.80    (#    722:20  Unique         2.24, 3.25 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   54 VAL  HB           54 VAL  MGY         2.80    (#    723:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 723, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#    0 AMB  20-3:736     79 THR  MG2         7.00    (#    736:20  Single Ambig)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 906, 907, 906, 907,
 igr2=1188,1189,1190,
 &end
#
#   59 GLN  HG+          79 THR  MG2         5.50    (#    737:20  Unique         2.35, 6.88 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 867, 868,
 igr2=1188,1189,1190,
 &end
#
#   60 VAL  MGY          79 THR  MG2         4.50    (#    738:20  Unique         2.62, 6.62 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 883, 884, 885, 887, 888, 889,
 igr2=1188,1189,1190,
 &end
#
#   76 ILE  HA           79 THR  MG2         4.50    (#    739:20  Unique         1.99, 2.89 A)
 &rst
  ixpk= 739, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-3:740     79 THR  MG2         2.80    (#    740:20  Single Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1186,1184,
 igr2=1188,1189,1190,
 &end
#
#   59 GLN  HG-          79 THR  MG2         5.50    (#    741:20  Unique         2.35, 6.88 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 867, 868,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-3:742     79 THR  MG2         4.50    (#    742:20  Single Ambig)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 864, 865,1133,
 igr2=1188,1189,1190,
 &end
#
#   59 GLN  HB-          79 THR  MG2         4.50    (#    743:20  Unique         3.17, 6.79 A)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 864, 865,
 igr2=1188,1189,1190,
 &end
#
#   61 LYS  HB+          79 THR  MG2         4.50    (#    744:20  Unique         3.12, 5.94 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 897, 898,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-3:745     79 THR  MG2         3.50    (#    745:20  Single Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 897, 898,1176,1177,1178,
 igr2=1188,1189,1190,
 &end
#
#   76 ILE  QD1          79 THR  MG2         3.50    (#    746:20  Unique         2.83, 5.59 A)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1142,1143,1144,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-3:747     79 THR  MG2         2.80    (#    747:20  Single Ambig)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144, 850, 851, 852, 854, 855, 856,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-3:748     54 VAL  MGY         4.50    (#    748:20  Single Ambig)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 785, 720,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   17 GLY  HA-          54 VAL  MGY         4.50    (#    749:20  Unique         1.99, 4.21 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 244, 245,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   15 VAL  HB           54 VAL  MGY         4.50    (#    750:20  Unique         3.12, 4.97 A)
 &rst
  ixpk= 750, nxpk= 20, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   18 LEU  HG           54 VAL  MGY         3.50    (#    751:20  Unique         2.00, 5.23 A)
 &rst
  ixpk= 751, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   18 LEU  HB-          54 VAL  MGY         4.50    (#    752:20  Unique         2.22, 5.57 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 253, 254,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   15 VAL  HB           15 VAL  MGX         2.80    (#    753:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 753, nxpk= 20, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   56 ASP  HB-          58 VAL  MGY         4.50    (#    755:20  Unique         2.67, 5.84 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 821, 822,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:756     58 VAL  MGY         5.50    (#    756:20  Single Ambig)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 819, 749,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   56 ASP  HB+          58 VAL  MGY         4.50    (#    757:20  Unique         2.67, 5.84 A)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 821, 822,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   58 VAL  HB           58 VAL  MGY         2.80    (#    758:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   15 VAL  HA           15 VAL  MGX         2.80    (#    760:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   56 ASP  HB+          15 VAL  MGX         4.50    (#    761:20  Unique         2.95, 5.79 A)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 821, 822,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   54 VAL  HA           15 VAL  MGX         2.80    (#    765:20  Unique         2.03, 3.57 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   59 GLN  HG-          58 VAL  MGY         7.00    (#    766:20  Unique         3.10, 6.61 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 867, 868,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   62 VAL  HA           62 VAL  MGX         3.50    (#    767:20  Unique         2.26, 3.35 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    7 VAL  HA           62 VAL  MGX         3.50    (#    768:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   62 VAL  HB           62 VAL  MGX         3.50    (#    769:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 769, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  20-3:770     35 VAL  MGX         7.00    (#    770:20  Single Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 567, 568, 567, 568,
 igr2= 503, 504, 505, 507, 508, 509,
 &end
#
#    0 AMB  20-3:771     62 VAL  MGX         4.50    (#    771:20  Single Ambig)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 964, 102,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  20-3:772      0 AMB  20-1:772    2.80    (#    772:20  Double Ambig)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1103,1104, 327, 328, 329, 104, 105, 106, 108, 109,
       110,
 igr2= 503, 504, 505, 507, 508, 509, 921, 922, 923, 925,
       926, 927,
 &end
#
#    0 AMB  20-3:774     27 LEU  MDY         5.50    (#    774:20  Single Ambig)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 458, 459, 836, 837, 429, 430, 848,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   72 ILE  HB           27 LEU  MDY         5.50    (#    775:20  Unique         3.15, 7.33 A)
 &rst
  ixpk= 775, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   25 VAL  HB           27 LEU  MDY         4.50    (#    776:20  Unique         3.23, 6.19 A)
 &rst
  ixpk= 776, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  HA           27 LEU  MDY         2.80    (#    777:20  Unique         1.99, 3.90 A)
 &rst
  ixpk= 777, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   11 TYR  HB+          27 LEU  MDY         4.50    (#    778:20  Unique         2.04, 4.76 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 152, 153,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:779     27 LEU  MDY         4.50    (#    779:20  Single Ambig)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 185, 186, 473, 474,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  HG           27 LEU  MDY         3.50    (#    780:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 780, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:781     27 LEU  MDY         4.50    (#    781:20  Single Ambig)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 921, 922, 923, 925, 926, 927, 966, 967, 968, 970,
       971, 972,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:782     27 LEU  MDY         2.80    (#    782:20  Single Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1108,1109,1110,1112,1113,1114,1075,1076,1077, 883,
       884, 885, 887, 888, 889, 921, 922, 923, 925, 926,
       927,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  HB+          27 LEU  MDY         2.80    (#    783:20  Unique         1.96, 3.27 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 383, 384,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   25 VAL  MGY          27 LEU  MDY         3.50    (#    784:20  Unique         2.64, 7.32 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   12 THR  HB           12 THR  MG2         2.80    (#    786:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 786, nxpk= 20, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 175, 176, 177,
 &end
#
#   13 GLY  HA-          12 THR  MG2         4.50    (#    787:20  Unique         3.49, 5.26 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 185, 186,
 igr2= 175, 176, 177,
 &end
#
#   57 GLU  HG+          12 THR  MG2         3.50    (#    788:20  Unique         2.00, 3.88 A)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 836, 837,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:789     12 THR  MG2         3.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 836, 837, 864, 865,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:799    110 THR  MG2         2.80    (#    799:20  Single Ambig)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1653,1655,
 igr2=1657,1658,1659,
 &end
#
#   31 THR  HA           31 THR  MG2         2.80    (#    801:20  Unique         2.34, 3.11 A)
 &rst
  ixpk= 801, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 446, 447, 448,
 &end
#
#   31 THR  HB           31 THR  MG2         3.50    (#    802:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 446, 447, 448,
 &end
#
#   72 ILE  HG1+         31 THR  MG2         4.50    (#    803:20  Unique         2.45, 4.60 A)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1079,1080,
 igr2= 446, 447, 448,
 &end
#
#   72 ILE  QD1          31 THR  MG2         2.80    (#    804:20  Unique         2.01, 3.91 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1082,1083,1084,
 igr2= 446, 447, 448,
 &end
#
#   27 LEU  HB-          31 THR  MG2         3.50    (#    805:20  Unique         3.62, 5.96 A)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 383, 384,
 igr2= 446, 447, 448,
 &end
#
#   27 LEU  MDX          31 THR  MG2         2.80    (#    806:20  Unique         2.13, 5.86 A)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 446, 447, 448,
 &end
#
#    9 SER  HA            0 AMB  20-1:807    4.50    (#    807:20  Single Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  20-3:808      0 AMB  20-1:808    4.50    (#    808:20  Double Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 906, 907, 906, 907, 906, 907,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  20-3:809      0 AMB  20-1:809    3.50    (#    809:20  Double Ambig)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 897, 898, 897, 898,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   61 LYS  HB-           0 AMB  20-1:810    2.80    (#    810:20  Single Ambig)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 897, 898,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   61 LYS  HG-           0 AMB  20-1:811    3.50    (#    811:20  Single Ambig)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 900, 901,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   25 VAL  HA           25 VAL  MGX         3.50    (#    812:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 812, nxpk= 20, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   15 VAL  HA           25 VAL  MGX         3.50    (#    813:20  Unique         1.99, 3.81 A)
 &rst
  ixpk= 813, nxpk= 20, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:814     25 VAL  MGX         4.50    (#    814:20  Single Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 848, 501,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:815     25 VAL  MGX         4.50    (#    815:20  Single Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1139,1140,1139,1140, 200, 201, 200, 201,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  HB           25 VAL  MGX         2.80    (#    816:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   15 VAL  MGY          25 VAL  MGX         2.80    (#    817:20  Unique         2.06, 5.42 A)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 218, 219, 220, 222, 223, 224,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   35 VAL  MGY          25 VAL  MGX         3.50    (#    818:20  Unique         2.04, 6.74 A)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 503, 504, 505, 507, 508, 509,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:819     25 VAL  MGX         2.80    (#    819:20  Single Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 503, 504, 505, 507, 508, 509, 883, 884, 885, 887,
       888, 889,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   22 GLY  HA+          34 LEU  MDY         3.50    (#    822:20  Unique         2.08, 5.49 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 318, 319,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   22 GLY  HA-          34 LEU  MDY         4.50    (#    823:20  Unique         2.08, 5.49 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 318, 319,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:824     34 LEU  MDY         4.50    (#    824:20  Single Ambig)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1060,1061,1060,1061,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:825     34 LEU  MDY         4.50    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 501, 275, 276,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HB+          34 LEU  MDY         4.50    (#    826:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 482, 483,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HB-          34 LEU  MDY         4.50    (#    827:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 482, 483,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HG           34 LEU  MDY         3.50    (#    828:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 828, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:830     34 LEU  MDY         4.50    (#    830:20  Single Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 515, 499,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   64 ALA  HA           64 ALA  MB          2.80    (#    833:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 833, nxpk= 20, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 954, 955, 956,
 &end
#
#    0 AMB  20-3:834     64 ALA  MB          2.80    (#    834:20  Single Ambig)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1092,1093,1092,1093,
 igr2= 954, 955, 956,
 &end
#
#    0 AMB  20-3:835     64 ALA  MB          5.50    (#    835:20  Single Ambig)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 964,
 igr2= 954, 955, 956,
 &end
#
#    0 AMB  20-3:836     64 ALA  MB          3.50    (#    836:20  Single Ambig)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 935, 936, 935, 936,
 igr2= 954, 955, 956,
 &end
#
#    7 VAL  MGX          64 ALA  MB          4.50    (#    837:20  Unique         2.92, 6.39 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 104, 105, 106, 108, 109, 110,
 igr2= 954, 955, 956,
 &end
#
#    0 AMB  20-3:838     64 ALA  MB          3.50    (#    838:20  Single Ambig)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 104, 105, 106, 108, 109, 110, 966, 967, 968, 970,
       971, 972, 966, 967, 968, 970, 971, 972,
 igr2= 954, 955, 956,
 &end
#
#   63 LEU  MDX          64 ALA  MB          4.50    (#    839:20  Unique         2.02, 6.07 A)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2= 954, 955, 956,
 &end
#
#  104 THR  HA          104 THR  MG2         4.50    (#    841:20  Unique         2.06, 3.42 A)
 &rst
  ixpk= 841, nxpk= 20, iat=1567,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1571,1572,1573,
 &end
#
#   27 LEU  MDY          31 THR  MG2         4.50    (#    845:20  Unique         2.13, 5.86 A)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 446, 447, 448,
 &end
#
#   62 VAL  HA           62 VAL  MGY         3.50    (#    846:20  Unique         2.26, 3.35 A)
 &rst
  ixpk= 846, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   62 VAL  HB           62 VAL  MGY         2.80    (#    847:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 847, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    5 PHE  HB-          62 VAL  MGY         3.50    (#    848:20  Unique         3.15, 7.35 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  67,  68,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    5 PHE  HB+          62 VAL  MGY         3.50    (#    849:20  Unique         3.15, 7.35 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  67,  68,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  20-3:850     62 VAL  MGY         4.50    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1103,1104, 897, 898,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   27 LEU  MDY          62 VAL  MGY         4.50    (#    852:20  Unique         3.34, 8.57 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   27 LEU  MDX          62 VAL  MGY         4.50    (#    853:20  Unique         3.34, 8.57 A)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    9 SER  HB-           0 AMB  20-1:855    4.50    (#    855:20  Single Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 125, 126,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  20-3:856      0 AMB  20-1:856    4.50    (#    856:20  Double Ambig)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 152, 153, 152, 153,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  20-3:857      0 AMB  20-1:857    3.50    (#    857:20  Double Ambig)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1186,1184,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   10 VAL  HB            0 AMB  20-1:858    2.80    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  20-3:859      0 AMB  20-1:859    2.80    (#    859:20  Double Ambig)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 900, 901, 900, 901,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   64 ALA  MB            7 VAL  MGY         3.50    (#    862:20  Unique         2.92, 6.39 A)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 954, 955, 956,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#    7 VAL  HA            0 AMB  20-1:863    2.80    (#    863:20  Single Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 921, 922, 923, 925, 926, 927, 104, 105, 106, 108,
       109, 110,
 &end
#
#    0 AMB  20-3:864      7 VAL  MGY         3.50    (#    864:20  Single Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 933, 952,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#    8 GLY  HA-           7 VAL  MGY         4.50    (#    865:20  Unique         3.42, 5.63 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 116, 117,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  20-3:866      7 VAL  MGY         2.80    (#    866:20  Single Ambig)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 102,  87,  88,  87,  88,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#   72 ILE  HA            7 VAL  MGY         7.00    (#    867:20  Unique         6.38, 9.42 A)
 &rst
  ixpk= 867, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#   55 GLY  HA-          54 VAL  MGX         4.50    (#    869:20  Unique         3.25, 5.30 A)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 812, 813,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   54 VAL  HA           54 VAL  MGX         3.50    (#    870:20  Unique         2.24, 3.25 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   54 VAL  HB           54 VAL  MGX         2.80    (#    871:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 871, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   59 GLN  HG-           0 AMB  20-1:873    4.50    (#    873:20  Single Ambig)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 867, 868,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   25 VAL  MGY          63 LEU  MDX         7.00    (#    876:20  Unique         9.45,13.84 A)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   63 LEU  HA           63 LEU  MDX         2.80    (#    877:20  Unique         2.83, 4.59 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   62 VAL  HA           63 LEU  MDX         5.50    (#    878:20  Unique         2.78, 5.42 A)
 &rst
  ixpk= 878, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:879     63 LEU  MDX         4.50    (#    879:20  Single Ambig)
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1122,1123,1092,1093,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    8 GLY  HA-          63 LEU  MDX         5.50    (#    880:20  Unique         4.53, 9.27 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 116, 117,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   75 SER  HB-          63 LEU  MDX         4.50    (#    881:20  Unique         2.01, 4.08 A)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:882     63 LEU  MDX         4.50    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 906, 907, 906, 907,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:883     63 LEU  MDX         2.80    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 954, 955, 956, 938,1176,1177,1178,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:884     63 LEU  MDX         4.50    (#    884:20  Single Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 900, 901,1103,1104,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:885     40 VAL  MGY         4.50    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1135,1136,1137, 327, 328, 329,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:886     40 VAL  MGY         4.50    (#    886:20  Single Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 318, 319, 593,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   41 THR  HB           40 VAL  MGY         3.50    (#    887:20  Unique         2.99, 5.62 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   37 ILE  HA           40 VAL  MGY         4.50    (#    888:20  Unique         2.00, 4.17 A)
 &rst
  ixpk= 888, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   40 VAL  HA           40 VAL  MGY         3.50    (#    889:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   51 HIS  HB+          40 VAL  MGY         4.50    (#    891:20  Unique         2.66, 5.55 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 751, 752,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   40 VAL  HB           40 VAL  MGY         2.80    (#    892:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 892, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:893     40 VAL  MGY         4.50    (#    893:20  Single Ambig)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1139,1140,1139,1140,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   52 LEU  MDY          40 VAL  MGY         3.50    (#    894:20  Unique         2.00, 5.79 A)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 773, 774, 775, 777, 778, 779,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   52 LEU  HB-          40 VAL  MGY         5.50    (#    895:20  Unique         3.29, 6.85 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 768, 769,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:897     40 VAL  MGY         3.50    (#    897:20  Single Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 258, 259, 260, 262, 263, 264, 543, 544, 545,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   40 VAL  HB           45 VAL  MGY         4.50    (#    899:20  Unique         2.45, 5.27 A)
 &rst
  ixpk= 899, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   44 PHE  HA           45 VAL  MGX         4.50    (#    901:20  Unique         3.80, 5.72 A)
 &rst
  ixpk= 901, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   45 VAL  HA           45 VAL  MGX         2.80    (#    902:20  Unique         2.24, 3.40 A)
 &rst
  ixpk= 902, nxpk= 20, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   40 VAL  HB           45 VAL  MGX         3.50    (#    903:20  Unique         2.45, 5.27 A)
 &rst
  ixpk= 903, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   45 VAL  HB           45 VAL  MGX         2.80    (#    904:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 904, nxpk= 20, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:905     45 VAL  MGX         4.50    (#    905:20  Single Ambig)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 540, 541, 540, 541,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   40 VAL  MGX          45 VAL  MGX         4.50    (#    906:20  Unique         2.54, 6.57 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 581, 582, 583, 585, 586, 587,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:913      0 AMB  20-1:913    3.50    (#    913:20  Double Ambig)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1079,1080,1079,1080, 253, 254,
 igr2= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972, 800, 801, 802, 804, 805, 806,
 &end
#
#    0 AMB  20-3:914      0 AMB  20-1:914    4.50    (#    914:20  Double Ambig)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 256, 954, 955, 956,
 igr2= 800, 801, 802, 804, 805, 806, 104, 105, 106, 108,
       109, 110,
 &end
#
#    0 AMB  20-3:915      0 AMB  20-1:915    2.80    (#    915:20  Double Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 104, 105, 106, 108, 109, 110, 218, 219, 220, 222,
       223, 224,
 igr2= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972, 800, 801, 802, 804, 805, 806,
 &end
#
#   65 VAL  HA            0 AMB  20-1:916    2.80    (#    916:20  Single Ambig)
 &rst
  ixpk= 916, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#    0 AMB  20-3:917     45 VAL  MGY         5.50    (#    917:20  Single Ambig)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 667, 553, 554, 553, 554,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:918     45 VAL  MGY         4.50    (#    918:20  Single Ambig)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 709, 710, 709, 710,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   45 VAL  HA           45 VAL  MGY         2.80    (#    919:20  Unique         2.24, 3.40 A)
 &rst
  ixpk= 919, nxpk= 20, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   37 ILE  HA           45 VAL  MGY         4.50    (#    920:20  Unique         3.66, 6.49 A)
 &rst
  ixpk= 920, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:921     45 VAL  MGY         7.00    (#    921:20  Single Ambig)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 751, 752, 691, 692,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:922     45 VAL  MGY         2.80    (#    922:20  Single Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 653, 703,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:923     45 VAL  MGY         3.50    (#    923:20  Single Ambig)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 540, 541, 540, 541,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:924     45 VAL  MGY         5.50    (#    924:20  Single Ambig)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1135,1136,1137,1152,1153, 327, 328, 329,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   37 ILE  QD1          45 VAL  MGY         3.50    (#    925:20  Unique         2.10, 5.62 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 543, 544, 545,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   25 VAL  HA           25 VAL  MGY         3.50    (#    927:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 927, nxpk= 20, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   15 VAL  HA           25 VAL  MGY         4.50    (#    928:20  Unique         1.99, 3.81 A)
 &rst
  ixpk= 928, nxpk= 20, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:929      0 AMB  20-1:929    5.50    (#    929:20  Double Ambig)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 381, 667, 553, 554,
 igr2= 359, 360, 361, 363, 364, 365, 655, 656, 657, 659,
       660, 661,
 &end
#
#   13 GLY  HA-          25 VAL  MGY         3.50    (#    930:20  Unique         2.03, 5.28 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 185, 186,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:931      0 AMB  20-1:931    2.80    (#    931:20  Double Ambig)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 357, 672, 673,
 igr2= 359, 360, 361, 363, 364, 365, 655, 656, 657, 659,
       660, 661,
 &end
#
#   15 VAL  MGY          25 VAL  MGY         3.50    (#    932:20  Unique         2.06, 5.42 A)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 218, 219, 220, 222, 223, 224,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   27 LEU  MDY          25 VAL  MGY         3.50    (#    933:20  Unique         2.64, 7.32 A)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:935      0 AMB  20-1:935    5.50    (#    935:20  Double Ambig)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1042,1043,1042,1043,1042,1043,
 igr2= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#   67 GLU  HG-           0 AMB  20-1:936    4.50    (#    936:20  Single Ambig)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 995, 996,
 igr2= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#   17 GLY  HA-          54 VAL  MGX         4.50    (#    938:20  Unique         1.99, 4.21 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 244, 245,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   77 ARG  HG+          78 ALA  MB          3.50    (#    946:20  Unique         2.99, 4.55 A)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1155,1156,
 igr2=1176,1177,1178,
 &end
#
#   78 ALA  HA           78 ALA  MB          5.50    (#    953:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 953, nxpk= 20, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1176,1177,1178,
 &end
#
#   75 SER  HB+          78 ALA  MB          4.50    (#    954:20  Unique         2.08, 4.00 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,
 igr2=1176,1177,1178,
 &end
#
#   75 SER  HB-          78 ALA  MB          3.50    (#    955:20  Unique         2.08, 4.00 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,
 igr2=1176,1177,1178,
 &end
#
#    0 AMB  20-3:956     78 ALA  MB          4.50    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 906, 907, 906, 907,
 igr2=1176,1177,1178,
 &end
#
#   61 LYS  HG-          78 ALA  MB          3.50    (#    957:20  Unique         2.70, 5.12 A)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 900, 901,
 igr2=1176,1177,1178,
 &end
#
#   63 LEU  MDX          78 ALA  MB          4.50    (#    958:20  Unique         2.63, 6.18 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2=1176,1177,1178,
 &end
#
#    2 ALA  HA            2 ALA  MB          4.50    (#    968:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#    5 PHE  HA            3 ALA  MB          5.50    (#    970:20  Unique         4.15, 6.57 A)
 &rst
  ixpk= 970, nxpk= 20, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  35,  36,  37,
 &end
#
#    3 ALA  HA            3 ALA  MB          2.80    (#    971:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 971, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  35,  36,  37,
 &end
#
#    0 AMB  20-3:972      3 ALA  MB          5.50    (#    972:20  Single Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 igr2=  35,  36,  37,
 &end
#
#   26 ALA  HA           26 ALA  MB          2.80    (#    980:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 980, nxpk= 20, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 373, 374, 375,
 &end
#
#    0 AMB  20-3:987     26 ALA  MB          5.50    (#    987:20  Single Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 230, 812, 813,
 igr2= 373, 374, 375,
 &end
#
#    0 AMB  20-3:988      0 AMB  20-1:988    2.80    (#    988:20  Double Ambig)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1462, 232,
 igr2=1464,1465,1466, 373, 374, 375,
 &end
#
#   11 TYR  HB+          60 VAL  MGX         4.50    (#    989:20  Unique         2.80, 6.11 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 152, 153,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   11 TYR  HB-          60 VAL  MGX         4.50    (#    990:20  Unique         2.80, 6.11 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 152, 153,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:991     60 VAL  MGX         2.80    (#    991:20  Single Ambig)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1139,1140,1139,1140, 881,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   25 VAL  MGY          60 VAL  MGX         3.50    (#    992:20  Unique         2.20, 5.36 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   27 LEU  MDY          60 VAL  MGX         3.50    (#    993:20  Unique         3.32, 7.64 A)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   12 THR  HB           60 VAL  MGX         5.50    (#    996:20  Unique         5.87, 8.84 A)
 &rst
  ixpk= 996, nxpk= 20, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   76 ILE  HA           60 VAL  MGX         7.00    (#    997:20  Unique         2.91, 6.00 A)
 &rst
  ixpk= 997, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   13 GLY  HA-          60 VAL  MGX         5.50    (#    998:20  Unique         2.78, 7.15 A)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 185, 186,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:999     60 VAL  MGX         5.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 357, 773, 774, 775, 777, 778, 779,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   74 LEU  HB-          60 VAL  MGX         3.50    (#   1000:20  Unique         2.00, 4.74 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1103,1104,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   27 LEU  MDX          60 VAL  MGX         4.50    (#   1001:20  Unique         3.32, 7.64 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   52 LEU  MDY          58 VAL  MGX         4.50    (#   1002:20  Unique         2.05, 5.41 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 773, 774, 775, 777, 778, 779,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:1003    58 VAL  MGX         5.50    (#   1003:20  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 185, 186, 796,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   58 VAL  HB           58 VAL  MGX         2.80    (#   1004:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1004, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:1005    58 VAL  MGX         4.50    (#   1005:20  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1188,1189,1190, 175, 176, 177,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   15 VAL  MGY          58 VAL  MGX         2.80    (#   1006:20  Unique         2.00, 5.35 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 218, 219, 220, 222, 223, 224,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   52 LEU  MDX          58 VAL  MGX         2.80    (#   1007:20  Unique         2.05, 5.41 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 773, 774, 775, 777, 778, 779,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:1010    58 VAL  MGX         3.50    (#   1010:20  Single Ambig)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1139,1140,1139,1140, 194, 195, 194, 195,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   21 TYR  HB-          20 ALA  MB          4.50    (#   1012:20  Unique         4.09, 6.07 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 299, 300,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  20-3:1013    20 ALA  MB          4.50    (#   1013:20  Single Ambig)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 272, 273, 669, 670,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  20-3:1014    20 ALA  MB          4.50    (#   1014:20  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 297, 270,
 igr2= 289, 290, 291,
 &end
#
#   20 ALA  HA           20 ALA  MB          2.80    (#   1015:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 289, 290, 291,
 &end
#
#   48 ILE  QG2          20 ALA  MB          4.50    (#   1016:20  Unique         3.21, 6.02 A)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 705, 706, 707,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  20-3:1017    41 THR  MG2         4.50    (#   1017:20  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 631, 607,
 igr2= 597, 598, 599,
 &end
#
#    0 AMB  20-3:1018    41 THR  MG2         4.50    (#   1018:20  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 593, 551,
 igr2= 597, 598, 599,
 &end
#
#   41 THR  HB           41 THR  MG2         2.80    (#   1019:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1019, nxpk= 20, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 597, 598, 599,
 &end
#
#    0 AMB  20-3:1020    41 THR  MG2         4.50    (#   1020:20  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 609, 610, 751, 752, 633, 634,
 igr2= 597, 598, 599,
 &end
#
#   25 VAL  MGY          58 VAL  MGX         2.80    (#   1021:20  Unique         2.00, 5.83 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 359, 360, 361, 363, 364, 365,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   82 ALA  HA           82 ALA  MB          2.80    (#   1027:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1227,1228,1229,
 &end
#
#   72 ILE  HA           72 ILE  QG2         3.50    (#   1029:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1075,1076,1077,
 &end
#
#   65 VAL  HA           72 ILE  QG2         4.50    (#   1030:20  Unique         3.20, 4.76 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1075,1076,1077,
 &end
#
#   62 VAL  HA           72 ILE  QG2         4.50    (#   1031:20  Unique         3.93, 5.00 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1075,1076,1077,
 &end
#
#   33 GLY  HA-          72 ILE  QG2         4.50    (#   1032:20  Unique         2.35, 4.49 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 473, 474,
 igr2=1075,1076,1077,
 &end
#
#   72 ILE  HB           72 ILE  QG2         2.80    (#   1033:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1075,1076,1077,
 &end
#
#   74 LEU  HG           72 ILE  QG2         4.50    (#   1034:20  Unique         2.45, 3.84 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1075,1076,1077,
 &end
#
#   72 ILE  HG1-         72 ILE  QG2         2.80    (#   1035:20  Unique         2.33, 3.50 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1079,1080,
 igr2=1075,1076,1077,
 &end
#
#    0 AMB  20-3:1036    72 ILE  QG2         3.50    (#   1036:20  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 921, 922, 923, 925, 926, 927, 966, 967, 968, 970,
       971, 972,
 igr2=1075,1076,1077,
 &end
#
#   27 LEU  MDY          72 ILE  QG2         5.50    (#   1037:20  Unique         3.11, 7.03 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=1075,1076,1077,
 &end
#
#   27 LEU  MDX          72 ILE  QG2         4.50    (#   1038:20  Unique         3.11, 7.03 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=1075,1076,1077,
 &end
#
#  128 ILE  HA          128 ILE  QG2         4.50    (#   1039:20  Unique         2.31, 3.57 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=1968,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1972,1973,1974,
 &end
#
#  128 ILE  HG1+        128 ILE  QG2         5.50    (#   1040:20  Unique         2.02, 3.35 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1976,1977,
 igr2=1972,1973,1974,
 &end
#
#  128 ILE  HB          128 ILE  QG2         4.50    (#   1047:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1972,1973,1974,
 &end
#
#  128 ILE  HG1-        128 ILE  QG2         7.00    (#   1048:20  Unique         2.02, 3.35 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1976,1977,
 igr2=1972,1973,1974,
 &end
#
#  119 ILE  HG1+        119 ILE  QG2         4.50    (#   1050:20  Unique         2.05, 3.36 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1823,1824,
 igr2=1819,1820,1821,
 &end
#
#  119 ILE  HA          119 ILE  QG2         4.50    (#   1053:20  Unique         2.28, 3.46 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=1815,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1819,1820,1821,
 &end
#
#  119 ILE  HB          119 ILE  QG2         3.50    (#   1054:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1819,1820,1821,
 &end
#
#   76 ILE  HA           76 ILE  QG2         3.50    (#   1056:20  Unique         2.23, 3.07 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1135,1136,1137,
 &end
#
#   77 ARG  HA           76 ILE  QG2         4.50    (#   1058:20  Unique         3.76, 4.87 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1135,1136,1137,
 &end
#
#   40 VAL  HA           76 ILE  QG2         4.50    (#   1059:20  Unique         3.71, 4.68 A)
 &rst
  ixpk= 1059, nxpk= 20, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1135,1136,1137,
 &end
#
#    0 AMB  20-3:1060    76 ILE  QG2         4.50    (#   1060:20  Single Ambig)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1139,1140,1139,1140,
 igr2=1135,1136,1137,
 &end
#
#    0 AMB  20-3:1061    76 ILE  QG2         2.80    (#   1061:20  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 773, 774, 775, 777, 778, 779,1142,1143,1144,
 igr2=1135,1136,1137,
 &end
#
#    0 AMB  20-3:1062    76 ILE  QG2         4.50    (#   1062:20  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1203,1204,1203,1204,
 igr2=1135,1136,1137,
 &end
#
#   76 ILE  HB           76 ILE  QG2         2.80    (#   1063:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1135,1136,1137,
 &end
#
#    0 AMB  20-3:1064    76 ILE  QG2         3.50    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 771, 581, 582, 583, 585, 586, 587, 883, 884, 885,
       887, 888, 889,
 igr2=1135,1136,1137,
 &end
#
#   52 LEU  MDX          52 LEU  HB+         4.50    (#   1067:20  Unique         2.09, 3.26 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 773, 774, 775, 777, 778, 779,
 igr2= 768, 769,
 &end
#
#    0 AMB  20-3:1068     0 AMB  20-1:1068   3.50    (#   1068:20  Double Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 igr2= 768, 769, 768, 769,
 &end
#
#    0 AMB  20-3:1069     0 AMB  20-1:1069   3.50    (#   1069:20  Double Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 771, 581, 582, 583, 585, 586, 587,
 igr2= 768, 769, 768, 769,
 &end
#
#    0 AMB  20-3:1070    52 LEU  HB-         4.50    (#   1070:20  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 igr2= 768, 769,
 &end
#
#    0 AMB  20-3:1071    52 LEU  HB-         4.50    (#   1071:20  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 771, 581, 582, 583, 585, 586, 587,
 igr2= 768, 769,
 &end
#
#   52 LEU  MDX          52 LEU  HB-         3.50    (#   1073:20  Unique         2.09, 3.26 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 773, 774, 775, 777, 778, 779,
 igr2= 768, 769,
 &end
#
#    0 AMB  20-3:1074    48 ILE  QG2         5.50    (#   1074:20  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 722, 723, 691, 692,
 igr2= 705, 706, 707,
 &end
#
#    0 AMB  20-3:1075    48 ILE  QG2         4.50    (#   1075:20  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 720, 689,
 igr2= 705, 706, 707,
 &end
#
#   20 ALA  HA           48 ILE  QG2         4.50    (#   1076:20  Unique         2.08, 3.80 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 705, 706, 707,
 &end
#
#   37 ILE  HA           48 ILE  QG2         7.00    (#   1077:20  Unique         4.65, 6.96 A)
 &rst
  ixpk= 1077, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 705, 706, 707,
 &end
#
#    0 AMB  20-3:1078    48 ILE  QG2         2.80    (#   1078:20  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 253, 254, 703,
 igr2= 705, 706, 707,
 &end
#
#    0 AMB  20-3:1079    48 ILE  QG2         4.50    (#   1079:20  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 256, 289, 290, 291,
 igr2= 705, 706, 707,
 &end
#
#    0 AMB  20-3:1080    48 ILE  QG2         2.80    (#   1080:20  Single Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 712, 713, 714, 258, 259, 260, 262, 263, 264,
 igr2= 705, 706, 707,
 &end
#
#   23 ALA  MB           48 ILE  QG2         5.50    (#   1082:20  Unique         4.02, 6.64 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 327, 328, 329,
 igr2= 705, 706, 707,
 &end
#
#   74 LEU  MDY          74 LEU  HB+         3.50    (#   1084:20  Unique         2.14, 3.26 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1108,1109,1110,1112,1113,1114,
 igr2=1103,1104,
 &end
#
#    0 AMB  20-3:1085     0 AMB  20-1:1085   3.50    (#   1085:20  Double Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 883, 884, 885, 887, 888, 889, 503, 504, 505, 507,
       508, 509,1108,1109,1110,1112,1113,1114,
 igr2=1103,1104,1103,1104,1103,1104,
 &end
#
#   74 LEU  HG           74 LEU  HB+         4.50    (#   1086:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 1086, nxpk= 20, iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1103,1104,
 &end
#
#   74 LEU  HG           74 LEU  HB-         5.50    (#   1087:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1103,1104,
 &end
#
#   60 VAL  HB           74 LEU  HB-         5.50    (#   1088:20  Unique         2.21, 3.33 A)
 &rst
  ixpk= 1088, nxpk= 20, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1103,1104,
 &end
#
#    0 AMB  20-3:1090    74 LEU  HB-         3.50    (#   1090:20  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 883, 884, 885, 887, 888, 889, 503, 504, 505, 507,
       508, 509,1108,1109,1110,1112,1113,1114,
 igr2=1103,1104,
 &end
#
#   74 LEU  MDY          74 LEU  HB-         4.50    (#   1091:20  Unique         2.14, 3.26 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1108,1109,1110,1112,1113,1114,
 igr2=1103,1104,
 &end
#
#    0 AMB  20-3:1093    37 ILE  QG2         4.50    (#   1093:20  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 551, 318, 319,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:1094    37 ILE  QG2         4.50    (#   1094:20  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 553, 554, 553, 554,
 igr2= 536, 537, 538,
 &end
#
#   37 ILE  HA           37 ILE  QG2         4.50    (#   1095:20  Unique         3.52, 3.89 A)
 &rst
  ixpk= 1095, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:1096    37 ILE  QG2         4.50    (#   1096:20  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 517, 518, 299, 300,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:1097    37 ILE  QG2         4.50    (#   1097:20  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 299, 300, 633, 634, 564, 565,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:1098    37 ILE  QG2         4.50    (#   1098:20  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 653, 703, 675, 676, 675, 676,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:1099    37 ILE  QG2         2.80    (#   1099:20  Single Ambig)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 540, 541, 540, 541, 534,
 igr2= 536, 537, 538,
 &end
#
#   76 ILE  HA           76 ILE  QD1         4.50    (#   1100:20  Unique         2.03, 3.53 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1142,1143,1144,
 &end
#
#   40 VAL  HA           76 ILE  QD1         5.50    (#   1101:20  Unique         2.17, 4.77 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1142,1143,1144,
 &end
#
#    0 AMB  20-3:1102    76 ILE  QD1         3.50    (#   1102:20  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1133, 501,
 igr2=1142,1143,1144,
 &end
#
#    0 AMB  20-3:1103    76 ILE  QD1         3.50    (#   1103:20  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1139,1140,1139,1140, 881,
 igr2=1142,1143,1144,
 &end
#
#   79 THR  MG2          76 ILE  QD1         3.50    (#   1104:20  Unique         2.83, 5.59 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1188,1189,1190,
 igr2=1142,1143,1144,
 &end
#
#    0 AMB  20-3:1105    76 ILE  QD1         2.80    (#   1105:20  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 503, 504, 505, 507, 508, 509, 883, 884, 885, 887,
       888, 889,
 igr2=1142,1143,1144,
 &end
#
#    0 AMB  20-3:1106    76 ILE  QD1         2.80    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 883, 884, 885, 887, 888, 889, 581, 582, 583, 585,
       586, 587,
 igr2=1142,1143,1144,
 &end
#
#    0 AMB  20-3:1107    76 ILE  QD1         5.50    (#   1107:20  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 768, 769,1155,1156,
 igr2=1142,1143,1144,
 &end
#
#   47 ASP  HA           37 ILE  QD1         5.50    (#   1109:20  Unique         4.48, 6.90 A)
 &rst
  ixpk= 1109, nxpk= 20, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 543, 544, 545,
 &end
#
#   21 TYR  HA           37 ILE  QD1         5.50    (#   1110:20  Unique         2.71, 4.47 A)
 &rst
  ixpk= 1110, nxpk= 20, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 543, 544, 545,
 &end
#
#   37 ILE  HA           37 ILE  QD1         4.50    (#   1111:20  Unique         3.15, 4.32 A)
 &rst
  ixpk= 1111, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 543, 544, 545,
 &end
#
#   22 GLY  HA-          37 ILE  QD1         4.50    (#   1112:20  Unique         4.44, 6.40 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 318, 319,
 igr2= 543, 544, 545,
 &end
#
#    0 AMB  20-3:1113    37 ILE  QD1         4.50    (#   1113:20  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 703, 653,
 igr2= 543, 544, 545,
 &end
#
#    0 AMB  20-3:1114    37 ILE  QD1         5.50    (#   1114:20  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 709, 710, 709, 710, 289, 290, 291,
 igr2= 543, 544, 545,
 &end
#
#    0 AMB  20-3:1115    37 ILE  QD1         2.80    (#   1115:20  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 540, 541, 540, 541,
 igr2= 543, 544, 545,
 &end
#
#   45 VAL  MGY          37 ILE  QD1         2.80    (#   1116:20  Unique         2.10, 5.62 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 655, 656, 657, 659, 660, 661,
 igr2= 543, 544, 545,
 &end
#
#   45 VAL  MGX          37 ILE  QD1         4.50    (#   1117:20  Unique         2.10, 5.62 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 655, 656, 657, 659, 660, 661,
 igr2= 543, 544, 545,
 &end
#
#   22 GLY  HA-          48 ILE  QD1         4.50    (#   1119:20  Unique         2.22, 4.20 A)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 318, 319,
 igr2= 712, 713, 714,
 &end
#
#   23 ALA  MB           48 ILE  QD1         3.50    (#   1120:20  Unique         2.05, 4.39 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 327, 328, 329,
 igr2= 712, 713, 714,
 &end
#
#   22 GLY  HA+          48 ILE  QD1         4.50    (#   1121:20  Unique         2.22, 4.20 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 318, 319,
 igr2= 712, 713, 714,
 &end
#
#   37 ILE  HA           48 ILE  QD1         5.50    (#   1122:20  Unique         2.12, 4.34 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 712, 713, 714,
 &end
#
#   48 ILE  HB           48 ILE  QD1         3.50    (#   1123:20  Unique         2.20, 3.12 A)
 &rst
  ixpk= 1123, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 712, 713, 714,
 &end
#
#    0 AMB  20-3:1124    48 ILE  QD1         2.80    (#   1124:20  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 256, 709, 710, 709, 710,
 igr2= 712, 713, 714,
 &end
#
#    0 AMB  20-3:1125    48 ILE  QD1         2.80    (#   1125:20  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 705, 706, 707, 581, 582, 583, 585, 586, 587,
 igr2= 712, 713, 714,
 &end
#
#   72 ILE  HA           72 ILE  QD1         4.50    (#   1128:20  Unique         2.03, 4.23 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1082,1083,1084,
 &end
#
#   65 VAL  HB           72 ILE  QD1         5.50    (#   1129:20  Unique         2.58, 5.20 A)
 &rst
  ixpk= 1129, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1082,1083,1084,
 &end
#
#   72 ILE  HB           72 ILE  QD1         2.80    (#   1130:20  Unique         2.42, 3.34 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1082,1083,1084,
 &end
#
#    0 AMB  20-3:1131    72 ILE  QD1         5.50    (#   1131:20  Single Ambig)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 962, 442,
 igr2=1082,1083,1084,
 &end
#
#   33 GLY  HA-          72 ILE  QD1         5.50    (#   1132:20  Unique         2.82, 4.94 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 473, 474,
 igr2=1082,1083,1084,
 &end
#
#    5 PHE  HB-          72 ILE  QD1         5.50    (#   1133:20  Unique         4.00, 9.25 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  67,  68,
 igr2=1082,1083,1084,
 &end
#
#    0 AMB  20-3:1134    72 ILE  QD1         5.50    (#   1134:20  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  67,  68, 995, 996,
 igr2=1082,1083,1084,
 &end
#
#    0 AMB  20-3:1135    72 ILE  QD1         2.80    (#   1135:20  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 446, 447, 448,1079,1080,
 igr2=1082,1083,1084,
 &end
#
#    0 AMB  20-3:1136    72 ILE  QD1         2.80    (#   1136:20  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 igr2=1082,1083,1084,
 &end
#
#   27 LEU  MDX          72 ILE  QD1         3.50    (#   1137:20  Unique         2.00, 6.59 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=1082,1083,1084,
 &end
#
#   34 LEU  MDX          34 LEU  HB+         3.50    (#   1139:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 482, 483,
 &end
#
#   34 LEU  MDY          34 LEU  HB+         4.50    (#   1140:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 482, 483,
 &end
#
#   34 LEU  HG           34 LEU  HB+         3.50    (#   1141:20  Unique         2.44, 2.74 A)
 &rst
  ixpk= 1141, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 482, 483,
 &end
#
#   34 LEU  MDX          34 LEU  HB-         3.50    (#   1142:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 482, 483,
 &end
#
#   34 LEU  MDY          34 LEU  HB-         4.50    (#   1143:20  Unique         2.20, 3.28 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 482, 483,
 &end
#
#   34 LEU  HG           34 LEU  HB-         3.50    (#   1145:20  Unique         2.44, 2.74 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 482, 483,
 &end
#
#  119 ILE  HA          119 ILE  QD1         4.50    (#   1149:20  Unique         2.07, 4.18 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=1815,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1826,1827,1828,
 &end
#
#  119 ILE  HB          119 ILE  QD1         4.50    (#   1150:20  Unique         2.14, 3.15 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1826,1827,1828,
 &end
#
#  119 ILE  HG1+        119 ILE  QD1         3.50    (#   1152:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1823,1824,
 igr2=1826,1827,1828,
 &end
#
#  119 ILE  HG1-        119 ILE  QD1         2.80    (#   1153:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1823,1824,
 igr2=1826,1827,1828,
 &end
#
#  128 ILE  HG1-        128 ILE  QD1         4.50    (#   1157:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1976,1977,
 igr2=1979,1980,1981,
 &end
#
#    0 AMB  20-3:1159     0 AMB  20-1:1159   3.50    (#   1159:20  Double Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 709, 710, 709, 710, 256,
 igr2= 253, 254, 253, 254, 253, 254,
 &end
#
#    0 AMB  20-3:1161     0 AMB  20-1:1161   3.50    (#   1161:20  Double Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 igr2= 253, 254, 253, 254,
 &end
#
#    0 AMB  20-3:1162    18 LEU  HB-         4.50    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 705, 706, 707, 800, 801, 802, 804, 805, 806, 800,
       801, 802, 804, 805, 806,
 igr2= 253, 254,
 &end
#
#    0 AMB  20-3:1164    18 LEU  HB-         3.50    (#   1164:20  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 igr2= 253, 254,
 &end
#
#    0 AMB  20-3:1167     0 AMB  20-1:1167   4.50    (#   1167:20  Double Ambig)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 607, 562,
 igr2=1158,1159,1158,1159,
 &end
#
#   77 ARG  HB+          77 ARG  HD+         4.50    (#   1168:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153,
 igr2=1158,1159,
 &end
#
#    0 AMB  20-3:1169     0 AMB  20-1:1169   4.50    (#   1169:20  Double Ambig)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1152,1153,1155,1156,
 igr2=1158,1159,1158,1159,
 &end
#
#   77 ARG  HG+          77 ARG  HD+         4.50    (#   1170:20  Unique         2.23, 2.68 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1155,1156,
 igr2=1158,1159,
 &end
#
#    0 AMB  20-3:1171    77 ARG  HD-         4.50    (#   1171:20  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 607, 562,
 igr2=1158,1159,
 &end
#
#   77 ARG  HG+          77 ARG  HD-         4.50    (#   1173:20  Unique         2.23, 2.68 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1155,1156,
 igr2=1158,1159,
 &end
#
#   77 ARG  HB+          77 ARG  HD-         4.50    (#   1174:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153,
 igr2=1158,1159,
 &end
#
#    0 AMB  20-3:1175    77 ARG  HD-         4.50    (#   1175:20  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1152,1153,1155,1156,
 igr2=1158,1159,
 &end
#
#   27 LEU  MDY          11 TYR  HB-         4.50    (#   1176:20  Unique         2.04, 4.76 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 152, 153,
 &end
#
#    0 AMB  20-3:1177    11 TYR  HB-         4.50    (#   1177:20  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 921, 922, 923, 925, 926, 927, 883, 884, 885, 887,
       888, 889,
 igr2= 152, 153,
 &end
#
#   63 LEU  HA            0 AMB  20-1:1180   5.50    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 935, 936, 935, 936,
 &end
#
#   47 ASP  HA           47 ASP  HB+         3.50    (#   1181:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1181, nxpk= 20, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 691, 692,
 &end
#
#   50 GLU  HG+          47 ASP  HB+         4.50    (#   1182:20  Unique         1.99, 3.03 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 739, 740,
 igr2= 691, 692,
 &end
#
#   47 ASP  HA           47 ASP  HB-         4.50    (#   1184:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1184, nxpk= 20, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 691, 692,
 &end
#
#   50 GLU  HG+          47 ASP  HB-         4.50    (#   1185:20  Unique         1.99, 3.03 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 739, 740,
 igr2= 691, 692,
 &end
#
#    0 AMB  20-3:1192     0 AMB  20-1:1192   3.50    (#   1192:20  Double Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1667,1949,
 igr2=1669,1670,1669,1670,1951,1952,1951,1952,
 &end
#
#   27 LEU  MDX          27 LEU  HB+         4.50    (#   1195:20  Unique         1.96, 3.27 A)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 383, 384,
 &end
#
#   27 LEU  HA           27 LEU  HB+         4.50    (#   1196:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1196, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
#   27 LEU  HG           27 LEU  HB+         4.50    (#   1197:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1197, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
#   27 LEU  MDY          27 LEU  HB+         4.50    (#   1198:20  Unique         1.96, 3.27 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 383, 384,
 &end
#
#   27 LEU  MDX          27 LEU  HB-         4.50    (#   1199:20  Unique         1.96, 3.27 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 383, 384,
 &end
#
#   27 LEU  HG           27 LEU  HB-         4.50    (#   1200:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1200, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
#   27 LEU  HA           27 LEU  HB-         4.50    (#   1202:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1202, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
#   27 LEU  MDY          27 LEU  HB-         4.50    (#   1203:20  Unique         1.96, 3.27 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-3:1206     0 AMB  20-1:1206   4.50    (#   1206:20  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 197, 198,1054,1055,
 igr2= 203, 204, 203, 204,1060,1061,1060,1061,
 &end
#
#   69 LYS  HB-           0 AMB  20-1:1207   4.50    (#   1207:20  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1022,1023,
 igr2=1060,1061,1060,1061,
 &end
#
#    0 AMB  20-3:1208     0 AMB  20-1:1208   4.50    (#   1208:20  Double Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1022,1023,1022,1023,1022,1023,
 igr2= 980, 981,1060,1061,1060,1061,
 &end
#
#    0 AMB  20-3:1209     0 AMB  20-1:1209   4.50    (#   1209:20  Double Ambig)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1051,1052,1051,1052,1051,1052,
 igr2=1060,1061,1060,1061, 980, 981,
 &end
#
#    0 AMB  20-3:1212     0 AMB  20-1:1212   3.50    (#   1212:20  Double Ambig)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 897, 898, 897, 898,
 igr2= 906, 907, 906, 907,
 &end
#
#    0 AMB  20-3:1213     0 AMB  20-1:1213   4.50    (#   1213:20  Double Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 116, 117, 116, 117,
 igr2= 906, 907, 906, 907,
 &end
#
#    8 GLY  HA-           0 AMB  20-1:1215   4.50    (#   1215:20  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 116, 117,
 igr2= 906, 907, 906, 907,
 &end
#
#    0 AMB  20-3:1217     0 AMB  20-1:1217   3.50    (#   1217:20  Double Ambig)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 900, 901, 900, 901,
 igr2= 906, 907, 906, 907,
 &end
#
#   61 LYS  HG-           0 AMB  20-1:1218   3.50    (#   1218:20  Single Ambig)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 900, 901,
 igr2= 906, 907, 906, 907,
 &end
#
#    0 AMB  20-3:1221    66 ASP  HB-         4.50    (#   1221:20  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1051,1052,1057,1058,1057,1058,
 igr2= 980, 981,
 &end
#
#   15 VAL  MGY          56 ASP  HB+         4.50    (#   1224:20  Unique         2.95, 5.79 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 218, 219, 220, 222, 223, 224,
 igr2= 821, 822,
 &end
#
#   56 ASP  HA           56 ASP  HB+         4.50    (#   1225:20  Unique         2.60, 2.84 A)
 &rst
  ixpk= 1225, nxpk= 20, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#    0 AMB  20-3:1226     0 AMB  20-1:1226   4.50    (#   1226:20  Double Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 850, 851, 852, 854, 855, 856, 218, 219, 220, 222,
       223, 224,
 igr2= 821, 822, 821, 822,
 &end
#
#  126 ASP  HA            0 AMB  20-1:1227   3.50    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=1937,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1939,1940,1939,1940,
 &end
#
#   56 ASP  HA           56 ASP  HB-         4.50    (#   1228:20  Unique         2.60, 2.84 A)
 &rst
  ixpk= 1228, nxpk= 20, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   15 VAL  MGY          56 ASP  HB-         4.50    (#   1229:20  Unique         2.95, 5.79 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 218, 219, 220, 222, 223, 224,
 igr2= 821, 822,
 &end
#
#   58 VAL  MGY          56 ASP  HB-         4.50    (#   1231:20  Unique         2.67, 5.84 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 850, 851, 852, 854, 855, 856,
 igr2= 821, 822,
 &end
#
#   72 ILE  HG1-         72 ILE  HB          4.50    (#   1233:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1079,1080,
 &end
#
#   33 GLY  HA-          72 ILE  HB          4.50    (#   1236:20  Unique         2.04, 2.92 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 474,
 &end
#
#   72 ILE  QG2          72 ILE  HB          2.80    (#   1237:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1075,1076,1077,
 &end
#
#   72 ILE  HA           72 ILE  HB          5.50    (#   1238:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=1071,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:1239    72 ILE  HB          5.50    (#   1239:20  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 921, 922, 923, 925, 926, 927, 966, 967, 968, 970,
       971, 972, 966, 967, 968, 970, 971, 972,
 &end
#
#   44 PHE  HA           44 PHE  HB+         4.50    (#   1240:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 1240, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 633, 634,
 &end
#
#    5 PHE  HA            5 PHE  HB-         4.50    (#   1242:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#    0 AMB  20-3:1243     5 PHE  HB-         5.50    (#   1243:20  Single Ambig)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1075,1076,1077, 883, 884, 885, 887, 888, 889,1108,
      1109,1110,1112,1113,1114,
 igr2=  67,  68,
 &end
#
#   62 VAL  MGY           5 PHE  HB-         5.50    (#   1244:20  Unique         3.15, 7.35 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 921, 922, 923, 925, 926, 927,
 igr2=  67,  68,
 &end
#
#   62 VAL  MGY           5 PHE  HB+         4.50    (#   1247:20  Unique         3.15, 7.35 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 921, 922, 923, 925, 926, 927,
 igr2=  67,  68,
 &end
#
#    5 PHE  HA            5 PHE  HB+         4.50    (#   1248:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   40 VAL  HA           76 ILE  HB          4.50    (#   1251:20  Unique         1.99, 2.23 A)
 &rst
  ixpk= 1251, nxpk= 20, iat= 577,1133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1252    76 ILE  HB          5.50    (#   1252:20  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1139,1140,1139,1140,
 &end
#
#    0 AMB  20-3:1253    76 ILE  HB          3.50    (#   1253:20  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 581, 582, 583, 585, 586, 587,1142,1143,1144, 773,
       774, 775, 777, 778, 779,
 &end
#
#   40 VAL  MGY          76 ILE  HB          5.50    (#   1254:20  Unique         2.00, 4.05 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 581, 582, 583, 585, 586, 587,
 &end
#
#   76 ILE  QG2          76 ILE  HB          3.50    (#   1255:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1135,1136,1137,
 &end
#
#    0 AMB  20-3:1256    48 ILE  HB          3.50    (#   1256:20  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 709, 710, 709, 710,
 &end
#
#   48 ILE  QD1          48 ILE  HB          3.50    (#   1257:20  Unique         2.20, 3.12 A)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 712, 713, 714,
 &end
#
#   45 VAL  MGY          48 ILE  HB          5.50    (#   1258:20  Unique         2.52, 5.12 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#   21 TYR  HA           37 ILE  HB          4.50    (#   1259:20  Unique         2.60, 3.06 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 297, 534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ILE  HA           37 ILE  HB          4.50    (#   1260:20  Unique         2.42, 2.44 A)
 &rst
  ixpk= 1260, nxpk= 20, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1261    37 ILE  HB          3.50    (#   1261:20  Single Ambig)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 536, 537, 538, 712, 713, 714,
 &end
#
#   37 ILE  QD1          37 ILE  HB          3.50    (#   1262:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 543, 544, 545,
 &end
#
#    0 AMB  20-3:1263     0 AMB  20-1:1263   3.50    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 720,1639,
 igr2= 722, 723,1641,1642,
 &end
#
#  119 ILE  HG1-        119 ILE  HB          5.50    (#   1264:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1823,1824,
 &end
#
#  119 ILE  HG1+        119 ILE  HB          3.50    (#   1266:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1823,1824,
 &end
#
#    0 AMB  20-3:1267     0 AMB  20-1:1267   2.80    (#   1267:20  Double Ambig)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 543, 544, 545,1826,1827,1828,1819,1820,1821, 705,
       706, 707,
 igr2= 703,1817,
 &end
#
#   49 ASN  HA           49 ASN  HB-         3.50    (#   1270:20  Unique         2.30, 2.57 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 722, 723,
 &end
#
#  128 ILE  HG1+        128 ILE  HB          5.50    (#   1271:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1976,1977,
 &end
#
#    0 AMB  20-3:1272   128 ILE  HB          4.50    (#   1272:20  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1979,1980,1981,1972,1973,1974,
 &end
#
#   21 TYR  HA           21 TYR  HB-         3.50    (#   1274:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 1274, nxpk= 20, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 299, 300,
 &end
#
#   57 GLU  HB-          57 GLU  HG+         2.80    (#   1276:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 833, 834,
 igr2= 836, 837,
 &end
#
#    0 AMB  20-3:1277     0 AMB  20-1:1277   4.50    (#   1277:20  Double Ambig)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 175, 176, 177, 197, 198,
 igr2= 836, 837, 836, 837,
 &end
#
#    0 AMB  20-3:1279    57 GLU  HG-         4.50    (#   1279:20  Single Ambig)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 175, 176, 177, 197, 198,
 igr2= 836, 837,
 &end
#
#   50 GLU  HB-          50 GLU  HG+         4.50    (#   1281:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 736, 737,
 igr2= 739, 740,
 &end
#
#    0 AMB  20-3:1282    50 GLU  HG-         4.50    (#   1282:20  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 691, 692, 691, 692,
 igr2= 739, 740,
 &end
#
#   50 GLU  HB+          50 GLU  HG-         2.80    (#   1284:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 736, 737,
 igr2= 739, 740,
 &end
#
#   50 GLU  HB-          50 GLU  HG-         4.50    (#   1285:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 736, 737,
 igr2= 739, 740,
 &end
#
#    0 AMB  20-3:1287    67 GLU  HG-         4.50    (#   1287:20  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 igr2= 995, 996,
 &end
#
#   50 GLU  HA           50 GLU  HG-         4.50    (#   1288:20  Unique         2.12, 3.31 A)
 &rst
  ixpk= 1288, nxpk= 20, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 739, 740,
 &end
#
#   28 ASP  HA            0 AMB  20-1:1289   4.50    (#   1289:20  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 417, 418, 417, 418,
 &end
#
#    0 AMB  20-3:1291     0 AMB  20-1:1291   2.80    (#   1291:20  Double Ambig)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1005, 412, 990,
 igr2=1010,1011, 417, 418, 417, 418, 995, 996,
 &end
#
#   28 ASP  HB-           0 AMB  20-1:1292   4.50    (#   1292:20  Single Ambig)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 402, 403,
 igr2= 417, 418, 417, 418,
 &end
#
#   67 GLU  HA           67 GLU  HG+         3.50    (#   1294:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 1294, nxpk= 20, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 995, 996,
 &end
#
#   14 LYS  HG-           0 AMB  20-1:1309   5.50    (#   1309:20  Single Ambig)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 197, 198,
 igr2= 194, 195, 194, 195,
 &end
#
#   61 LYS  HG-          61 LYS  HB+         4.50    (#   1310:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 900, 901,
 igr2= 897, 898,
 &end
#
#    0 AMB  20-3:1311     0 AMB  20-1:1311   4.50    (#   1311:20  Double Ambig)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 900, 901,1188,1189,1190,
 igr2= 897, 898, 897, 898,
 &end
#
#    0 AMB  20-3:1312     0 AMB  20-1:1312   5.50    (#   1312:20  Double Ambig)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 igr2= 897, 898, 897, 898,
 &end
#
#    0 AMB  20-3:1313    61 LYS  HB-         4.50    (#   1313:20  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 900, 901,1188,1189,1190,
 igr2= 897, 898,
 &end
#
#    0 AMB  20-3:1314    61 LYS  HB-         4.50    (#   1314:20  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 igr2= 897, 898,
 &end
#
#   61 LYS  HG-          61 LYS  HB-         4.50    (#   1315:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 900, 901,
 igr2= 897, 898,
 &end
#
#   74 LEU  HB-          60 VAL  HB          4.50    (#   1316:20  Unique         2.21, 3.33 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1103,1104,
 &end
#
#   74 LEU  MDX          60 VAL  HB          2.80    (#   1317:20  Unique         2.17, 4.49 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1108,1109,1110,1112,1113,1114,
 &end
#
#   25 VAL  HA           25 VAL  HB          4.50    (#   1318:20  Unique         3.01, 3.02 A)
 &rst
  ixpk= 1318, nxpk= 20, iat= 355, 357, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1319    25 VAL  HB          4.50    (#   1319:20  Single Ambig)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 386, 218, 219, 220, 222, 223, 224, 327, 328, 329,
      
 &end
#
#    0 AMB  20-3:1320    25 VAL  HB          4.50    (#   1320:20  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 883, 884, 885, 887, 888, 889, 503, 504, 505, 507,
       508, 509,
 &end
#
#    0 AMB  20-3:1321    25 VAL  HB          2.80    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 359, 360, 361, 363, 364, 365,1108,1109,1110,1112,
      1113,1114, 883, 884, 885, 887, 888, 889,
 &end
#
#   25 VAL  MGY          25 VAL  HB          3.50    (#   1322:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:1323    58 VAL  HB          4.50    (#   1323:20  Single Ambig)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 773, 774, 775, 777, 778, 779,1142,1143,1144,
 &end
#
#   15 VAL  MGY          58 VAL  HB          4.50    (#   1324:20  Unique         2.36, 5.44 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:1325    58 VAL  HB          4.50    (#   1325:20  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 773, 774, 775, 777, 778, 779,1142,1143,1144,
 &end
#
#   58 VAL  MGY          58 VAL  HB          3.50    (#   1326:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   58 VAL  MGX          58 VAL  HB          3.50    (#   1327:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:1328    65 VAL  HB          5.50    (#   1328:20  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 921, 922, 923, 925, 926, 927,1075,1076,1077,
 &end
#
#   65 VAL  HA           65 VAL  HB          4.50    (#   1329:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 962, 964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 VAL  MGX          65 VAL  HB          4.50    (#   1330:20  Unique         3.23, 6.19 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  20-3:1331    65 VAL  HB          2.80    (#   1331:20  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 921, 922, 923, 925, 926, 927, 966, 967, 968, 970,
       971, 972, 966, 967, 968, 970, 971, 972,
 &end
#
#   66 ASP  HB-          71 LYS  HB+         5.50    (#   1332:20  Unique         2.39, 3.80 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 980, 981,
 igr2=1051,1052,
 &end
#
#   71 LYS  HA           71 LYS  HB+         4.50    (#   1334:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1051,1052,
 &end
#
#    0 AMB  20-3:1335     0 AMB  20-1:1335   3.50    (#   1335:20  Double Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1054,1055,1025,1026,1025,1026,
 igr2=1051,1052,1051,1052,1051,1052,
 &end
#
#   71 LYS  HG-          71 LYS  HB+         4.50    (#   1336:20  Unique         2.25, 2.69 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1051,1052,
 &end
#
#    0 AMB  20-3:1337     0 AMB  20-1:1337   4.50    (#   1337:20  Double Ambig)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1060,1061,1060,1061, 980, 981,
 igr2=1051,1052,1051,1052,1051,1052,
 &end
#
#   71 LYS  HA           71 LYS  HB-         4.50    (#   1338:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1051,1052,
 &end
#
#    0 AMB  20-3:1340    71 LYS  HB-         3.50    (#   1340:20  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1054,1055,1025,1026,1025,1026,
 igr2=1051,1052,
 &end
#
#    0 AMB  20-3:1341    71 LYS  HB-         4.50    (#   1341:20  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1060,1061,1060,1061, 980, 981,
 igr2=1051,1052,
 &end
#
#   71 LYS  HG-          71 LYS  HB-         4.50    (#   1342:20  Unique         2.25, 2.69 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1051,1052,
 &end
#
#   66 ASP  HB-          71 LYS  HB-         5.50    (#   1343:20  Unique         2.39, 3.80 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 980, 981,
 igr2=1051,1052,
 &end
#
#   59 GLN  HB-          59 GLN  HG+         3.50    (#   1344:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 864, 865,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-3:1345     0 AMB  20-1:1345   4.50    (#   1345:20  Double Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 850, 851, 852, 854, 855, 856, 138, 139, 140, 142,
       143, 144, 138, 139, 140, 142, 143, 144,
 igr2= 867, 868, 867, 868, 867, 868,
 &end
#
#    0 AMB  20-3:1346    59 GLN  HG-         3.50    (#   1346:20  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 864, 865, 836, 837,
 igr2= 867, 868,
 &end
#
#   59 GLN  HB-          59 GLN  HG-         4.50    (#   1347:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 864, 865,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-3:1348    59 GLN  HG-         4.50    (#   1348:20  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 850, 851, 852, 854, 855, 856, 138, 139, 140, 142,
       143, 144, 138, 139, 140, 142, 143, 144,
 igr2= 867, 868,
 &end
#
#   26 ALA  HA            0 AMB  20-1:1356   3.50    (#   1356:20  Single Ambig)
 &rst
  ixpk= 1356, nxpk= 20, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 461, 462, 461, 462,
 &end
#
#    0 AMB  20-3:1357     0 AMB  20-1:1357   4.50    (#   1357:20  Double Ambig)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1= 373, 374, 375,  45,  46,  45,  46,
 igr2= 461, 462, 461, 462,  90,  91,  90,  91,
 &end
#
#  106 GLN  HA            0 AMB  20-1:1358   5.50    (#   1358:20  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 20, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1600,1601,1600,1601,
 &end
#
#   97 GLN  HA            0 AMB  20-1:1359   5.50    (#   1359:20  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 20, iat=1472,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1477,1478,1477,1478,
 &end
#
#    0 AMB  20-3:1367     0 AMB  20-1:1367   2.80    (#   1367:20  Double Ambig)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1200,1201,1200,1201,1200,1201,
 igr2=1203,1204,1203,1204,1203,1204,
 &end
#
#    0 AMB  20-3:1370     0 AMB  20-1:1370   4.50    (#   1370:20  Double Ambig)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1=1028,1029,1028,1029,1057,1058,1057,1058,
 igr2=1022,1023,1022,1023,1022,1023,1022,1023,
 &end
#
#   71 LYS  HG+          69 LYS  HB+         3.50    (#   1372:20  Unique         2.82, 5.81 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1054,1055,
 igr2=1022,1023,
 &end
#
#   69 LYS  HA           69 LYS  HB+         3.50    (#   1373:20  Unique         2.48, 2.81 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1022,1023,
 &end
#
#   46 LYS  HA            0 AMB  20-1:1374   2.80    (#   1374:20  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 669, 670, 669, 670,
 &end
#
#    0 AMB  20-3:1375    10 VAL  HB          2.80    (#   1375:20  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   69 LYS  HA           69 LYS  HB-         4.50    (#   1376:20  Unique         2.48, 2.81 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1022,1023,
 &end
#
#    0 AMB  20-3:1378    69 LYS  HB-         3.50    (#   1378:20  Single Ambig)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1025,1026,1025,1026,1054,1055,
 igr2=1022,1023,
 &end
#
#    4 LYS  HA            4 LYS  HB+         4.50    (#   1379:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  45,  46,
 &end
#
#    4 LYS  HG+           4 LYS  HB+         3.50    (#   1381:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  48,  49,
 igr2=  45,  46,
 &end
#
#    4 LYS  HA            4 LYS  HB-         4.50    (#   1382:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  45,  46,
 &end
#
#    4 LYS  HG-           4 LYS  HB-         4.50    (#   1384:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  48,  49,
 igr2=  45,  46,
 &end
#
#    4 LYS  HG+           4 LYS  HB-         3.50    (#   1385:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  48,  49,
 igr2=  45,  46,
 &end
#
#   51 HIS  HA           51 HIS  HB+         5.50    (#   1386:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1386, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#    0 AMB  20-3:1388     0 AMB  20-1:1388   4.50    (#   1388:20  Double Ambig)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 581, 582, 583, 585, 586, 587, 771,
 igr2= 751, 752, 751, 752,
 &end
#
#   45 VAL  HA           45 VAL  HB          4.50    (#   1389:20  Unique         2.43, 2.58 A)
 &rst
  ixpk= 1389, nxpk= 20, iat= 651, 653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1390    45 VAL  HB          4.50    (#   1390:20  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 540, 541, 540, 541,
 &end
#
#    0 AMB  20-3:1391    45 VAL  HB          2.80    (#   1391:20  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 597, 598, 599, 655, 656, 657, 659, 660, 661, 601,
      
 &end
#
#   19 GLN  HB-          19 GLN  HG-         3.50    (#   1395:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 272, 273,
 igr2= 275, 276,
 &end
#
#   19 GLN  HA           19 GLN  HG-         4.50    (#   1396:20  Unique         2.11, 3.03 A)
 &rst
  ixpk= 1396, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 275, 276,
 &end
#
#   98 VAL  HA           98 VAL  HB          5.50    (#   1400:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=1489,1491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLN  HB-          19 GLN  HG+         2.80    (#   1401:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 272, 273,
 igr2= 275, 276,
 &end
#
#  129 LYS  HA          129 LYS  HB+         2.80    (#   1404:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=1987,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1989,1990,
 &end
#
#  121 MET  HA            0 AMB  20-1:1405   4.50    (#   1405:20  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=1849,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1854,1855,1854,1855,
 &end
#
#    0 AMB  20-3:1406     0 AMB  20-1:1406   3.50    (#   1406:20  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 270, 499,
 igr2= 275, 276, 501,
 &end
#
#    0 AMB  20-3:1407    35 VAL  HB          2.80    (#   1407:20  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1103,1104, 327, 328, 329,
 &end
#
#    0 AMB  20-3:1408    35 VAL  HB          2.80    (#   1408:20  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1142,1143,1144, 581, 582, 583, 585, 586, 587, 503,
       504, 505, 507, 508, 509,
 &end
#
#    0 AMB  20-3:1409    35 VAL  HB          2.80    (#   1409:20  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 503, 504, 505, 507, 508, 509,1108,1109,1110,1112,
      1113,1114,
 &end
#
#   26 ALA  MB           32 GLN  HB-         7.00    (#   1410:20  Unique         2.66, 5.04 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 373, 374, 375,
 igr2= 458, 459,
 &end
#
#   40 VAL  MGX          40 VAL  HB          2.80    (#   1411:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:1412    40 VAL  HB          2.80    (#   1412:20  Single Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 581, 582, 583, 585, 586, 587, 712, 713, 714,
 &end
#
#   45 VAL  MGX          40 VAL  HB          5.50    (#   1413:20  Unique         2.45, 5.27 A)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#   26 ALA  HA           32 GLN  HB+         5.50    (#   1414:20  Unique         1.95, 3.58 A)
 &rst
  ixpk= 1414, nxpk= 20, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 458, 459,
 &end
#
#   90 PRO  HD-           0 AMB  20-1:1416   4.50    (#   1416:20  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1355,1356,
 igr2=1336,1337,1336,1337,
 &end
#
#    0 AMB  20-3:1420     0 AMB  20-1:1420   3.50    (#   1420:20  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1854,1855,1854,1855,
 igr2=1851,1852,1851,1852,
 &end
#
#    0 AMB  20-3:1421   121 MET  HB-         3.50    (#   1421:20  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1854,1855,1854,1855,
 igr2=1851,1852,
 &end
#
#   30 GLU  HA           30 GLU  HB+         3.50    (#   1422:20  Unique         2.37, 2.47 A)
 &rst
  ixpk= 1422, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 429, 430,
 &end
#
#   26 ALA  HA           32 GLN  HB-         5.50    (#   1423:20  Unique         1.95, 3.58 A)
 &rst
  ixpk= 1423, nxpk= 20, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 458, 459,
 &end
#
#   40 VAL  HA           40 VAL  HB          4.50    (#   1425:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1425, nxpk= 20, iat= 577, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1429     0 AMB  20-1:1429   2.80    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1589,1364,1424,
 igr2=1586,1587,1361,1362,1421,1422,
 &end
#
#    0 AMB  20-3:1431     0 AMB  20-1:1431   5.50    (#   1431:20  Double Ambig)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1355,1356,1415,1416,1580,1581,
 igr2=1361,1362,1421,1422,1586,1587,
 &end
#
#    0 AMB  20-3:1434     0 AMB  20-1:1434   4.50    (#   1434:20  Double Ambig)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1355,1356,1415,1416,1580,1581,
 igr2=1361,1362,1421,1422,1586,1587,
 &end
#
#    0 AMB  20-3:1435     0 AMB  20-1:1435   7.00    (#   1435:20  Double Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.00, r4=14.50,
 igr1=1355,1356,1415,1416,1580,1581,1234,1235,
 igr2=1361,1362,1421,1422,1586,1587,1240,1241,
 &end
#
#    0 AMB  20-3:1437     0 AMB  20-1:1437   2.80    (#   1437:20  Double Ambig)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1243,1370,
 igr2=1240,1241,1361,1362,
 &end
#
#   54 VAL  HA           15 VAL  HB          4.50    (#   1440:20  Unique         2.00, 2.22 A)
 &rst
  ixpk= 1440, nxpk= 20, iat= 796, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  HA           15 VAL  HB          4.50    (#   1441:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1441, nxpk= 20, iat= 214, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  MGY          15 VAL  HB          2.80    (#   1442:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:1443    15 VAL  HB          2.80    (#   1443:20  Single Ambig)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 218, 219, 220, 222, 223, 224, 800, 801, 802, 804,
       805, 806, 800, 801, 802, 804, 805, 806,
 &end
#
#   83 PRO  HA           83 PRO  HB-         3.50    (#   1446:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1240,1241,
 &end
#
#    0 AMB  20-3:1447    83 PRO  HB-         2.80    (#   1447:20  Single Ambig)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1237,1238,1237,1238,
 igr2=1240,1241,
 &end
#
#    0 AMB  20-3:1450     0 AMB  20-1:1450   3.50    (#   1450:20  Double Ambig)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  65, 952,
 igr2=  87,  88,  87,  88,  87,  88,
 &end
#
#   56 ASP  HB+          15 VAL  HB          5.50    (#   1453:20  Unique         4.09, 4.58 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 821, 822,
 &end
#
#   19 GLN  HG+          19 GLN  HB+         3.50    (#   1454:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 275, 276,
 igr2= 272, 273,
 &end
#
#   19 GLN  HA           19 GLN  HB-         4.50    (#   1455:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 1455, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 272, 273,
 &end
#
#   36 HIS  HA           36 HIS  HB-         4.50    (#   1457:20  Unique         2.52, 2.81 A)
 &rst
  ixpk= 1457, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 517, 518,
 &end
#
#    7 VAL  HA            7 VAL  HB          4.50    (#   1458:20  Unique         2.41, 2.52 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 100, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 VAL  MGX           7 VAL  HB          2.80    (#   1459:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  20-3:1460     7 VAL  HB          2.80    (#   1460:20  Single Ambig)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 104, 105, 106, 108, 109, 110, 921, 922, 923, 925,
       926, 927,
 &end
#
#   19 GLN  HA           19 GLN  HB+         4.50    (#   1461:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 1461, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 272, 273,
 &end
#
#   19 GLN  HG+          19 GLN  HB-         4.50    (#   1463:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 275, 276,
 igr2= 272, 273,
 &end
#
#   19 GLN  HG-          19 GLN  HB-         4.50    (#   1464:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 275, 276,
 igr2= 272, 273,
 &end
#
#    0 AMB  20-3:1469    62 VAL  HB          3.50    (#   1469:20  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 104, 105, 106, 108, 109, 110, 921, 922, 923, 925,
       926, 927,
 &end
#
#    0 AMB  20-3:1470    62 VAL  HB          3.50    (#   1470:20  Single Ambig)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1108,1109,1110,1112,1113,1114, 921, 922, 923, 925,
       926, 927,
 &end
#
#   14 LYS  HG-          57 GLU  HB+         4.50    (#   1471:20  Unique         2.10, 4.18 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 197, 198,
 igr2= 833, 834,
 &end
#
#   54 VAL  HA           54 VAL  HB          4.50    (#   1472:20  Unique         2.42, 2.81 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 796, 798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1473    54 VAL  HB          2.80    (#   1473:20  Single Ambig)
 &rst
  ixpk= 1473, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 800, 801, 802, 804, 805, 806, 800, 801, 802, 804,
       805, 806,
 &end
#
#    0 AMB  20-3:1474    54 VAL  HB          7.00    (#   1474:20  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 785, 720,
 &end
#
#   80 GLN  HA            0 AMB  20-1:1476   3.50    (#   1476:20  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1200,1201,1200,1201,
 &end
#
#    0 AMB  20-3:1477     0 AMB  20-1:1477   4.50    (#   1477:20  Double Ambig)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1891,1370,
 igr2=1893,1894,1372,1373,1372,1373,
 &end
#
#    0 AMB  20-3:1482     0 AMB  20-1:1482   2.80    (#   1482:20  Double Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1203,1204,1203,1204,1203,1204,
 igr2=1200,1201,1200,1201,1200,1201,
 &end
#
#  100 GLU  HA          100 GLU  HB-         2.80    (#   1483:20  Unique         2.41, 2.68 A)
 &rst
  ixpk= 1483, nxpk= 20, iat=1516,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1518,1519,
 &end
#
#   87 GLU  HA           87 GLU  HB-         4.50    (#   1484:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1484, nxpk= 20, iat=1308,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1310,1311,
 &end
#
#  117 GLU  HA            0 AMB  20-1:1485   2.80    (#   1485:20  Single Ambig)
 &rst
  ixpk= 1485, nxpk= 20, iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1778,1779,1778,1779,
 &end
#
#    0 AMB  20-3:1487     0 AMB  20-1:1487   3.50    (#   1487:20  Double Ambig)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1516,1264,
 igr2=1518,1519,1251,1252,1251,1252,
 &end
#
#    0 AMB  20-3:1489     0 AMB  20-1:1489   2.80    (#   1489:20  Double Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1761,1249,
 igr2=1763,1764,1763,1764,1251,1252,1251,1252,
 &end
#
#   79 THR  MG2          59 GLN  HB+         4.50    (#   1491:20  Unique         3.17, 6.79 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1188,1189,1190,
 igr2= 864, 865,
 &end
#
#    0 AMB  20-3:1493     0 AMB  20-1:1493   4.50    (#   1493:20  Double Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 igr2= 864, 865, 864, 865,
 &end
#
#   59 GLN  HG+          59 GLN  HB-         3.50    (#   1496:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 867, 868,
 igr2= 864, 865,
 &end
#
#   79 THR  MG2          59 GLN  HB-         5.50    (#   1498:20  Unique         3.17, 6.79 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1188,1189,1190,
 igr2= 864, 865,
 &end
#
#    0 AMB  20-3:1499    59 GLN  HB-         4.50    (#   1499:20  Single Ambig)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 igr2= 864, 865,
 &end
#
#   37 ILE  HA            0 AMB  20-1:1500   4.50    (#   1500:20  Single Ambig)
 &rst
  ixpk= 1500, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-3:1501     0 AMB  20-1:1501   3.50    (#   1501:20  Double Ambig)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 705, 706, 707, 581, 582, 583, 585, 586, 587,
 igr2= 709, 710, 709, 710, 709, 710,
 &end
#
#    0 AMB  20-3:1502     0 AMB  20-1:1502   2.80    (#   1502:20  Double Ambig)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 581, 582, 583, 585, 586, 587, 712, 713, 714,
 igr2= 709, 710, 709, 710, 709, 710,
 &end
#
#   48 ILE  HB            0 AMB  20-1:1503   4.50    (#   1503:20  Single Ambig)
 &rst
  ixpk= 1503, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 709, 710, 709, 710,
 &end
#
#   69 LYS  HB-           0 AMB  20-1:1511   4.50    (#   1511:20  Single Ambig)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1022,1023,
 igr2=1007,1008,1007,1008,
 &end
#
#    0 AMB  20-3:1513     0 AMB  20-1:1513   2.80    (#   1513:20  Double Ambig)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1834, 990,
 igr2=1836,1837, 992, 993,
 &end
#
#   59 GLN  HG-          59 GLN  HB-         2.80    (#   1517:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 867, 868,
 igr2= 864, 865,
 &end
#
#    0 AMB  20-3:1528     0 AMB  20-1:1528   7.00    (#   1528:20  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 562, 499,
 igr2= 564, 565, 564, 565,
 &end
#
#   76 ILE  HB            0 AMB  20-1:1530   5.50    (#   1530:20  Single Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 564, 565, 564, 565,
 &end
#
#    0 AMB  20-3:1534     0 AMB  20-1:1534   2.80    (#   1534:20  Double Ambig)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1005, 412,
 igr2=1007,1008,1007,1008, 414, 415,
 &end
#
#    0 AMB  20-3:1538     0 AMB  20-1:1538   3.50    (#   1538:20  Double Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 igr2= 992, 993, 992, 993,1007,1008,
 &end
#
#   77 ARG  HD-          77 ARG  HB-         7.00    (#   1542:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1158,1159,
 igr2=1152,1153,
 &end
#
#  106 GLN  HA          106 GLN  HB-         4.50    (#   1543:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1597,1598,
 &end
#
#   29 GLU  HA           29 GLU  HB-         2.80    (#   1544:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1544, nxpk= 20, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 414, 415,
 &end
#
#   50 GLU  HA           50 GLU  HB-         4.50    (#   1545:20  Unique         2.35, 2.68 A)
 &rst
  ixpk= 1545, nxpk= 20, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 736, 737,
 &end
#
#    0 AMB  20-3:1549    50 GLU  HB-         3.50    (#   1549:20  Single Ambig)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 672, 673, 672, 673,
 igr2= 736, 737,
 &end
#
#   77 ARG  HA           77 ARG  HB+         4.50    (#   1551:20  Unique         2.37, 2.45 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1152,1153,
 &end
#
#   77 ARG  HD+          77 ARG  HB+         5.50    (#   1552:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1158,1159,
 igr2=1152,1153,
 &end
#
#   77 ARG  HG+          77 ARG  HB+         4.50    (#   1553:20  Unique         2.24, 2.72 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1155,1156,
 igr2=1152,1153,
 &end
#
#    0 AMB  20-3:1556    77 ARG  HB-         7.00    (#   1556:20  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 607, 562,
 igr2=1152,1153,
 &end
#
#   77 ARG  HA           77 ARG  HB-         4.50    (#   1557:20  Unique         2.37, 2.45 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1152,1153,
 &end
#
#   77 ARG  HD+          77 ARG  HB-         5.50    (#   1558:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1158,1159,
 igr2=1152,1153,
 &end
#
#   77 ARG  HG+          77 ARG  HB-         5.50    (#   1560:20  Unique         2.24, 2.72 A)
 &rst
  ixpk= 1560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1155,1156,
 igr2=1152,1153,
 &end
#
#    4 LYS  HA            0 AMB  20-1:1574   5.50    (#   1574:20  Single Ambig)
 &rst
  ixpk= 1574, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=  51,  52,  51,  52,
 &end
#
#    4 LYS  HB-           0 AMB  20-1:1575   3.50    (#   1575:20  Single Ambig)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  45,  46,
 igr2=  51,  52,  51,  52,
 &end
#
#    4 LYS  HG-           0 AMB  20-1:1576   4.50    (#   1576:20  Single Ambig)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  48,  49,
 igr2=  51,  52,  51,  52,
 &end
#
#    0 AMB  20-3:1577     0 AMB  20-1:1577   3.50    (#   1577:20  Double Ambig)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  54,  55,  54,  55,  54,  55,
 igr2=  51,  52,  51,  52,  51,  52,
 &end
#
#    0 AMB  20-3:1578     0 AMB  20-1:1578   3.50    (#   1578:20  Double Ambig)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  48,  49,  48,  49,
 igr2=  51,  52,  51,  52,
 &end
#
#    0 AMB  20-3:1580     0 AMB  20-1:1580   4.50    (#   1580:20  Double Ambig)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=1188,1189,1190, 900, 901, 900, 901,
 igr2=1139,1140,1139,1140,1139,1140,
 &end
#
#    0 AMB  20-3:1582     0 AMB  20-1:1582   3.50    (#   1582:20  Double Ambig)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 503, 504, 505, 507, 508, 509, 883, 884, 885, 887,
       888, 889,
 igr2=1139,1140,1139,1140,1139,1140,
 &end
#
#    0 AMB  20-3:1583     0 AMB  20-1:1583   4.50    (#   1583:20  Double Ambig)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 883, 884, 885, 887, 888, 889, 771,
 igr2=1139,1140,1139,1140,1139,1140,
 &end
#
#   76 ILE  HA            0 AMB  20-1:1584   4.50    (#   1584:20  Single Ambig)
 &rst
  ixpk= 1584, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1139,1140,1139,1140,
 &end
#
#    0 AMB  20-3:1586     0 AMB  20-1:1586   4.50    (#   1586:20  Double Ambig)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1049,1131,
 igr2=1057,1058,1057,1058,1139,1140,1139,1140,
 &end
#
#   71 LYS  HA            0 AMB  20-1:1587   4.50    (#   1587:20  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1057,1058,1057,1058,
 &end
#
#   37 ILE  QD1           0 AMB  20-1:1591   2.80    (#   1591:20  Single Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 543, 544, 545,
 igr2= 540, 541, 540, 541,
 &end
#
#   37 ILE  HA            0 AMB  20-1:1593   3.50    (#   1593:20  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 540, 541, 540, 541,
 &end
#
#   37 ILE  QG2           0 AMB  20-1:1594   3.50    (#   1594:20  Single Ambig)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 536, 537, 538,
 igr2= 540, 541, 540, 541,
 &end
#
#   40 VAL  MGX           0 AMB  20-1:1596   2.80    (#   1596:20  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 581, 582, 583, 585, 586, 587,
 igr2= 540, 541, 540, 541,
 &end
#
#    0 AMB  20-3:1597     0 AMB  20-1:1597   5.50    (#   1597:20  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 689, 720,
 igr2= 540, 541, 540, 541, 540, 541,
 &end
#
#   48 ILE  HB            0 AMB  20-1:1603   7.00    (#   1603:20  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 540, 541, 540, 541,
 &end
#
#   72 ILE  HA           72 ILE  HG1+        5.50    (#   1605:20  Unique         2.57, 3.02 A)
 &rst
  ixpk= 1605, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1079,1080,
 &end
#
#    0 AMB  20-3:1607     0 AMB  20-1:1607   2.80    (#   1607:20  Double Ambig)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 igr2=1079,1080,1079,1080,
 &end
#
#   72 ILE  QD1          72 ILE  HG1+        3.50    (#   1608:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1082,1083,1084,
 igr2=1079,1080,
 &end
#
#   72 ILE  HA           72 ILE  HG1-        5.50    (#   1611:20  Unique         2.57, 3.02 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1079,1080,
 &end
#
#    0 AMB  20-3:1612    72 ILE  HG1-        2.80    (#   1612:20  Single Ambig)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 igr2=1079,1080,
 &end
#
#   72 ILE  QD1          72 ILE  HG1-        3.50    (#   1613:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1082,1083,1084,
 igr2=1079,1080,
 &end
#
#    0 AMB  20-3:1623    24 PHE  HA          4.50    (#   1623:20  Single Ambig)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 497, 228,
 &end
#
#    0 AMB  20-3:1624    73 SER  HA          5.50    (#   1624:20  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1069,1118,
 &end
#
#   24 PHE  HD           24 PHE  HA          4.50    (#   1625:20  Unique         2.52, 3.36 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 341, 349,
 &end
#
#   34 LEU  HA           24 PHE  HA          3.50    (#   1626:20  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1626, nxpk= 20, iat= 480, 335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LEU  HN           73 SER  HA          4.50    (#   1627:20  Unique         3.11, 4.01 A)
 &rst
  ixpk= 1627, nxpk= 20, iat= 478,1090, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  HN           73 SER  HA          3.50    (#   1628:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=1099,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 ILE  HN           75 SER  HA          4.50    (#   1629:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=1129,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1630    60 VAL  HA          3.50    (#   1630:20  Single Ambig)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 893, 877,
 &end
#
#   58 VAL  HN           57 GLU  HA          2.80    (#   1631:20  Unique         2.15, 2.15 A)
 &rst
  ixpk= 1631, nxpk= 20, iat= 844, 831, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 GLU  HN           57 GLU  HA          4.50    (#   1632:20  Unique         2.86, 2.86 A)
 &rst
  ixpk= 1632, nxpk= 20, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  HN           57 GLU  HA          4.50    (#   1633:20  Unique         3.34, 3.57 A)
 &rst
  ixpk= 1633, nxpk= 20, iat= 212, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GLY  HN           59 GLN  HA          4.50    (#   1637:20  Unique         2.96, 3.47 A)
 &rst
  ixpk= 1637, nxpk= 20, iat= 183, 862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HN           59 GLN  HA          3.50    (#   1638:20  Unique         2.14, 2.22 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 877, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GLN  HN           59 GLN  HA          5.50    (#   1639:20  Unique         2.76, 2.90 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 860, 862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:1640    32 GLN  HA          2.80    (#   1640:20  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 471, 454,
 &end
#
#   27 LEU  HN           32 GLN  HA          4.50    (#   1641:20  Unique         2.38, 3.02 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 379, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  HN           14 LYS  HA          3.50    (#   1642:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 212, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 LYS  HN           14 LYS  HA          4.50    (#   1643:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1643, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HA           14 LYS  HA          3.50    (#   1644:20  Unique         1.99, 2.17 A)
 &rst
  ixpk= 1644, nxpk= 20, iat= 831, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 TYR  HN           61 LYS  HA          4.50    (#   1645:20  Unique         2.00, 2.89 A)
 &rst
  ixpk= 1645, nxpk= 20, iat= 148, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 VAL  HN           61 LYS  HA          4.50    (#   1646:20  Unique         2.14, 2.25 A)
 &rst
  ixpk= 1646, nxpk= 20, iat= 915, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 VAL  HA           61 LYS  HA          3.50    (#   1648:20  Unique         1.97, 2.36 A)
 &rst
  ixpk= 1648, nxpk= 20, iat= 134, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 VAL  HN           34 LEU  HA          3.50    (#   1649:20  Unique         2.16, 2.20 A)
 &rst
  ixpk= 1649, nxpk= 20, iat= 497, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 PHE  HA           34 LEU  HA          4.50    (#   1650:20  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 335, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LEU  HN           74 LEU  HA          5.50    (#   1651:20  Unique         2.85, 3.13 A)
 &rst
  ixpk= 1651, nxpk= 20, iat= 931,1101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 SER  HN           74 LEU  HA          4.50    (#   1652:20  Unique         2.19, 2.29 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=1118,1101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           66 ASP  HA          4.50    (#   1654:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 1654, nxpk= 20, iat= 988, 978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 PHE  HN           23 ALA  HA          3.50    (#   1656:20  Unique         2.16, 2.30 A)
 &rst
  ixpk= 1656, nxpk= 20, iat= 333, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-3:1657    23 ALA  HA          4.50    (#   1657:20  Single Ambig)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 268, 323,
 &end
#
#   18 LEU  HA           23 ALA  HA          3.50    (#   1659:20  Unique         2.00, 2.28 A)
 &rst
  ixpk= 1659, nxpk= 20, iat= 251, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLY  HN           12 THR  HA          3.50    (#   1667:20  Unique         2.15, 2.20 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 183, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           12 THR  HA          4.50    (#   1668:20  Unique         2.73, 3.87 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 877, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 VAL  HN           10 VAL  HA          5.50    (#   1671:20  Unique         2.89, 2.93 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 TYR  HN           10 VAL  HA          3.50    (#   1672:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 1672, nxpk= 20, iat= 148, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 VAL  HN           10 VAL  HA          4.50    (#   1673:20  Unique         3.19, 3.87 A)
 &rst
  ixpk= 1673, nxpk= 20, iat= 915, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LEU  HA           35 VAL  HA          5.50    (#   1677:20  Unique         4.38, 4.40 A)
 &rst
  ixpk= 1677, nxpk= 20, iat= 480, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 VAL  HN           35 VAL  HA          4.50    (#   1678:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1678, nxpk= 20, iat= 497, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 HIS  HN            0 AMB  20-1:1679   3.50    (#   1679:20  Single Ambig)
 &rst
  ixpk= 1679, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 515,
 &end
#
#    0 AMB  20-3:1680     0 AMB  20-1:1680   4.50    (#   1680:20  Double Ambig)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1099, 560, 323,
 igr2= 499, 515,
 &end
#
#   37 ILE  HN           36 HIS  HA          3.50    (#   1681:20  Unique         2.17, 2.25 A)
 &rst
  ixpk= 1681, nxpk= 20, iat= 530, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 GLU  HN           29 GLU  HA          4.50    (#   1683:20  Unique         2.27, 2.28 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 410, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLU  HN           67 GLU  HA          4.50    (#   1684:20  Unique         3.42, 3.46 A)
 &rst
  ixpk= 1684, nxpk= 20, iat=1003, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 HIS  HN           41 THR  HA          4.50    (#   1685:20  Unique         2.17, 2.36 A)
 &rst
  ixpk= 1685, nxpk= 20, iat= 605, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 THR  HN           41 THR  HA          4.50    (#   1686:20  Unique         2.87, 2.91 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 591, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LYS  HN           68 GLU  HA          4.50    (#   1687:20  Unique         3.52, 3.56 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=1018,1005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLU  HN           68 GLU  HA          4.50    (#   1688:20  Unique         2.77, 2.85 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=1003,1005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           67 GLU  HA          4.50    (#   1689:20  Unique         2.84, 2.88 A)
 &rst
  ixpk= 1689, nxpk= 20, iat= 988, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 GLY  HN           67 GLU  HA          4.50    (#   1690:20  Unique         3.28, 3.70 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=1040, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1691    77 ARG  HA          4.50    (#   1691:20  Single Ambig)
 &rst
  ixpk= 1691, nxpk= 20, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1148, 605,
 &end
#
#  118 TRP  HD1         118 TRP  HA          5.50    (#   1693:20  Unique         2.63, 4.03 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=1797,1791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:1694     0 AMB  20-1:1694   4.50    (#   1694:20  Double Ambig)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1625,1633,1808,
 igr2=1619,1791,
 &end
#
#  119 ILE  HN          118 TRP  HA          4.50    (#   1695:20  Unique         2.14, 2.33 A)
 &rst
  ixpk= 1695, nxpk= 20, iat=1813,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 VAL  HN           44 PHE  HA          2.80    (#   1698:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 1698, nxpk= 20, iat= 649, 631, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HD           44 PHE  HA          4.50    (#   1699:20  Unique         2.07, 3.58 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 637, 645,
 &end
#
#  108 PHE  HD          108 PHE  HA          5.50    (#   1700:20  Unique         2.17, 3.63 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1625,1633,
 &end
#
#   43 GLY  HN           42 HIS  HA          4.50    (#   1702:20  Unique         2.28, 3.34 A)
 &rst
  ixpk= 1702, nxpk= 20, iat= 622, 607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 TRP  HN          117 GLU  HA          4.50    (#   1704:20  Unique         2.14, 2.48 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=1789,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           50 GLU  HA          4.50    (#   1709:20  Unique         2.77, 2.84 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 732, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HN           50 GLU  HA          5.50    (#   1710:20  Unique         3.43, 3.46 A)
 &rst
  ixpk= 1710, nxpk= 20, iat= 747, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LEU  HN           51 HIS  HA          4.50    (#   1711:20  Unique         3.46, 3.54 A)
 &rst
  ixpk= 1711, nxpk= 20, iat= 764, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 PHE  HN            5 PHE  HA          4.50    (#   1712:20  Unique         2.28, 2.81 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  63,  65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLU  HN            5 PHE  HA          3.50    (#   1714:20  Unique         2.14, 2.30 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=  83,  65, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HD            5 PHE  HA          4.50    (#   1715:20  Unique         2.02, 3.44 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  79,
 &end
#
#    4 LYS  HN            4 LYS  HA          4.50    (#   1716:20  Unique         2.86, 2.93 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=  41,  43, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 PHE  HN            4 LYS  HA          3.50    (#   1717:20  Unique         3.09, 3.40 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=  63,  43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-3:1718     0 AMB  20-1:1718   3.50    (#   1718:20  Double Ambig)
 &rst
  ixpk= 1718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1544,1935,1450,1913,
 igr2=1531,1915,1430,
 &end
#
#  112 LYS  HN          112 LYS  HA          4.50    (#   1720:20  Unique         2.28, 2.86 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=1684,1686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 GLU  HN           84 GLU  HA          4.50    (#   1721:20  Unique         2.27, 2.84 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=1247,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 LYS  HN           84 GLU  HA          4.50    (#   1722:20  Unique         2.16, 2.49 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1262,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  130 LYS  HN          129 LYS  HA          4.50    (#   1723:20  Unique         2.14, 2.22 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=2007,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 GLU  HN           86 LYS  HA          4.50    (#   1724:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=1306,1286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  115 LEU  HN          114 LYS  HA          3.50    (#   1725:20  Unique         2.14, 2.28 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=1740,1720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  114 LYS  HN          114 LYS  HA          4.50    (#   1726:20  Unique         2.77, 2.91 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=1718,1720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 GLU  HN           30 GLU  HA          4.50    (#   1727:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 1727, nxpk= 20, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 THR  HN           30 GLU  HA          4.50    (#   1728:20  Unique         3.53, 3.54 A)
 &rst
  ixpk= 1728, nxpk= 20, iat= 440, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1729     0 AMB  20-1:1729   3.50    (#   1729:20  Double Ambig)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1392,1284,1262,
 igr2=1370,1264,
 &end
#
#   63 LEU  HN           63 LEU  HA          7.00    (#   1730:20  Unique         2.82, 2.92 A)
 &rst
  ixpk= 1730, nxpk= 20, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 LYS  HN           69 LYS  HA          4.50    (#   1731:20  Unique         2.83, 2.89 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=1018,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 GLY  HN           69 LYS  HA          4.50    (#   1732:20  Unique         3.46, 3.50 A)
 &rst
  ixpk= 1732, nxpk= 20, iat=1040,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HN           27 LEU  HA          4.50    (#   1734:20  Unique         2.88, 2.92 A)
 &rst
  ixpk= 1734, nxpk= 20, iat= 379, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ASP  HN           56 ASP  HA          4.50    (#   1736:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1736, nxpk= 20, iat= 817, 819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HN           56 ASP  HA          2.80    (#   1738:20  Unique         2.18, 2.24 A)
 &rst
  ixpk= 1738, nxpk= 20, iat= 829, 819, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  112 LYS  HN          111 LEU  HA          5.50    (#   1739:20  Unique         2.14, 2.42 A)
 &rst
  ixpk= 1739, nxpk= 20, iat=1684,1667, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  128 ILE  HN          127 LEU  HA          4.50    (#   1741:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 1741, nxpk= 20, iat=1966,1949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 TYR  HN           21 TYR  HA          4.50    (#   1742:20  Unique         2.79, 2.91 A)
 &rst
  ixpk= 1742, nxpk= 20, iat= 295, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 TYR  HD           21 TYR  HA          4.50    (#   1743:20  Unique         2.50, 3.61 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 303, 312,
 &end
#
#  114 LYS  HN          113 ASP  HA          4.50    (#   1744:20  Unique         2.14, 2.42 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=1718,1708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 GLN  HN           80 GLN  HA          4.50    (#   1745:20  Unique         2.83, 2.92 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=1196,1198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ALA  HN           80 GLN  HA          3.50    (#   1746:20  Unique         2.17, 2.49 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=1213,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 VAL  HN           39 GLU  HA          5.50    (#   1747:20  Unique         2.85, 3.21 A)
 &rst
  ixpk= 1747, nxpk= 20, iat= 575, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  127 LEU  HN          126 ASP  HA          5.50    (#   1751:20  Unique         2.14, 2.40 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=1947,1937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ASP  HN           28 ASP  HA          4.50    (#   1755:20  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1755, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 GLU  HN           28 ASP  HA          4.50    (#   1756:20  Unique         2.76, 2.89 A)
 &rst
  ixpk= 1756, nxpk= 20, iat= 410, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1757    78 ALA  HA          4.50    (#   1757:20  Single Ambig)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1172,1223,
 &end
#
#   19 GLN  HN           19 GLN  HA          4.50    (#   1758:20  Unique         2.86, 2.92 A)
 &rst
  ixpk= 1758, nxpk= 20, iat= 268, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ALA  HN           19 GLN  HA          4.50    (#   1759:20  Unique         2.28, 2.58 A)
 &rst
  ixpk= 1759, nxpk= 20, iat= 285, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ALA  HN           64 ALA  HA          4.50    (#   1760:20  Unique         2.80, 2.88 A)
 &rst
  ixpk= 1760, nxpk= 20, iat= 950, 952, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  HN           64 ALA  HA          2.80    (#   1761:20  Unique         2.17, 2.26 A)
 &rst
  ixpk= 1761, nxpk= 20, iat= 960, 952, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-3:1762     0 AMB  20-1:1762   3.50    (#   1762:20  Double Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1223,1470,1460,1450,
 igr2=1215,1462,1452,
 &end
#
#    4 LYS  HN            3 ALA  HA          3.50    (#   1763:20  Unique         2.14, 2.26 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  41,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 GLY  HN           70 GLY  HA+         3.50    (#   1765:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1042,1043,
 &end
#
#   71 LYS  HN           70 GLY  HA+         4.50    (#   1766:20  Unique         2.55, 3.18 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1042,1043,
 &end
#
#   70 GLY  HN           70 GLY  HA-         4.50    (#   1767:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1042,1043,
 &end
#
#   23 ALA  HN           22 GLY  HA+         4.50    (#   1769:20  Unique         2.16, 2.58 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   17 GLY  HN           17 GLY  HA+         4.50    (#   1770:20  Unique         2.62, 2.80 A)
 &rst
  ixpk= 1770, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 244, 245,
 &end
#
#   22 GLY  HN           22 GLY  HA-         4.50    (#   1771:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 1771, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   23 ALA  HN           22 GLY  HA-         4.50    (#   1772:20  Unique         2.16, 2.58 A)
 &rst
  ixpk= 1772, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   18 LEU  HN           17 GLY  HA+         3.50    (#   1773:20  Unique         2.14, 2.64 A)
 &rst
  ixpk= 1773, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 244, 245,
 &end
#
#   17 GLY  HN           17 GLY  HA-         4.50    (#   1774:20  Unique         2.62, 2.80 A)
 &rst
  ixpk= 1774, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 244, 245,
 &end
#
#   18 LEU  HN           17 GLY  HA-         4.50    (#   1775:20  Unique         2.14, 2.64 A)
 &rst
  ixpk= 1775, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 244, 245,
 &end
#
#    8 GLY  HN            8 GLY  HA+         4.50    (#   1776:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 1776, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 116, 117,
 &end
#
#    8 GLY  HN            8 GLY  HA+         4.50    (#   1777:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 1777, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 116, 117,
 &end
#
#    8 GLY  HN            8 GLY  HA-         4.50    (#   1778:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 1778, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 116, 117,
 &end
#
#   55 GLY  HN           55 GLY  HA+         4.50    (#   1779:20  Unique         2.29, 2.59 A)
 &rst
  ixpk= 1779, nxpk= 20, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 812, 813,
 &end
#
#   56 ASP  HN           55 GLY  HA+         7.00    (#   1780:20  Unique         2.95, 3.25 A)
 &rst
  ixpk= 1780, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 812, 813,
 &end
#
#   55 GLY  HN           55 GLY  HA-         4.50    (#   1781:20  Unique         2.29, 2.59 A)
 &rst
  ixpk= 1781, nxpk= 20, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 812, 813,
 &end
#
#   34 LEU  HN           33 GLY  HA-         4.50    (#   1782:20  Unique         2.33, 2.57 A)
 &rst
  ixpk= 1782, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 473, 474,
 &end
#
#   34 LEU  HA           33 GLY  HA-         4.50    (#   1783:20  Unique         4.33, 4.44 A)
 &rst
  ixpk= 1783, nxpk= 20, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 473, 474,
 &end
#
#    0 AMB  20-3:1784    33 GLY  HA-         4.50    (#   1784:20  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471,1069,
 igr2= 473, 474,
 &end
#
#    0 AMB  20-3:1786     0 AMB  20-1:1786   3.50    (#   1786:20  Double Ambig)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 629, 622,
 igr2= 624, 625, 624, 625, 624, 625,
 &end
#
#   13 GLY  HN           13 GLY  HA-         4.50    (#   1787:20  Unique         2.51, 2.78 A)
 &rst
  ixpk= 1787, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 185, 186,
 &end
#
#   14 LYS  HN           13 GLY  HA-         4.50    (#   1788:20  Unique         2.14, 2.59 A)
 &rst
  ixpk= 1788, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 185, 186,
 &end
#
#   13 GLY  HN           13 GLY  HA-         4.50    (#   1789:20  Unique         2.51, 2.78 A)
 &rst
  ixpk= 1789, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 185, 186,
 &end
#
#   12 THR  HN           11 TYR  HB+         4.50    (#   1790:20  Unique         2.12, 3.33 A)
 &rst
  ixpk= 1790, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 152, 153,
 &end
#
#   11 TYR  HD           11 TYR  HB+         3.50    (#   1791:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 165,
 igr2= 152, 153,
 &end
#
#   11 TYR  HN           11 TYR  HB+         4.50    (#   1792:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 1792, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 152, 153,
 &end
#
#   45 VAL  HN           44 PHE  HB-         7.00    (#   1793:20  Unique         3.02, 3.91 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 633, 634,
 &end
#
#   29 GLU  HN           28 ASP  HB+         4.50    (#   1794:20  Unique         4.07, 4.29 A)
 &rst
  ixpk= 1794, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 402, 403,
 &end
#
#   29 GLU  HN           28 ASP  HB-         4.50    (#   1795:20  Unique         4.07, 4.29 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 402, 403,
 &end
#
#   44 PHE  HD           44 PHE  HB-         4.50    (#   1796:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 637, 645,
 igr2= 633, 634,
 &end
#
#   44 PHE  HN           44 PHE  HB-         7.00    (#   1797:20  Unique         2.32, 3.05 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 633, 634,
 &end
#
#   21 TYR  HD           21 TYR  HB+         3.50    (#   1798:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 303, 312,
 igr2= 299, 300,
 &end
#
#    0 AMB  20-3:1799    12 THR  HB          4.50    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 171, 862,
 &end
#
#   12 THR  HN           12 THR  HB          3.50    (#   1800:20  Unique         2.66, 2.83 A)
 &rst
  ixpk= 1800, nxpk= 20, iat= 169, 173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HN           31 THR  HB          4.50    (#   1802:20  Unique         2.47, 2.66 A)
 &rst
  ixpk= 1802, nxpk= 20, iat= 440, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASP  HN           31 THR  HB          4.50    (#   1803:20  Unique         3.52, 4.12 A)
 &rst
  ixpk= 1803, nxpk= 20, iat= 398, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:1804    31 THR  HB          7.00    (#   1804:20  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  71,  79, 341, 349,
 &end
#
#    0 AMB  20-3:1805    40 VAL  HA          4.50    (#   1805:20  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1129, 575,
 &end
#
#   55 GLY  HN           54 VAL  HA          3.50    (#   1806:20  Unique         2.17, 2.23 A)
 &rst
  ixpk= 1806, nxpk= 20, iat= 810, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 VAL  HN           54 VAL  HA          4.50    (#   1807:20  Unique         2.80, 2.84 A)
 &rst
  ixpk= 1807, nxpk= 20, iat= 794, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ASP  HN           54 VAL  HA          7.00    (#   1808:20  Unique         3.24, 3.35 A)
 &rst
  ixpk= 1808, nxpk= 20, iat= 817, 796, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 PHE  HD            9 SER  HB+         3.50    (#   1809:20  Unique         2.28, 4.64 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  71,  79,
 igr2= 125, 126,
 &end
#
#   15 VAL  HN           53 SER  HB+         7.00    (#   1811:20  Unique         6.09, 7.31 A)
 &rst
  ixpk= 1811, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 787, 788,
 &end
#
#   54 VAL  HN           53 SER  HB+         4.50    (#   1813:20  Unique         2.88, 3.81 A)
 &rst
  ixpk= 1813, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#   53 SER  HN           53 SER  HB+         4.50    (#   1814:20  Unique         2.34, 3.09 A)
 &rst
  ixpk= 1814, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#    9 SER  HN            9 SER  HB-         4.50    (#   1815:20  Unique         2.41, 3.15 A)
 &rst
  ixpk= 1815, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 125, 126,
 &end
#
#    5 PHE  HD            9 SER  HB-         4.50    (#   1816:20  Unique         2.28, 4.64 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  79,
 igr2= 125, 126,
 &end
#
#   54 VAL  HN           53 SER  HB-         4.50    (#   1817:20  Unique         2.88, 3.81 A)
 &rst
  ixpk= 1817, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#   53 SER  HN           53 SER  HB-         4.50    (#   1818:20  Unique         2.34, 3.09 A)
 &rst
  ixpk= 1818, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#    0 AMB  20-3:1819    51 HIS  HB-         5.50    (#   1819:20  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 764, 747,
 igr2= 751, 752,
 &end
#
#    9 SER  HN            7 VAL  HA          4.50    (#   1820:20  Unique         3.19, 3.38 A)
 &rst
  ixpk= 1820, nxpk= 20, iat= 121, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 VAL  HN            7 VAL  HA          4.50    (#   1822:20  Unique         2.75, 2.82 A)
 &rst
  ixpk= 1822, nxpk= 20, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 SER  HA           75 SER  HB+         4.50    (#   1823:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1823, nxpk= 20, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1122,1123,
 &end
#
#   75 SER  HA           75 SER  HB-         5.50    (#   1824:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#   75 SER  HN           75 SER  HB-         5.50    (#   1825:20  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#   73 SER  HN           73 SER  HB+         4.50    (#   1826:20  Unique         2.38, 3.14 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1092,1093,
 &end
#
#   74 LEU  HN           73 SER  HB+         4.50    (#   1827:20  Unique         3.03, 3.96 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1092,1093,
 &end
#
#   64 ALA  HN           73 SER  HB+         4.50    (#   1828:20  Unique         2.92, 4.51 A)
 &rst
  ixpk= 1828, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1092,1093,
 &end
#
#   73 SER  HA           73 SER  HB+         3.50    (#   1829:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1092,1093,
 &end
#
#   64 ALA  HN           73 SER  HB-         4.50    (#   1831:20  Unique         2.92, 4.51 A)
 &rst
  ixpk= 1831, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1092,1093,
 &end
#
#   73 SER  HA           73 SER  HB-         4.50    (#   1832:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1092,1093,
 &end
#
#   73 SER  HN           73 SER  HB-         4.50    (#   1833:20  Unique         2.38, 3.14 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1092,1093,
 &end
#
#   36 HIS  HN           36 HIS  HB+         4.50    (#   1834:20  Unique         2.10, 2.75 A)
 &rst
  ixpk= 1834, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 517, 518,
 &end
#
#   15 VAL  HN           15 VAL  HA          4.50    (#   1835:20  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1835, nxpk= 20, iat= 212, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 THR  HN           15 VAL  HA          3.50    (#   1836:20  Unique         2.14, 2.22 A)
 &rst
  ixpk= 1836, nxpk= 20, iat= 228, 214, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 SER  HN            0 AMB  20-1:1837   4.50    (#   1837:20  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 20, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 553, 554, 553, 554,
 &end
#
#   41 THR  HN            0 AMB  20-1:1838   7.00    (#   1838:20  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 20, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 553, 554, 553, 554,
 &end
#
#   32 GLN  HN           31 THR  HA          3.50    (#   1840:20  Unique         2.15, 2.26 A)
 &rst
  ixpk= 1840, nxpk= 20, iat= 454, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HN           31 THR  HA          4.50    (#   1841:20  Unique         2.89, 2.94 A)
 &rst
  ixpk= 1841, nxpk= 20, iat= 440, 442, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 ARG  HN           90 PRO  HA          4.50    (#   1842:20  Unique         2.16, 2.53 A)
 &rst
  ixpk= 1842, nxpk= 20, iat=1368,1364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 GLU  HN           83 PRO  HA          4.50    (#   1843:20  Unique         2.15, 2.79 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=1247,1243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LEU  HN           62 VAL  HA          4.50    (#   1844:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 1844, nxpk= 20, iat= 931, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  HA           62 VAL  HA          4.50    (#   1845:20  Unique         2.24, 2.58 A)
 &rst
  ixpk= 1845, nxpk= 20, iat=1101, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  111 LEU  HN          110 THR  HA          4.50    (#   1848:20  Unique         2.14, 2.57 A)
 &rst
  ixpk= 1848, nxpk= 20, iat=1665,1653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 ILE  HN          119 ILE  HA          5.50    (#   1850:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=1813,1815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 THR  HN           16 THR  HA          4.50    (#   1852:20  Unique         2.91, 2.94 A)
 &rst
  ixpk= 1852, nxpk= 20, iat= 228, 230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 GLY  HN           16 THR  HA          7.00    (#   1853:20  Unique         3.47, 3.50 A)
 &rst
  ixpk= 1853, nxpk= 20, iat= 242, 230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   73 SER  HN           65 VAL  HA          7.00    (#   1855:20  Unique         2.90, 3.35 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=1088, 962, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-3:1856    65 VAL  HA          2.80    (#   1856:20  Single Ambig)
 &rst
  ixpk= 1856, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 976, 960,
 &end
#
#  118 TRP  HN            0 AMB  20-1:1857   4.50    (#   1857:20  Single Ambig)
 &rst
  ixpk= 1857, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1793,1794,1793,1794,
 &end
#
#   73 SER  HN           72 ILE  HA          3.50    (#   1858:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=1088,1071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 ASP  HN           72 ILE  HA          5.50    (#   1859:20  Unique         2.73, 3.46 A)
 &rst
  ixpk= 1859, nxpk= 20, iat= 976,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 VAL  HN           45 VAL  HA          4.50    (#   1860:20  Unique         2.88, 2.94 A)
 &rst
  ixpk= 1860, nxpk= 20, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 TRP  HE3           0 AMB  20-1:1862   4.50    (#   1862:20  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 20, iat=1808,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1793,1794,1793,1794,
 &end
#
#  118 TRP  HD1           0 AMB  20-1:1863   4.50    (#   1863:20  Single Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=1797,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1793,1794,1793,1794,
 &end
#
#  129 LYS  HN          128 ILE  HA          5.50    (#   1864:20  Unique         2.16, 2.22 A)
 &rst
  ixpk= 1864, nxpk= 20, iat=1985,1968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 SER  HN           38 SER  HA          4.50    (#   1865:20  Unique         2.82, 2.87 A)
 &rst
  ixpk= 1865, nxpk= 20, iat= 549, 551, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 ILE  HN          119 ILE  HG1+        7.00    (#   1866:20  Unique         2.26, 3.83 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=1813,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1823,1824,
 &end
#
#   27 LEU  HN           27 LEU  HG          5.50    (#   1870:20  Unique         2.19, 2.64 A)
 &rst
  ixpk= 1870, nxpk= 20, iat= 379, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 VAL  HN           18 LEU  MDY         4.50    (#   1871:20  Unique         2.00, 4.56 A)
 &rst
  ixpk= 1871, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   49 ASN  HN           18 LEU  MDY         7.00    (#   1872:20  Unique         2.76, 5.52 A)
 &rst
  ixpk= 1872, nxpk= 20, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   35 VAL  HN           34 LEU  MDX         4.50    (#   1873:20  Unique         1.95, 3.99 A)
 &rst
  ixpk= 1873, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HN           34 LEU  MDX         4.50    (#   1874:20  Unique         4.71, 5.53 A)
 &rst
  ixpk= 1874, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:1875    34 LEU  MDX         4.50    (#   1875:20  Single Ambig)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 280, 281, 316,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   21 TYR  HD           34 LEU  MDX         4.50    (#   1876:20  Unique         3.47, 8.46 A)
 &rst
  ixpk= 1876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 303, 312,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   19 GLN  HE2-         34 LEU  MDX         4.50    (#   1877:20  Unique         4.72, 9.95 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 280, 281,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HA           34 LEU  MDX         3.50    (#   1878:20  Unique         2.10, 3.94 A)
 &rst
  ixpk= 1878, nxpk= 20, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   37 ILE  HN           34 LEU  MDX         4.50    (#   1879:20  Unique         4.88, 6.90 A)
 &rst
  ixpk= 1879, nxpk= 20, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   32 GLN  HE2+         34 LEU  MDX         4.50    (#   1880:20  Unique         8.30,11.65 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 466, 467,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   24 PHE  HA           34 LEU  MDX         4.50    (#   1881:20  Unique         2.34, 5.55 A)
 &rst
  ixpk= 1881, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:1882    74 LEU  MDY         4.50    (#   1882:20  Single Ambig)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 353, 471, 893,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HN           74 LEU  MDY         7.00    (#   1883:20  Unique         2.93, 4.46 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   34 LEU  HN           74 LEU  MDY         7.00    (#   1884:20  Unique         2.31, 4.45 A)
 &rst
  ixpk= 1884, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HA           74 LEU  MDY         5.50    (#   1885:20  Unique         2.24, 4.01 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#    0 AMB  20-3:1886    74 LEU  MDY         4.50    (#   1886:20  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 480, 879,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   63 LEU  HN           63 LEU  MDY         4.50    (#   1887:20  Unique         1.95, 3.87 A)
 &rst
  ixpk= 1887, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   23 ALA  HN           34 LEU  MDX         4.50    (#   1888:20  Unique         2.71, 5.94 A)
 &rst
  ixpk= 1888, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   64 ALA  HN           63 LEU  MDY         4.50    (#   1889:20  Unique         2.40, 4.59 A)
 &rst
  ixpk= 1889, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   74 LEU  HA           63 LEU  MDY         4.50    (#   1890:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 1890, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   75 SER  HA           63 LEU  MDY         4.50    (#   1891:20  Unique         3.41, 5.36 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   53 SER  HN           18 LEU  MDX         7.00    (#   1897:20  Unique         3.58, 5.55 A)
 &rst
  ixpk= 1897, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#    0 AMB  20-3:1898    18 LEU  MDX         4.50    (#   1898:20  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 249, 794,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   19 GLN  HN           18 LEU  MDX         4.50    (#   1899:20  Unique         1.96, 5.14 A)
 &rst
  ixpk= 1899, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#    0 AMB  20-3:1900    18 LEU  MDX         4.50    (#   1900:20  Single Ambig)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 764, 242,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   23 ALA  HA           18 LEU  MDX         3.50    (#   1901:20  Unique         2.47, 5.47 A)
 &rst
  ixpk= 1901, nxpk= 20, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   14 LYS  HA           14 LYS  HG+         4.50    (#   1903:20  Unique         2.27, 2.95 A)
 &rst
  ixpk= 1903, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 197, 198,
 &end
#
#   57 GLU  HA           14 LYS  HG-         4.50    (#   1904:20  Unique         2.00, 3.09 A)
 &rst
  ixpk= 1904, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 197, 198,
 &end
#
#   33 GLY  HN           27 LEU  MDX         4.50    (#   1909:20  Unique         2.67, 5.14 A)
 &rst
  ixpk= 1909, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  HN           27 LEU  MDX         4.50    (#   1910:20  Unique         3.02, 4.52 A)
 &rst
  ixpk= 1910, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   14 LYS  HA           14 LYS  HG-         4.50    (#   1913:20  Unique         2.27, 2.95 A)
 &rst
  ixpk= 1913, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 197, 198,
 &end
#
#    0 AMB  20-3:1915    74 LEU  MDX         5.50    (#   1915:20  Single Ambig)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1090, 895, 335,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#    5 PHE  HD           27 LEU  MDX         5.50    (#   1916:20  Unique         4.31, 8.34 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  71,  79,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   32 GLN  HA           27 LEU  MDX         5.50    (#   1917:20  Unique         3.64, 5.50 A)
 &rst
  ixpk= 1917, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   11 TYR  HD           27 LEU  MDX         5.50    (#   1918:20  Unique         2.00, 4.80 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 156, 165,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   40 VAL  HN           40 VAL  MGX         3.50    (#   1923:20  Unique         2.26, 3.93 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#    0 AMB  20-3:1925    74 LEU  MDX         4.50    (#   1925:20  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 353, 471,1118,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HN           74 LEU  MDX         5.50    (#   1926:20  Unique         2.93, 4.46 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#    0 AMB  20-3:1927    74 LEU  MDX         4.50    (#   1927:20  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 480, 879,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   63 LEU  HN           74 LEU  MDX         4.50    (#   1928:20  Unique         3.39, 6.06 A)
 &rst
  ixpk= 1928, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   74 LEU  HA           74 LEU  MDX         3.50    (#   1929:20  Unique         2.24, 4.01 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1108,1109,1110,1112,1113,1114,
 &end
#
#   60 VAL  HN           60 VAL  MGY         4.50    (#   1930:20  Unique         2.07, 3.49 A)
 &rst
  ixpk= 1930, nxpk= 20, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:1931    60 VAL  MGY         2.80    (#   1931:20  Single Ambig)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 879, 171, 862,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   53 SER  HN           52 LEU  MDX         4.50    (#   1933:20  Unique         2.95, 5.04 A)
 &rst
  ixpk= 1933, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#   52 LEU  HN           52 LEU  MDX         5.50    (#   1934:20  Unique         3.52, 4.82 A)
 &rst
  ixpk= 1934, nxpk= 20, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#    0 AMB  20-3:1943     7 VAL  MGX         2.80    (#   1943:20  Single Ambig)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  98, 960,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#   16 THR  HN           16 THR  MG2         3.50    (#   1945:20  Unique         1.96, 4.26 A)
 &rst
  ixpk= 1945, nxpk= 20, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 234, 235, 236,
 &end
#
#   17 GLY  HN           16 THR  MG2         4.50    (#   1946:20  Unique         2.12, 4.61 A)
 &rst
  ixpk= 1946, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 234, 235, 236,
 &end
#
#    0 AMB  20-3:1947     0 AMB  20-1:1947   4.50    (#   1947:20  Double Ambig)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 114, 228,
 igr2= 104, 105, 106, 108, 109, 110, 218, 219, 220, 222,
       223, 224,
 &end
#
#   64 ALA  HN            7 VAL  MGX         4.50    (#   1948:20  Unique         3.08, 5.75 A)
 &rst
  ixpk= 1948, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#   15 VAL  HN           15 VAL  MGY         3.50    (#   1949:20  Unique         1.96, 3.69 A)
 &rst
  ixpk= 1949, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:1950     0 AMB  20-1:1950   4.50    (#   1950:20  Double Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 810, 931,
 igr2= 218, 219, 220, 222, 223, 224, 104, 105, 106, 108,
       109, 110,
 &end
#
#   14 LYS  HA           15 VAL  MGY         7.00    (#   1952:20  Unique         3.62, 5.59 A)
 &rst
  ixpk= 1952, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   56 ASP  HN           15 VAL  MGY         4.50    (#   1953:20  Unique         2.73, 4.52 A)
 &rst
  ixpk= 1953, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:1954    15 VAL  MGY         4.50    (#   1954:20  Single Ambig)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 831, 335,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   27 LEU  HN           16 THR  MG2         7.00    (#   1955:20  Unique         6.17, 8.39 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 234, 235, 236,
 &end
#
#   24 PHE  HN           23 ALA  MB          3.50    (#   1956:20  Unique         2.43, 3.49 A)
 &rst
  ixpk= 1956, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 327, 328, 329,
 &end
#
#   23 ALA  HA           23 ALA  MB          2.80    (#   1957:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 327, 328, 329,
 &end
#
#   17 GLY  HN           54 VAL  MGY         5.50    (#   1958:20  Unique         3.02, 5.01 A)
 &rst
  ixpk= 1958, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   61 LYS  HN           79 THR  MG2         4.50    (#   1965:20  Unique         2.63, 4.32 A)
 &rst
  ixpk= 1965, nxpk= 20, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1188,1189,1190,
 &end
#
#   79 THR  HN           79 THR  MG2         4.50    (#   1966:20  Unique         1.96, 2.93 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1188,1189,1190,
 &end
#
#   60 VAL  HA           79 THR  MG2         2.80    (#   1967:20  Unique         2.16, 3.96 A)
 &rst
  ixpk= 1967, nxpk= 20, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1188,1189,1190,
 &end
#
#   55 GLY  HN           54 VAL  MGY         4.50    (#   1968:20  Unique         1.95, 3.89 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#    0 AMB  20-3:1969    54 VAL  MGY         2.80    (#   1969:20  Single Ambig)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 794, 249,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   55 GLY  HN           15 VAL  MGX         4.50    (#   1970:20  Unique         2.72, 4.43 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   56 ASP  HN           15 VAL  MGX         4.50    (#   1971:20  Unique         2.73, 4.52 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   17 GLY  HN           15 VAL  MGX         3.50    (#   1972:20  Unique         2.03, 4.49 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:1973    58 VAL  MGY         4.50    (#   1973:20  Single Ambig)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 212, 183,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   58 VAL  HN           58 VAL  MGY         4.50    (#   1974:20  Unique         1.95, 3.70 A)
 &rst
  ixpk= 1974, nxpk= 20, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   59 GLN  HN           58 VAL  MGY         4.50    (#   1975:20  Unique         2.00, 4.20 A)
 &rst
  ixpk= 1975, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   14 LYS  HA           58 VAL  MGY         5.50    (#   1976:20  Unique         2.54, 5.47 A)
 &rst
  ixpk= 1976, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   16 THR  HN           15 VAL  MGX         3.50    (#   1979:20  Unique         2.05, 3.99 A)
 &rst
  ixpk= 1979, nxpk= 20, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   15 VAL  HN           15 VAL  MGX         4.50    (#   1980:20  Unique         1.96, 3.69 A)
 &rst
  ixpk= 1980, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:1981    15 VAL  MGX         4.50    (#   1981:20  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 333, 844, 794, 249,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  20-3:1982     0 AMB  20-1:1982   4.50    (#   1982:20  Double Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 497, 114,
 igr2= 503, 504, 505, 507, 508, 509, 921, 922, 923, 925,
       926, 927,
 &end
#
#   63 LEU  HN           62 VAL  MGX         4.50    (#   1983:20  Unique         2.15, 4.11 A)
 &rst
  ixpk= 1983, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   23 ALA  HN           35 VAL  MGX         5.50    (#   1984:20  Unique         1.94, 4.21 A)
 &rst
  ixpk= 1984, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 503, 504, 505, 507, 508, 509,
 &end
#
#   62 VAL  HN           62 VAL  MGX         7.00    (#   1985:20  Unique         1.94, 3.83 A)
 &rst
  ixpk= 1985, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   64 ALA  HN           62 VAL  MGX         4.50    (#   1986:20  Unique         2.02, 4.34 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  20-3:1987     0 AMB  20-1:1987   5.50    (#   1987:20  Double Ambig)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=  71,  79, 341, 349,
 igr2= 921, 922, 923, 925, 926, 927, 503, 504, 505, 507,
       508, 509,
 &end
#
#   74 LEU  HA            0 AMB  20-1:1988   5.50    (#   1988:20  Single Ambig)
 &rst
  ixpk= 1988, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 921, 922, 923, 925, 926, 927, 503, 504, 505, 507,
       508, 509,
 &end
#
#    0 AMB  20-3:1989    27 LEU  MDY         4.50    (#   1989:20  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 877, 893,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  HN           27 LEU  MDY         4.50    (#   1990:20  Unique         3.02, 4.52 A)
 &rst
  ixpk= 1990, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   11 TYR  HD           27 LEU  MDY         4.50    (#   1991:20  Unique         2.00, 4.80 A)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 156, 165,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    5 PHE  HD           27 LEU  MDY         5.50    (#   1992:20  Unique         4.31, 8.34 A)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  71,  79,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:1993    27 LEU  MDY         4.50    (#   1993:20  Single Ambig)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 171, 862,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   13 GLY  HN           12 THR  MG2         3.50    (#   1994:20  Unique         2.03, 3.65 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 175, 176, 177,
 &end
#
#   60 VAL  HN           12 THR  MG2         4.50    (#   1995:20  Unique         4.28, 6.48 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:1996    12 THR  MG2         4.50    (#   1996:20  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 169,
 igr2= 175, 176, 177,
 &end
#
#   14 LYS  HN           12 THR  MG2         5.50    (#   1997:20  Unique         4.52, 6.82 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:2000    12 THR  MG2         2.80    (#   2000:20  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 862, 171,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:2010    31 THR  MG2         4.50    (#   2010:20  Single Ambig)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 454, 471,
 igr2= 446, 447, 448,
 &end
#
#   28 ASP  HN           31 THR  MG2         4.50    (#   2011:20  Unique         5.33, 6.39 A)
 &rst
  ixpk= 2011, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 446, 447, 448,
 &end
#
#   31 THR  HN           31 THR  MG2         4.50    (#   2012:20  Unique         4.40, 4.66 A)
 &rst
  ixpk= 2012, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 446, 447, 448,
 &end
#
#    0 AMB  20-3:2013    31 THR  MG2         3.50    (#   2013:20  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  71,  79, 341, 349,
 igr2= 446, 447, 448,
 &end
#
#   32 GLN  HA           31 THR  MG2         4.50    (#   2015:20  Unique         4.22, 5.18 A)
 &rst
  ixpk= 2015, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 446, 447, 448,
 &end
#
#   62 VAL  HN            0 AMB  20-1:2017   4.50    (#   2017:20  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   10 VAL  HN            0 AMB  20-1:2018   3.50    (#   2018:20  Single Ambig)
 &rst
  ixpk= 2018, nxpk= 20, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   26 ALA  HN           25 VAL  MGX         4.50    (#   2019:20  Unique         1.94, 3.99 A)
 &rst
  ixpk= 2019, nxpk= 20, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  HN           25 VAL  MGX         4.50    (#   2020:20  Unique         2.58, 4.18 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:2021    25 VAL  MGX         4.50    (#   2021:20  Single Ambig)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 335, 831,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   34 LEU  HA           25 VAL  MGX         4.50    (#   2022:20  Unique         3.71, 6.74 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   35 VAL  HN           34 LEU  MDY         4.50    (#   2023:20  Unique         1.95, 3.99 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:2024    34 LEU  MDY         4.50    (#   2024:20  Single Ambig)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 333, 353,1069,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   23 ALA  HN           34 LEU  MDY         4.50    (#   2025:20  Unique         2.71, 5.94 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HN           34 LEU  MDY         5.50    (#   2026:20  Unique         4.71, 5.53 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:2027    34 LEU  MDY         4.50    (#   2027:20  Single Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 280, 281, 316,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   21 TYR  HD           34 LEU  MDY         4.50    (#   2028:20  Unique         3.47, 8.46 A)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 303, 312,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   19 GLN  HE2-         34 LEU  MDY         5.50    (#   2029:20  Unique         4.72, 9.95 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 280, 281,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   34 LEU  HA           34 LEU  MDY         2.80    (#   2030:20  Unique         2.10, 3.94 A)
 &rst
  ixpk= 2030, nxpk= 20, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   32 GLN  HE2+         34 LEU  MDY         4.50    (#   2031:20  Unique         8.30,11.65 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 466, 467,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   24 PHE  HA           34 LEU  MDY         4.50    (#   2032:20  Unique         2.34, 5.55 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#   73 SER  HN           64 ALA  MB          4.50    (#   2033:20  Unique         4.37, 5.66 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 954, 955, 956,
 &end
#
#   65 VAL  HN           64 ALA  MB          3.50    (#   2034:20  Unique         2.18, 3.60 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 954, 955, 956,
 &end
#
#   64 ALA  HN           64 ALA  MB          4.50    (#   2035:20  Unique         2.79, 3.46 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 954, 955, 956,
 &end
#
#   62 VAL  HN           62 VAL  MGY         3.50    (#   2039:20  Unique         1.94, 3.83 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    9 SER  HN           62 VAL  MGY         4.50    (#   2040:20  Unique         2.83, 5.89 A)
 &rst
  ixpk= 2040, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   11 TYR  HD           62 VAL  MGY         3.50    (#   2041:20  Unique         2.07, 6.99 A)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 156, 165,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#    5 PHE  HD           62 VAL  MGY         2.80    (#   2042:20  Unique         4.10, 8.48 A)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  71,  79,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   74 LEU  HA           62 VAL  MGY         4.50    (#   2044:20  Unique         3.29, 5.31 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 921, 922, 923, 925, 926, 927,
 &end
#
#   61 LYS  HA            0 AMB  20-1:2045   2.80    (#   2045:20  Single Ambig)
 &rst
  ixpk= 2045, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    8 GLY  HN            7 VAL  MGY         3.50    (#   2046:20  Unique         2.02, 4.39 A)
 &rst
  ixpk= 2046, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#    7 VAL  HN            7 VAL  MGY         3.50    (#   2047:20  Unique         1.94, 3.41 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 104, 105, 106, 108, 109, 110,
 &end
#
#   55 GLY  HN           54 VAL  MGX         3.50    (#   2048:20  Unique         1.95, 3.89 A)
 &rst
  ixpk= 2048, nxpk= 20, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   54 VAL  HN           54 VAL  MGX         4.50    (#   2049:20  Unique         1.96, 3.76 A)
 &rst
  ixpk= 2049, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   56 ASP  HN           54 VAL  MGX         5.50    (#   2050:20  Unique         4.36, 5.74 A)
 &rst
  ixpk= 2050, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#    0 AMB  20-3:2051     0 AMB  20-1:2051   4.50    (#   2051:20  Double Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 242, 950,
 igr2= 800, 801, 802, 804, 805, 806, 104, 105, 106, 108,
       109, 110,
 &end
#
#   75 SER  HN           63 LEU  MDX         7.00    (#   2053:20  Unique         2.05, 4.62 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   74 LEU  HA           63 LEU  MDX         7.00    (#   2054:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   63 LEU  HN           63 LEU  MDX         4.50    (#   2055:20  Unique         1.95, 3.87 A)
 &rst
  ixpk= 2055, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   75 SER  HA           63 LEU  MDX         5.50    (#   2056:20  Unique         3.41, 5.36 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#   41 THR  HN           40 VAL  MGY         4.50    (#   2057:20  Unique         3.80, 4.74 A)
 &rst
  ixpk= 2057, nxpk= 20, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   21 TYR  HD           40 VAL  MGY         7.00    (#   2058:20  Unique         7.28,11.73 A)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 303, 312,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   40 VAL  HN           40 VAL  MGY         4.50    (#   2059:20  Unique         2.26, 3.93 A)
 &rst
  ixpk= 2059, nxpk= 20, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   45 VAL  HN           45 VAL  MGY         4.50    (#   2061:20  Unique         1.95, 3.90 A)
 &rst
  ixpk= 2061, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   45 VAL  HN           45 VAL  MGX         4.50    (#   2063:20  Unique         1.95, 3.90 A)
 &rst
  ixpk= 2063, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   47 ASP  HN           45 VAL  MGY         5.50    (#   2066:20  Unique         1.99, 4.52 A)
 &rst
  ixpk= 2066, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:2067    25 VAL  MGY         4.50    (#   2067:20  Single Ambig)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 183, 212,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:2068     0 AMB  20-1:2068   4.50    (#   2068:20  Double Ambig)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 665, 353,
 igr2= 655, 656, 657, 659, 660, 661, 359, 360, 361, 363,
       364, 365,
 &end
#
#   14 LYS  HA           25 VAL  MGY         4.50    (#   2069:20  Unique         3.32, 5.16 A)
 &rst
  ixpk= 2069, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:2070    25 VAL  MGY         4.50    (#   2070:20  Single Ambig)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 335, 831,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   26 ALA  HN           25 VAL  MGY         4.50    (#   2071:20  Unique         1.94, 3.99 A)
 &rst
  ixpk= 2071, nxpk= 20, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   14 LYS  HN           25 VAL  MGY         3.50    (#   2072:20  Unique         2.09, 4.64 A)
 &rst
  ixpk= 2072, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   75 SER  HA           35 VAL  MGY         7.00    (#   2073:20  Unique         2.37, 5.48 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 503, 504, 505, 507, 508, 509,
 &end
#
#    0 AMB  20-3:2074     0 AMB  20-1:2074   3.50    (#   2074:20  Double Ambig)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 960, 976,
 igr2= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#   61 LYS  HN           78 ALA  MB          4.50    (#   2075:20  Unique         4.33, 6.44 A)
 &rst
  ixpk= 2075, nxpk= 20, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1176,1177,1178,
 &end
#
#   75 SER  HN           78 ALA  MB          4.50    (#   2076:20  Unique         3.98, 5.52 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1176,1177,1178,
 &end
#
#   78 ALA  HN           78 ALA  MB          2.80    (#   2077:20  Unique         2.13, 2.91 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1176,1177,1178,
 &end
#
#   79 THR  HN           78 ALA  MB          4.50    (#   2078:20  Unique         2.59, 3.58 A)
 &rst
  ixpk= 2078, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1176,1177,1178,
 &end
#
#   61 LYS  HA           78 ALA  MB          4.50    (#   2080:20  Unique         5.61, 7.84 A)
 &rst
  ixpk= 2080, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1176,1177,1178,
 &end
#
#    4 LYS  HN            3 ALA  MB          4.50    (#   2084:20  Unique         2.22, 3.75 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  35,  36,  37,
 &end
#
#    5 PHE  HN            3 ALA  MB          4.50    (#   2085:20  Unique         2.75, 4.29 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  35,  36,  37,
 &end
#
#    5 PHE  HD            3 ALA  MB          4.50    (#   2086:20  Unique         2.17, 7.16 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  71,  79,
 igr2=  35,  36,  37,
 &end
#
#    0 AMB  20-3:2088    26 ALA  MB          5.50    (#   2088:20  Single Ambig)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 212, 183,
 igr2= 373, 374, 375,
 &end
#
#    0 AMB  20-3:2089    26 ALA  MB          4.50    (#   2089:20  Single Ambig)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 353, 454, 471,
 igr2= 373, 374, 375,
 &end
#
#   26 ALA  HN           26 ALA  MB          3.50    (#   2090:20  Unique         2.42, 3.07 A)
 &rst
  ixpk= 2090, nxpk= 20, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 373, 374, 375,
 &end
#
#   27 LEU  HN           26 ALA  MB          4.50    (#   2091:20  Unique         2.84, 3.74 A)
 &rst
  ixpk= 2091, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 373, 374, 375,
 &end
#
#   14 LYS  HN           26 ALA  MB          4.50    (#   2093:20  Unique         3.50, 4.52 A)
 &rst
  ixpk= 2093, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 373, 374, 375,
 &end
#
#   14 LYS  HA           26 ALA  MB          5.50    (#   2094:20  Unique         5.41, 6.73 A)
 &rst
  ixpk= 2094, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 373, 374, 375,
 &end
#
#   32 GLN  HA           26 ALA  MB          4.50    (#   2095:20  Unique         3.99, 4.63 A)
 &rst
  ixpk= 2095, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 373, 374, 375,
 &end
#
#    0 AMB  20-3:2097    96 ALA  MB          4.50    (#   2097:20  Single Ambig)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1460,1470,
 igr2=1464,1465,1466,
 &end
#
#    0 AMB  20-3:2099    60 VAL  MGX         2.80    (#   2099:20  Single Ambig)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 877, 148,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   11 TYR  HD           60 VAL  MGX         4.50    (#   2100:20  Unique         1.95, 6.63 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 156, 165,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   13 GLY  HN           60 VAL  MGX         4.50    (#   2102:20  Unique         3.39, 5.91 A)
 &rst
  ixpk= 2102, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   74 LEU  HA           60 VAL  MGX         5.50    (#   2103:20  Unique         4.16, 6.60 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  20-3:2105    58 VAL  MGX         4.50    (#   2105:20  Single Ambig)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 212, 183,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   58 VAL  HN           58 VAL  MGX         3.50    (#   2106:20  Unique         1.95, 3.70 A)
 &rst
  ixpk= 2106, nxpk= 20, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   14 LYS  HA           58 VAL  MGX         4.50    (#   2107:20  Unique         2.54, 5.47 A)
 &rst
  ixpk= 2107, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   57 GLU  HA           58 VAL  MGX         4.50    (#   2108:20  Unique         3.80, 5.41 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   20 ALA  HN           20 ALA  MB          4.50    (#   2110:20  Unique         2.08, 2.98 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 289, 290, 291,
 &end
#
#   21 TYR  HD           20 ALA  MB          4.50    (#   2111:20  Unique         2.56, 5.71 A)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 303, 312,
 igr2= 289, 290, 291,
 &end
#
#   21 TYR  HN           20 ALA  MB          4.50    (#   2112:20  Unique         2.52, 3.86 A)
 &rst
  ixpk= 2112, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 289, 290, 291,
 &end
#
#   41 THR  HN           41 THR  MG2         4.50    (#   2113:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2113, nxpk= 20, iat= 591,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 597, 598, 599,
 &end
#
#   14 LYS  HN           58 VAL  MGX         4.50    (#   2114:20  Unique         4.35, 7.32 A)
 &rst
  ixpk= 2114, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:2118    72 ILE  QG2         4.50    (#   2118:20  Single Ambig)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1099, 976, 960,
 igr2=1075,1076,1077,
 &end
#
#   74 LEU  HA           72 ILE  QG2         4.50    (#   2120:20  Unique         4.41, 5.38 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1075,1076,1077,
 &end
#
#   73 SER  HA           72 ILE  QG2         5.50    (#   2121:20  Unique         3.81, 4.97 A)
 &rst
  ixpk= 2121, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1075,1076,1077,
 &end
#
#   63 LEU  HN           72 ILE  QG2         7.00    (#   2125:20  Unique         4.76, 5.92 A)
 &rst
  ixpk= 2125, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1075,1076,1077,
 &end
#
#   79 THR  HN           76 ILE  QG2         7.00    (#   2131:20  Unique         3.83, 5.25 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1135,1136,1137,
 &end
#
#   77 ARG  HN           76 ILE  QG2         4.50    (#   2132:20  Unique         3.93, 4.68 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1135,1136,1137,
 &end
#
#   76 ILE  HN           76 ILE  QG2         4.50    (#   2133:20  Unique         4.38, 4.56 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1135,1136,1137,
 &end
#
#   80 GLN  HE2-         76 ILE  QG2         5.50    (#   2134:20  Unique         1.99, 4.07 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1208,1209,
 igr2=1135,1136,1137,
 &end
#
#    0 AMB  20-3:2135    76 ILE  QG2         4.50    (#   2135:20  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 879,1120,
 igr2=1135,1136,1137,
 &end
#
#   59 GLN  HN           76 ILE  QG2         7.00    (#   2137:20  Unique         5.71, 7.22 A)
 &rst
  ixpk= 2137, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1135,1136,1137,
 &end
#
#   80 GLN  HE2+         76 ILE  QG2         5.50    (#   2138:20  Unique         1.99, 4.07 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1208,1209,
 igr2=1135,1136,1137,
 &end
#
#  119 ILE  HN          119 ILE  QG2         5.50    (#   2140:20  Unique         2.06, 3.86 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=1813,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1819,1820,1821,
 &end
#
#   52 LEU  HN           52 LEU  HB+         7.00    (#   2141:20  Unique         2.27, 3.13 A)
 &rst
  ixpk= 2141, nxpk= 20, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 768, 769,
 &end
#
#   53 SER  HN           52 LEU  HB-         7.00    (#   2142:20  Unique         2.27, 3.31 A)
 &rst
  ixpk= 2142, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 768, 769,
 &end
#
#   49 ASN  HD2+         48 ILE  QG2         7.00    (#   2143:20  Unique         2.33, 3.98 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 727, 728,
 igr2= 705, 706, 707,
 &end
#
#   48 ILE  HN           48 ILE  QG2         4.50    (#   2144:20  Unique         1.90, 2.90 A)
 &rst
  ixpk= 2144, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 705, 706, 707,
 &end
#
#   19 GLN  HN           48 ILE  QG2         4.50    (#   2145:20  Unique         3.18, 4.71 A)
 &rst
  ixpk= 2145, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 705, 706, 707,
 &end
#
#   74 LEU  HN           74 LEU  HB+         7.00    (#   2147:20  Unique         2.68, 3.26 A)
 &rst
  ixpk= 2147, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1103,1104,
 &end
#
#   74 LEU  HA           74 LEU  HB-         7.00    (#   2148:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 2148, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1103,1104,
 &end
#
#   38 SER  HN           37 ILE  QG2         4.50    (#   2149:20  Unique         1.95, 3.00 A)
 &rst
  ixpk= 2149, nxpk= 20, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:2150    37 ILE  QG2         5.50    (#   2150:20  Single Ambig)
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 649, 591,
 igr2= 536, 537, 538,
 &end
#
#   37 ILE  HN           37 ILE  QG2         3.50    (#   2151:20  Unique         1.95, 2.96 A)
 &rst
  ixpk= 2151, nxpk= 20, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 536, 537, 538,
 &end
#
#   21 TYR  HD           37 ILE  QG2         5.50    (#   2153:20  Unique         3.06, 6.48 A)
 &rst
  ixpk= 2153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 303, 312,
 igr2= 536, 537, 538,
 &end
#
#   76 ILE  HN           76 ILE  QD1         5.50    (#   2154:20  Unique         2.16, 3.75 A)
 &rst
  ixpk= 2154, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1142,1143,1144,
 &end
#
#   60 VAL  HA           76 ILE  QD1         4.50    (#   2155:20  Unique         2.74, 4.91 A)
 &rst
  ixpk= 2155, nxpk= 20, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1142,1143,1144,
 &end
#
#   48 ILE  HN           37 ILE  QD1         4.50    (#   2157:20  Unique         3.21, 5.76 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 543, 544, 545,
 &end
#
#   37 ILE  HN           37 ILE  QD1         4.50    (#   2158:20  Unique         4.53, 5.35 A)
 &rst
  ixpk= 2158, nxpk= 20, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 543, 544, 545,
 &end
#
#    0 AMB  20-3:2159    37 ILE  QD1         5.50    (#   2159:20  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 316, 637, 645,
 igr2= 543, 544, 545,
 &end
#
#   23 ALA  HA           48 ILE  QD1         4.50    (#   2161:20  Unique         3.33, 4.74 A)
 &rst
  ixpk= 2161, nxpk= 20, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 712, 713, 714,
 &end
#
#    0 AMB  20-3:2162    48 ILE  QD1         4.50    (#   2162:20  Single Ambig)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 268, 323,
 igr2= 712, 713, 714,
 &end
#
#    0 AMB  20-3:2164    72 ILE  QD1         5.50    (#   2164:20  Single Ambig)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 471, 454,
 igr2=1082,1083,1084,
 &end
#
#    5 PHE  HD           72 ILE  QD1         7.00    (#   2165:20  Unique         4.47,10.58 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  71,  79,
 igr2=1082,1083,1084,
 &end
#
#   34 LEU  HN           34 LEU  HB+         4.50    (#   2168:20  Unique         2.57, 3.09 A)
 &rst
  ixpk= 2168, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   34 LEU  HA           34 LEU  HB+         4.50    (#   2169:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 2169, nxpk= 20, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   34 LEU  HA           34 LEU  HB-         4.50    (#   2170:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 2170, nxpk= 20, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#   34 LEU  HN           34 LEU  HB-         4.50    (#   2171:20  Unique         2.57, 3.09 A)
 &rst
  ixpk= 2171, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-3:2173     0 AMB  20-1:2173   4.50    (#   2173:20  Double Ambig)
 &rst
  ixpk= 2173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 249, 285,
 igr2= 253, 254, 253, 254,
 &end
#
#   12 THR  HN           11 TYR  HB-         4.50    (#   2174:20  Unique         2.12, 3.33 A)
 &rst
  ixpk= 2174, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 152, 153,
 &end
#
#   11 TYR  HN           11 TYR  HB-         4.50    (#   2175:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 2175, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 152, 153,
 &end
#
#   11 TYR  HD           11 TYR  HB-         3.50    (#   2176:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 165,
 igr2= 152, 153,
 &end
#
#   64 ALA  HN            0 AMB  20-1:2178   5.50    (#   2178:20  Single Ambig)
 &rst
  ixpk= 2178, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 935, 936, 935, 936,
 &end
#
#    5 PHE  HD            0 AMB  20-1:2180   5.50    (#   2180:20  Single Ambig)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  71,  79,
 igr2=  54,  55,  54,  55,
 &end
#
#   71 LYS  HN           66 ASP  HB+         4.50    (#   2181:20  Unique         1.95, 2.78 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 980, 981,
 &end
#
#   66 ASP  HN           66 ASP  HB+         4.50    (#   2182:20  Unique         2.14, 2.69 A)
 &rst
  ixpk= 2182, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 980, 981,
 &end
#
#   61 LYS  HA            0 AMB  20-1:2183   4.50    (#   2183:20  Single Ambig)
 &rst
  ixpk= 2183, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 906, 907, 906, 907,
 &end
#
#   66 ASP  HN           66 ASP  HB-         4.50    (#   2184:20  Unique         2.14, 2.69 A)
 &rst
  ixpk= 2184, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 980, 981,
 &end
#
#   71 LYS  HN           66 ASP  HB-         7.00    (#   2185:20  Unique         1.95, 2.78 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 980, 981,
 &end
#
#   56 ASP  HN           56 ASP  HB+         4.50    (#   2186:20  Unique         2.42, 2.89 A)
 &rst
  ixpk= 2186, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   56 ASP  HN           56 ASP  HB-         4.50    (#   2188:20  Unique         2.42, 2.89 A)
 &rst
  ixpk= 2188, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   57 GLU  HN           56 ASP  HB-         4.50    (#   2189:20  Unique         2.81, 3.84 A)
 &rst
  ixpk= 2189, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   24 PHE  HN           24 PHE  HB+         4.50    (#   2190:20  Unique         2.14, 2.88 A)
 &rst
  ixpk= 2190, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 338,
 &end
#
#   24 PHE  HA           24 PHE  HB+         4.50    (#   2191:20  Unique         2.69, 2.84 A)
 &rst
  ixpk= 2191, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 338,
 &end
#
#   24 PHE  HD           24 PHE  HB+         4.50    (#   2192:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 341, 349,
 igr2= 337, 338,
 &end
#
#   24 PHE  HD           24 PHE  HB-         4.50    (#   2193:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 341, 349,
 igr2= 337, 338,
 &end
#
#   24 PHE  HN           24 PHE  HB-         4.50    (#   2194:20  Unique         2.14, 2.88 A)
 &rst
  ixpk= 2194, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 338,
 &end
#
#   17 GLY  HN           24 PHE  HB-         4.50    (#   2195:20  Unique         2.70, 3.64 A)
 &rst
  ixpk= 2195, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 338,
 &end
#
#   24 PHE  HA           24 PHE  HB-         4.50    (#   2196:20  Unique         2.69, 2.84 A)
 &rst
  ixpk= 2196, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 338,
 &end
#
#   72 ILE  HN           72 ILE  HB          4.50    (#   2198:20  Unique         2.57, 2.73 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=1069,1073, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  HN           44 PHE  HB+         7.00    (#   2199:20  Unique         2.32, 3.05 A)
 &rst
  ixpk= 2199, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 633, 634,
 &end
#
#   44 PHE  HD           44 PHE  HB+         4.50    (#   2200:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 637, 645,
 igr2= 633, 634,
 &end
#
#    5 PHE  HN            5 PHE  HB-         5.50    (#   2203:20  Unique         2.18, 3.00 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   77 ARG  HN           76 ILE  HB          7.00    (#   2204:20  Unique         2.51, 2.93 A)
 &rst
  ixpk= 2204, nxpk= 20, iat=1148,1133, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   76 ILE  HN           76 ILE  HB          5.50    (#   2205:20  Unique         2.49, 2.58 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=1129,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 ILE  HN           48 ILE  HB          4.50    (#   2206:20  Unique         2.48, 2.72 A)
 &rst
  ixpk= 2206, nxpk= 20, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ILE  HN           37 ILE  HB          4.50    (#   2207:20  Unique         2.44, 2.56 A)
 &rst
  ixpk= 2207, nxpk= 20, iat= 530, 534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 ASN  HD2+         49 ASN  HB+         7.00    (#   2208:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 727, 728,
 igr2= 722, 723,
 &end
#
#  119 ILE  HN          119 ILE  HB          4.50    (#   2209:20  Unique         2.45, 3.10 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=1813,1817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLN  HN           49 ASN  HB+         7.00    (#   2210:20  Unique         5.34, 7.94 A)
 &rst
  ixpk= 2210, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 722, 723,
 &end
#
#   49 ASN  HD2-         49 ASN  HB+         4.50    (#   2211:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 727, 728,
 igr2= 722, 723,
 &end
#
#   49 ASN  HD2-         49 ASN  HB-         4.50    (#   2212:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 727, 728,
 igr2= 722, 723,
 &end
#
#   19 GLN  HN           49 ASN  HB-         7.00    (#   2213:20  Unique         5.34, 7.94 A)
 &rst
  ixpk= 2213, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 722, 723,
 &end
#
#   49 ASN  HD2+         49 ASN  HB-         7.00    (#   2214:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 727, 728,
 igr2= 722, 723,
 &end
#
#  128 ILE  HN          128 ILE  HB          7.00    (#   2215:20  Unique         2.54, 3.20 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=1966,1970, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 TYR  HD           21 TYR  HB-         3.50    (#   2216:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 303, 312,
 igr2= 299, 300,
 &end
#
#   57 GLU  HN           57 GLU  HG+         5.50    (#   2217:20  Unique         4.22, 4.46 A)
 &rst
  ixpk= 2217, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 836, 837,
 &end
#
#   57 GLU  HA           57 GLU  HG+         4.50    (#   2218:20  Unique         2.25, 2.85 A)
 &rst
  ixpk= 2218, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 836, 837,
 &end
#
#   57 GLU  HA           57 GLU  HG-         4.50    (#   2219:20  Unique         2.25, 2.85 A)
 &rst
  ixpk= 2219, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 836, 837,
 &end
#
#   50 GLU  HN           50 GLU  HG+         4.50    (#   2220:20  Unique         2.07, 2.92 A)
 &rst
  ixpk= 2220, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 739, 740,
 &end
#
#   50 GLU  HN           50 GLU  HG-         4.50    (#   2221:20  Unique         2.07, 2.92 A)
 &rst
  ixpk= 2221, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 739, 740,
 &end
#
#   29 GLU  HN            0 AMB  20-1:2222   4.50    (#   2222:20  Single Ambig)
 &rst
  ixpk= 2222, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 417, 418, 417, 418,
 &end
#
#   68 GLU  HN           68 GLU  HG-         4.50    (#   2223:20  Unique         1.98, 3.15 A)
 &rst
  ixpk= 2223, nxpk= 20, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1010,1011,
 &end
#
#   15 VAL  HN            0 AMB  20-1:2229   4.50    (#   2229:20  Single Ambig)
 &rst
  ixpk= 2229, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 194, 195, 194, 195,
 &end
#
#   61 LYS  HA           61 LYS  HB+         4.50    (#   2230:20  Unique         2.32, 2.52 A)
 &rst
  ixpk= 2230, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 897, 898,
 &end
#
#   61 LYS  HA           61 LYS  HB-         4.50    (#   2231:20  Unique         2.32, 2.52 A)
 &rst
  ixpk= 2231, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 897, 898,
 &end
#
#   61 LYS  HN           60 VAL  HB          4.50    (#   2232:20  Unique         1.99, 2.59 A)
 &rst
  ixpk= 2232, nxpk= 20, iat= 893, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 LYS  HN            0 AMB  20-1:2233   4.50    (#   2233:20  Single Ambig)
 &rst
  ixpk= 2233, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 194, 195, 194, 195,
 &end
#
#   14 LYS  HA            0 AMB  20-1:2234   2.80    (#   2234:20  Single Ambig)
 &rst
  ixpk= 2234, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 194, 195, 194, 195,
 &end
#
#   15 VAL  HN            0 AMB  20-1:2235   4.50    (#   2235:20  Single Ambig)
 &rst
  ixpk= 2235, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 194, 195, 194, 195,
 &end
#
#   59 GLN  HN           58 VAL  HB          4.50    (#   2236:20  Unique         2.09, 3.40 A)
 &rst
  ixpk= 2236, nxpk= 20, iat= 860, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HA           60 VAL  HB          4.50    (#   2237:20  Unique         2.39, 2.43 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:2238    25 VAL  HB          4.50    (#   2238:20  Single Ambig)
 &rst
  ixpk= 2238, nxpk= 20, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 353, 471,
 &end
#
#    0 AMB  20-3:2239    65 VAL  HB          4.50    (#   2239:20  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 960,  98,
 &end
#
#   71 LYS  HN           71 LYS  HB+         4.50    (#   2240:20  Unique         2.28, 2.89 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1051,1052,
 &end
#
#   71 LYS  HN           71 LYS  HB-         4.50    (#   2241:20  Unique         2.28, 2.89 A)
 &rst
  ixpk= 2241, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1051,1052,
 &end
#
#   59 GLN  HN           59 GLN  HG+         5.50    (#   2242:20  Unique         1.94, 3.03 A)
 &rst
  ixpk= 2242, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-3:2243     0 AMB  20-1:2243   4.50    (#   2243:20  Double Ambig)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 171, 862,
 igr2= 867, 868, 867, 868,
 &end
#
#   59 GLN  HN           59 GLN  HG-         5.50    (#   2244:20  Unique         1.94, 3.03 A)
 &rst
  ixpk= 2244, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-3:2245    59 GLN  HG-         4.50    (#   2245:20  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 171, 862,
 igr2= 867, 868,
 &end
#
#   32 GLN  HN            0 AMB  20-1:2246   4.50    (#   2246:20  Single Ambig)
 &rst
  ixpk= 2246, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 461, 462, 461, 462,
 &end
#
#    0 AMB  20-3:2247     0 AMB  20-1:2247   4.50    (#   2247:20  Double Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 466, 467, 466, 467,
 igr2= 461, 462, 461, 462,
 &end
#
#   32 GLN  HA            0 AMB  20-1:2248   4.50    (#   2248:20  Single Ambig)
 &rst
  ixpk= 2248, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 461, 462, 461, 462,
 &end
#
#   80 GLN  HN            0 AMB  20-1:2249   5.50    (#   2249:20  Single Ambig)
 &rst
  ixpk= 2249, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1203,1204,1203,1204,
 &end
#
#    0 AMB  20-3:2250     0 AMB  20-1:2250   4.50    (#   2250:20  Double Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1208,1209,1208,1209,
 igr2=1203,1204,1203,1204,
 &end
#
#   80 GLN  HN            0 AMB  20-1:2251   7.00    (#   2251:20  Single Ambig)
 &rst
  ixpk= 2251, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2=1203,1204,1203,1204,
 &end
#
#   69 LYS  HN           69 LYS  HB+         4.50    (#   2252:20  Unique         2.18, 2.72 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1022,1023,
 &end
#
#   10 VAL  HA           10 VAL  HB          4.50    (#   2254:20  Unique         2.36, 2.93 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 VAL  HN           10 VAL  HB          3.50    (#   2255:20  Unique         2.55, 2.77 A)
 &rst
  ixpk= 2255, nxpk= 20, iat= 132, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 LYS  HN           69 LYS  HB-         4.50    (#   2256:20  Unique         2.18, 2.72 A)
 &rst
  ixpk= 2256, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1022,1023,
 &end
#
#    4 LYS  HN            4 LYS  HB+         4.50    (#   2257:20  Unique         2.25, 3.06 A)
 &rst
  ixpk= 2257, nxpk= 20, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  45,  46,
 &end
#
#   52 LEU  HN           51 HIS  HB+         5.50    (#   2259:20  Unique         2.14, 2.95 A)
 &rst
  ixpk= 2259, nxpk= 20, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#   45 VAL  HN           45 VAL  HB          4.50    (#   2261:20  Unique         2.69, 2.90 A)
 &rst
  ixpk= 2261, nxpk= 20, iat= 649, 653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLN  HE2+         19 GLN  HG-         4.50    (#   2263:20  Unique         2.12, 3.21 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 280, 281,
 igr2= 275, 276,
 &end
#
#   19 GLN  HE2+         19 GLN  HG+         4.50    (#   2264:20  Unique         2.12, 3.21 A)
 &rst
  ixpk= 2264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 280, 281,
 igr2= 275, 276,
 &end
#
#    0 AMB  20-3:2266     0 AMB  20-1:2266   4.50    (#   2266:20  Double Ambig)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 323, 268,
 igr2= 501, 275, 276,
 &end
#
#   35 VAL  HN           35 VAL  HB          4.50    (#   2267:20  Unique         2.62, 3.37 A)
 &rst
  ixpk= 2267, nxpk= 20, iat= 497, 501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:2268    32 GLN  HB-         4.50    (#   2268:20  Single Ambig)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 454, 353, 471,
 igr2= 458, 459,
 &end
#
#   32 GLN  HA           32 GLN  HB-         4.50    (#   2269:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2269, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 458, 459,
 &end
#
#   40 VAL  HN           40 VAL  HB          3.50    (#   2270:20  Unique         2.51, 2.56 A)
 &rst
  ixpk= 2270, nxpk= 20, iat= 575, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-3:2271     0 AMB  20-1:2271   4.50    (#   2271:20  Double Ambig)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 454, 353, 471,
 igr2= 458, 459, 458, 459, 458, 459,
 &end
#
#   32 GLN  HA           32 GLN  HB+         4.50    (#   2272:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2272, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 458, 459,
 &end
#
#   30 GLU  HN           30 GLU  HB+         4.50    (#   2273:20  Unique         2.82, 3.55 A)
 &rst
  ixpk= 2273, nxpk= 20, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 429, 430,
 &end
#
#   30 GLU  HN           30 GLU  HB-         4.50    (#   2274:20  Unique         2.82, 3.55 A)
 &rst
  ixpk= 2274, nxpk= 20, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 429, 430,
 &end
#
#   41 THR  HN           40 VAL  HB          4.50    (#   2275:20  Unique         2.66, 2.97 A)
 &rst
  ixpk= 2275, nxpk= 20, iat= 591, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ASP  HN           15 VAL  HB          4.50    (#   2277:20  Unique         2.25, 2.49 A)
 &rst
  ixpk= 2277, nxpk= 20, iat= 817, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  HN           15 VAL  HB          4.50    (#   2278:20  Unique         2.59, 2.65 A)
 &rst
  ixpk= 2278, nxpk= 20, iat= 212, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLU  HN            0 AMB  20-1:2280   4.50    (#   2280:20  Single Ambig)
 &rst
  ixpk= 2280, nxpk= 20, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  87,  88,  87,  88,
 &end
#
#   36 HIS  HN           36 HIS  HB-         4.50    (#   2281:20  Unique         2.10, 2.75 A)
 &rst
  ixpk= 2281, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 517, 518,
 &end
#
#   55 GLY  HN           15 VAL  HB          4.50    (#   2282:20  Unique         2.03, 2.34 A)
 &rst
  ixpk= 2282, nxpk= 20, iat= 810, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:2283    19 GLN  HB-         4.50    (#   2283:20  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 280, 281, 316,
 igr2= 272, 273,
 &end
#
#   19 GLN  HN           19 GLN  HB-         4.50    (#   2284:20  Unique         2.26, 3.17 A)
 &rst
  ixpk= 2284, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 272, 273,
 &end
#
#    0 AMB  20-3:2285     0 AMB  20-1:2285   2.80    (#   2285:20  Double Ambig)
 &rst
  ixpk= 2285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 829,  98,
 igr2= 833, 834, 102,
 &end
#
#   62 VAL  HN           62 VAL  HB          4.50    (#   2286:20  Unique         2.48, 2.72 A)
 &rst
  ixpk= 2286, nxpk= 20, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HA           57 GLU  HB+         3.50    (#   2287:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 2287, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 833, 834,
 &end
#
#   58 VAL  HN           57 GLU  HB+         4.50    (#   2288:20  Unique         4.16, 4.38 A)
 &rst
  ixpk= 2288, nxpk= 20, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 833, 834,
 &end
#
#   14 LYS  HA           57 GLU  HB+         7.00    (#   2289:20  Unique         3.78, 4.73 A)
 &rst
  ixpk= 2289, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 833, 834,
 &end
#
#    0 AMB  20-3:2290    54 VAL  HB          3.50    (#   2290:20  Single Ambig)
 &rst
  ixpk= 2290, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 794, 249,
 &end
#
#   80 GLN  HN            0 AMB  20-1:2291   4.50    (#   2291:20  Single Ambig)
 &rst
  ixpk= 2291, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1200,1201,1200,1201,
 &end
#
#   59 GLN  HN           59 GLN  HB+         4.50    (#   2295:20  Unique         2.30, 3.22 A)
 &rst
  ixpk= 2295, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 864, 865,
 &end
#
#   68 GLU  HN           67 GLU  HB-         5.50    (#   2296:20  Unique         2.85, 3.46 A)
 &rst
  ixpk= 2296, nxpk= 20, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 992, 993,
 &end
#
#   59 GLN  HN           59 GLN  HB-         7.00    (#   2298:20  Unique         2.30, 3.22 A)
 &rst
  ixpk= 2298, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 864, 865,
 &end
#
#    0 AMB  20-3:2299    59 GLN  HB-         3.50    (#   2299:20  Single Ambig)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 862, 171,
 igr2= 864, 865,
 &end
#
#   60 VAL  HN           59 GLN  HB-         5.50    (#   2300:20  Unique         2.39, 3.66 A)
 &rst
  ixpk= 2300, nxpk= 20, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 864, 865,
 &end
#
#   68 GLU  HN            0 AMB  20-1:2301   3.50    (#   2301:20  Single Ambig)
 &rst
  ixpk= 2301, nxpk= 20, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1007,1008,1007,1008,
 &end
#
#   67 GLU  HN           67 GLU  HB+         5.50    (#   2302:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 2302, nxpk= 20, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 992, 993,
 &end
#
#   67 GLU  HN           67 GLU  HB-         4.50    (#   2305:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 2305, nxpk= 20, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 992, 993,
 &end
#
#   75 SER  HA            0 AMB  20-1:2309   4.50    (#   2309:20  Single Ambig)
 &rst
  ixpk= 2309, nxpk= 20, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 564, 565, 564, 565,
 &end
#
#   69 LYS  HN            0 AMB  20-1:2310   4.50    (#   2310:20  Single Ambig)
 &rst
  ixpk= 2310, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1007,1008,1007,1008,
 &end
#
#   66 ASP  HN            0 AMB  20-1:2311   5.50    (#   2311:20  Single Ambig)
 &rst
  ixpk= 2311, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 992, 993,1007,1008,1007,1008,
 &end
#
#   50 GLU  HN           50 GLU  HB-         4.50    (#   2313:20  Unique         2.13, 3.02 A)
 &rst
  ixpk= 2313, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 736, 737,
 &end
#
#   29 GLU  HN           29 GLU  HB+         4.50    (#   2315:20  Unique         2.93, 3.76 A)
 &rst
  ixpk= 2315, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 414, 415,
 &end
#
#   77 ARG  HN           77 ARG  HB+         4.50    (#   2318:20  Unique         2.33, 3.04 A)
 &rst
  ixpk= 2318, nxpk= 20, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1152,1153,
 &end
#
#   77 ARG  HN           77 ARG  HB-         5.50    (#   2319:20  Unique         2.33, 3.04 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#    5 PHE  HD            0 AMB  20-1:2322   5.50    (#   2322:20  Single Ambig)
 &rst
  ixpk= 2322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  71,  79,
 igr2=  51,  52,  51,  52,
 &end
#
#   37 ILE  HN            0 AMB  20-1:2327   4.50    (#   2327:20  Single Ambig)
 &rst
  ixpk= 2327, nxpk= 20, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 540, 541, 540, 541,
 &end
#
#   25 VAL  MGX          25 VAL  HA          4.50    (#   2335:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:2337    38 SER  HA          3.50    (#   2337:20  Single Ambig)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 553, 554, 553, 554,
 &end
#
#    0 AMB  20-3:2338    38 SER  HA          4.50    (#   2338:20  Single Ambig)
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 536, 537, 538, 581, 582, 583, 585, 586, 587,
 &end
#
#   72 ILE  QD1          72 ILE  HG1+        3.50    (#   2340:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1082,1083,1084,
 igr2=1079,1080,
 &end
#
#    0 AMB  20-3:2342     0 AMB  20-1:2342   4.50    (#   2342:20  Double Ambig)
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 igr2=1079,1080,1079,1080,
 &end
#
#   72 ILE  HA           72 ILE  HG1+        5.50    (#   2343:20  Unique         2.57, 3.02 A)
 &rst
  ixpk= 2343, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1079,1080,
 &end
#
#    0 AMB  20-3:2352     3 ALA  MB          4.50    (#   2352:20  Single Ambig)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1079,1080, 446, 447, 448,
 igr2=  35,  36,  37,
 &end
#
#    4 LYS  HG+           3 ALA  MB          4.50    (#   2353:20  Unique         4.03, 6.68 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  48,  49,
 igr2=  35,  36,  37,
 &end
#
#    0 AMB  20-3:2356     4 LYS  HG-         4.50    (#   2356:20  Single Ambig)
 &rst
  ixpk= 2356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  51,  52,  51,  52,
 igr2=  48,  49,
 &end
#
#    5 PHE  HN            5 PHE  HB+         7.00    (#   2358:20  Unique         2.18, 3.00 A)
 &rst
  ixpk= 2358, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  67,  68,
 &end
#
#   10 VAL  HN            9 SER  HA          3.50    (#   2359:20  Unique         2.23, 2.48 A)
 &rst
  ixpk= 2359, nxpk= 20, iat= 132, 123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-3:2363     0 AMB  20-1:2363   3.50    (#   2363:20  Double Ambig)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2014,2015,2014,2015, 897, 898,
 igr2=2011,2012,2011,2012, 136,
 &end
#
#   11 TYR  HD           11 TYR  HA          4.50    (#   2372:20  Unique         2.22, 3.73 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 165,
 &end
#
#   12 THR  HN           11 TYR  HA          4.50    (#   2373:20  Unique         2.22, 2.37 A)
 &rst
  ixpk= 2373, nxpk= 20, iat= 169, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 TYR  HN           11 TYR  HA          4.50    (#   2374:20  Unique         2.77, 2.90 A)
 &rst
  ixpk= 2374, nxpk= 20, iat= 148, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 TYR  HA           11 TYR  HB+         3.50    (#   2375:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 2375, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 152, 153,
 &end
#
#   11 TYR  HA           11 TYR  HB-         4.50    (#   2376:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 2376, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 152, 153,
 &end
#
#    0 AMB  20-3:2379    12 THR  MG2         3.50    (#   2379:20  Single Ambig)
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 846, 185, 186,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:2384    18 LEU  HA          4.50    (#   2384:20  Single Ambig)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 &end
#
#   18 LEU  HB-          18 LEU  HA          3.50    (#   2385:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 253, 254,
 &end
#
#   18 LEU  HB+          18 LEU  HA          5.50    (#   2386:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#   19 GLN  HN           18 LEU  HA          4.50    (#   2387:20  Unique         2.14, 2.23 A)
 &rst
  ixpk= 2387, nxpk= 20, iat= 268, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:2388    18 LEU  HA          5.50    (#   2388:20  Single Ambig)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 249, 333,
 &end
#
#    0 AMB  20-3:2389     0 AMB  20-1:2389   4.50    (#   2389:20  Double Ambig)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 705, 706, 707, 800, 801, 802, 804, 805, 806, 800,
       801, 802, 804, 805, 806,
 igr2= 253, 254, 253, 254, 253, 254,
 &end
#
#   18 LEU  HA           18 LEU  HB+         4.50    (#   2390:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2390, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 253, 254,
 &end
#
#   18 LEU  HA           18 LEU  HB-         4.50    (#   2391:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 253, 254,
 &end
#
#    0 AMB  20-3:2392    18 LEU  HB-         3.50    (#   2392:20  Single Ambig)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 709, 710, 709, 710, 256,
 igr2= 253, 254,
 &end
#
#   18 LEU  HA           19 GLN  HA          4.50    (#   2393:20  Unique         4.39, 4.43 A)
 &rst
  ixpk= 2393, nxpk= 20, iat= 251, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:2396    26 ALA  HA          5.50    (#   2396:20  Single Ambig)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 461, 462, 461, 462,
 &end
#
#   32 GLN  HA           26 ALA  HA          4.50    (#   2397:20  Unique         2.00, 2.25 A)
 &rst
  ixpk= 2397, nxpk= 20, iat= 456, 371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HN           26 ALA  HA          4.50    (#   2398:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 2398, nxpk= 20, iat= 379, 371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GLY  HA+          27 LEU  HA          4.50    (#   2399:20  Unique         2.03, 3.21 A)
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 185, 186,
 &end
#
#   26 ALA  HA           32 GLN  HA          3.50    (#   2402:20  Unique         2.00, 2.25 A)
 &rst
  ixpk= 2402, nxpk= 20, iat= 371, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 SER  HA            0 AMB  20-1:2409   2.80    (#   2409:20  Single Ambig)
 &rst
  ixpk= 2409, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 553, 554, 553, 554,
 &end
#
#   71 LYS  HB+          67 GLU  HB+         7.00    (#   2411:20  Unique         8.72, 9.79 A)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1051,1052,
 igr2= 992, 993,
 &end
#
#   52 LEU  HA           40 VAL  MGY         4.50    (#   2412:20  Unique         5.33, 7.94 A)
 &rst
  ixpk= 2412, nxpk= 20, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 581, 582, 583, 585, 586, 587,
 &end
#
#   42 HIS  HA           42 HIS  HB-         4.50    (#   2419:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 2419, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 609, 610,
 &end
#
#   42 HIS  HB-          42 HIS  HA          2.80    (#   2424:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 609, 610,
 &end
#
#    0 AMB  20-3:2428     0 AMB  20-1:2428   2.80    (#   2428:20  Double Ambig)
 &rst
  ixpk= 2428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 672, 673, 672, 673, 672, 673,
 igr2= 669, 670, 669, 670, 669, 670,
 &end
#
#   18 LEU  MDY          49 ASN  HA          4.50    (#   2436:20  Unique         2.00, 3.64 A)
 &rst
  ixpk= 2436, nxpk= 20, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 258, 259, 260, 262, 263, 264,
 &end
#
#   52 LEU  HB-          49 ASN  HA          5.50    (#   2437:20  Unique         3.45, 4.69 A)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 768, 769,
 &end
#
#    0 AMB  20-3:2438     0 AMB  20-1:2438   7.00    (#   2438:20  Double Ambig)
 &rst
  ixpk= 2438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1054,1055, 256,
 igr2=1049, 720,
 &end
#
#    0 AMB  20-3:2439     0 AMB  20-1:2439   4.50    (#   2439:20  Double Ambig)
 &rst
  ixpk= 2439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1057,1058,1057,1058,1051,1052, 253, 254,
 igr2=1049, 720,
 &end
#
#   71 LYS  HB+          71 LYS  HA          4.50    (#   2440:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1051,1052,
 &end
#
#   49 ASN  HB-          49 ASN  HA          4.50    (#   2441:20  Unique         2.30, 2.57 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 722, 723,
 &end
#
#   49 ASN  HB+          49 ASN  HA          4.50    (#   2442:20  Unique         2.30, 2.57 A)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 722, 723,
 &end
#
#    0 AMB  20-3:2444     0 AMB  20-1:2444   5.50    (#   2444:20  Double Ambig)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1047, 747,
 igr2=1049, 720,
 &end
#
#   49 ASN  HN           49 ASN  HA          5.50    (#   2445:20  Unique         2.79, 2.84 A)
 &rst
  ixpk= 2445, nxpk= 20, iat= 718, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ILE  HN           71 LYS  HA          4.50    (#   2459:20  Unique         2.14, 2.27 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=1069,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 GLN  HA          106 GLN  HB+         5.50    (#   2460:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 2460, nxpk= 20, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1597,1598,
 &end
#
#   50 GLU  HG-          50 GLU  HB-         3.50    (#   2463:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 739, 740,
 igr2= 736, 737,
 &end
#
#   50 GLU  HG+          50 GLU  HB-         4.50    (#   2464:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 739, 740,
 igr2= 736, 737,
 &end
#
#   50 GLU  HA           50 GLU  HG+         4.50    (#   2465:20  Unique         2.12, 3.31 A)
 &rst
  ixpk= 2465, nxpk= 20, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 739, 740,
 &end
#
#    0 AMB  20-3:2466     0 AMB  20-1:2466   4.50    (#   2466:20  Double Ambig)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 691, 692, 751, 752,
 igr2= 739, 740, 739, 740,
 &end
#
#    0 AMB  20-3:2474    52 LEU  HA          5.50    (#   2474:20  Single Ambig)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-3:2475    52 LEU  HA          7.00    (#   2475:20  Single Ambig)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 256, 709, 710, 709, 710,
 &end
#
#    0 AMB  20-3:2484    52 LEU  MDX         2.80    (#   2484:20  Single Ambig)
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 850, 851, 852, 854, 855, 856, 258, 259, 260, 262,
       263, 264,
 igr2= 773, 774, 775, 777, 778, 779,
 &end
#
#   53 SER  HN           53 SER  HA          4.50    (#   2487:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2487, nxpk= 20, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 VAL  HN           53 SER  HA          3.50    (#   2488:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 794, 785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 LEU  HB+          54 VAL  MGY         4.50    (#   2490:20  Unique         2.22, 5.57 A)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 253, 254,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   53 SER  HB-          54 VAL  MGY         5.50    (#   2491:20  Unique         4.13, 6.98 A)
 &rst
  ixpk= 2491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 787, 788,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#   18 LEU  HA           54 VAL  MGY         7.00    (#   2492:20  Unique         3.74, 6.18 A)
 &rst
  ixpk= 2492, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 800, 801, 802, 804, 805, 806,
 &end
#
#    0 AMB  20-3:2495     0 AMB  20-1:2495   4.50    (#   2495:20  Double Ambig)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 218, 219, 220, 222, 223, 224, 386,
 igr2= 833, 834, 833, 834,
 &end
#
#    0 AMB  20-3:2496     0 AMB  20-1:2496   2.80    (#   2496:20  Double Ambig)
 &rst
  ixpk= 2496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 836, 837,1313,1314,1313,1314,
 igr2= 833, 834,1310,1311,1310,1311,
 &end
#
#   58 VAL  HA           58 VAL  HB          4.50    (#   2504:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 2504, nxpk= 20, iat= 846, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HA           58 VAL  MGY         4.50    (#   2505:20  Unique         3.80, 5.41 A)
 &rst
  ixpk= 2505, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:2507    58 VAL  MGY         3.50    (#   2507:20  Single Ambig)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1139,1140,1139,1140,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:2508    58 VAL  MGY         3.50    (#   2508:20  Single Ambig)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 218, 219, 220, 222, 223, 224, 773, 774, 775, 777,
       778, 779,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:2509    58 VAL  MGY         2.80    (#   2509:20  Single Ambig)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 359, 360, 361, 363, 364, 365, 883, 884, 885, 887,
       888, 889,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:2514     0 AMB  20-1:2514   4.50    (#   2514:20  Double Ambig)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 864, 865, 836, 837,
 igr2= 867, 868, 867, 868,
 &end
#
#   76 ILE  HA           60 VAL  HA          3.50    (#   2515:20  Unique         3.59, 4.29 A)
 &rst
  ixpk= 2515, nxpk= 20, iat=1131, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 VAL  HA           62 VAL  HB          4.50    (#   2518:20  Unique         2.27, 4.03 A)
 &rst
  ixpk= 2518, nxpk= 20, iat= 100, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HB+          12 THR  MG2         4.50    (#   2522:20  Unique         4.18, 6.00 A)
 &rst
  ixpk= 2522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 833, 834,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:2523     0 AMB  20-1:2523   4.50    (#   2523:20  Double Ambig)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 499, 952, 962,
 igr2= 503, 504, 505, 507, 508, 509, 921, 922, 923, 925,
       926, 927,
 &end
#
#   63 LEU  MDY           0 AMB  20-1:2524   3.50    (#   2524:20  Single Ambig)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 940, 941, 942, 944, 945, 946,
 igr2= 935, 936, 935, 936,
 &end
#
#   64 ALA  HN           63 LEU  MDX         7.00    (#   2525:20  Unique         2.40, 4.59 A)
 &rst
  ixpk= 2525, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 940, 941, 942, 944, 945, 946,
 &end
#
#    0 AMB  20-3:2527     0 AMB  20-1:2527   2.80    (#   2527:20  Double Ambig)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 258, 259, 260, 262, 263, 264,1075,1076,1077,
 igr2= 800, 801, 802, 804, 805, 806, 966, 967, 968, 970,
       971, 972,
 &end
#
#   66 ASP  HA           66 ASP  HB+         4.50    (#   2528:20  Unique         2.58, 2.82 A)
 &rst
  ixpk= 2528, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 980, 981,
 &end
#
#   66 ASP  HA           66 ASP  HB-         3.50    (#   2529:20  Unique         2.58, 2.82 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 980, 981,
 &end
#
#   68 GLU  HG+          69 LYS  HB+         5.50    (#   2530:20  Unique         3.72, 6.68 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1011,
 igr2=1022,1023,
 &end
#
#    0 AMB  20-3:2531     0 AMB  20-1:2531   4.50    (#   2531:20  Double Ambig)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1054,1055,1106, 954, 955, 956,
 igr2=1079,1080,1079,1080,1079,1080,
 &end
#
#   72 ILE  QD1          72 ILE  HG1-        3.50    (#   2533:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1082,1083,1084,
 igr2=1079,1080,
 &end
#
#    0 AMB  20-3:2542     0 AMB  20-1:2542   3.50    (#   2542:20  Double Ambig)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1176,1177,1178, 938,
 igr2=1122,1123,1122,1123,
 &end
#
#   75 SER  HN           75 SER  HB+         5.50    (#   2544:20  Unique         2.42, 3.24 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#   60 VAL  MGY          76 ILE  HA          5.50    (#   2545:20  Unique         2.91, 6.00 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 883, 884, 885, 887, 888, 889,
 &end
#
#   76 ILE  QD1          76 ILE  HA          4.50    (#   2546:20  Unique         2.03, 3.53 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1142,1143,1144,
 &end
#
#   76 ILE  QG2          76 ILE  HA          4.50    (#   2547:20  Unique         2.23, 3.07 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1135,1136,1137,
 &end
#
#   79 THR  MG2          76 ILE  HA          4.50    (#   2548:20  Unique         1.99, 2.89 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1188,1189,1190,
 &end
#
#    0 AMB  20-3:2549    76 ILE  HA          4.50    (#   2549:20  Single Ambig)
 &rst
  ixpk= 2549, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 879,1120,
 &end
#
#    8 GLY  HN           78 ALA  MB          7.00    (#   2560:20  Unique         6.74, 8.69 A)
 &rst
  ixpk= 2560, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1176,1177,1178,
 &end
#
#   76 ILE  HN           78 ALA  MB          5.50    (#   2562:20  Unique         4.99, 6.17 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1176,1177,1178,
 &end
#
#   80 GLN  HA            0 AMB  20-1:2563   4.50    (#   2563:20  Single Ambig)
 &rst
  ixpk= 2563, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1203,1204,1203,1204,
 &end
#
#  128 ILE  QG2         128 ILE  HG1-        4.50    (#   2582:20  Unique         2.02, 3.35 A)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1972,1973,1974,
 igr2=1976,1977,
 &end
#
#    4 LYS  HG-           4 LYS  HB+         4.50    (#   2583:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  48,  49,
 igr2=  45,  46,
 &end
#
#    5 PHE  HN            4 LYS  HB-         5.50    (#   2585:20  Unique         2.15, 3.60 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  45,  46,
 &end
#
#    4 LYS  HA            4 LYS  HG-         4.50    (#   2586:20  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2586, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  48,  49,
 &end
#
#    4 LYS  HB-           4 LYS  HG-         4.50    (#   2587:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  45,  46,
 igr2=  48,  49,
 &end
#
#    0 AMB  20-3:2588     0 AMB  20-1:2588   2.80    (#   2588:20  Double Ambig)
 &rst
  ixpk= 2588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 897, 898,1176,1177,1178,
 igr2= 906, 907, 906, 907, 906, 907,
 &end
#
#   62 VAL  HN            0 AMB  20-1:2589   7.00    (#   2589:20  Single Ambig)
 &rst
  ixpk= 2589, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr2= 906, 907, 906, 907,
 &end
#
#    8 GLY  HN            0 AMB  20-1:2590   5.50    (#   2590:20  Single Ambig)
 &rst
  ixpk= 2590, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 906, 907, 906, 907,
 &end
#
#    0 AMB  20-3:2591     5 PHE  HA          7.00    (#   2591:20  Single Ambig)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  65, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1082,1083,1084,1108,1109,1110,1112,1113,1114,
 &end
#
#   27 LEU  MDX           5 PHE  HB-         7.00    (#   2592:20  Unique         4.78, 7.95 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=  67,  68,
 &end
#
#   27 LEU  MDX           5 PHE  HB+         7.00    (#   2593:20  Unique         4.78, 7.95 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 388, 389, 390, 392, 393, 394,
 igr2=  67,  68,
 &end
#
#    5 PHE  HD            5 PHE  HB-         5.50    (#   2594:20  Unique         2.28, 3.05 A)
 &rst
  ixpk= 2594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  79,
 igr2=  67,  68,
 &end
#
#    5 PHE  HD            5 PHE  HB+         5.50    (#   2595:20  Unique         2.28, 3.05 A)
 &rst
  ixpk= 2595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  79,
 igr2=  67,  68,
 &end
#
#    0 AMB  20-3:2596     0 AMB  20-1:2596   4.50    (#   2596:20  Double Ambig)
 &rst
  ixpk= 2596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 125, 126, 125, 126,
 igr2=  87,  88,  87,  88,
 &end
#
#    7 VAL  HN            0 AMB  20-1:2597   3.50    (#   2597:20  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  87,  88,  87,  88,
 &end
#
#    7 VAL  MGY           0 AMB  20-1:2600   3.50    (#   2600:20  Single Ambig)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 104, 105, 106, 108, 109, 110,
 igr2=  87,  88,  87,  88,
 &end
#
#    7 VAL  MGX           0 AMB  20-1:2601   3.50    (#   2601:20  Single Ambig)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 104, 105, 106, 108, 109, 110,
 igr2=  87,  88,  87,  88,
 &end
#
#    9 SER  HN            8 GLY  HA+         5.50    (#   2602:20  Unique         2.85, 3.24 A)
 &rst
  ixpk= 2602, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 116, 117,
 &end
#
#   62 VAL  MGY           9 SER  HB+         5.50    (#   2604:20  Unique         3.11, 7.42 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 921, 922, 923, 925, 926, 927,
 igr2= 125, 126,
 &end
#
#    9 SER  HN            9 SER  HB+         4.50    (#   2605:20  Unique         2.41, 3.15 A)
 &rst
  ixpk= 2605, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 125, 126,
 &end
#
#    0 AMB  20-3:2607     0 AMB  20-1:2607   4.50    (#   2607:20  Double Ambig)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 921, 922, 923, 925, 926, 927, 800, 801, 802, 804,
       805, 806, 800, 801, 802, 804, 805, 806,
 igr2= 125, 126, 787, 788,
 &end
#
#   10 VAL  HN            9 SER  HB-         3.50    (#   2608:20  Unique         1.95, 2.90 A)
 &rst
  ixpk= 2608, nxpk= 20, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 125, 126,
 &end
#
#   11 TYR  HD           10 VAL  HA          7.00    (#   2609:20  Unique         3.08, 5.61 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 156, 165,
 &end
#
#   61 LYS  HB-          10 VAL  HA          4.50    (#   2610:20  Unique         2.07, 3.48 A)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 898,
 &end
#
#    0 AMB  20-3:2611    10 VAL  HB          5.50    (#   2611:20  Single Ambig)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 877,
 &end
#
#    5 PHE  HD           11 TYR  HB+         4.50    (#   2613:20  Unique         2.00, 6.01 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  79,
 igr2= 152, 153,
 &end
#
#    0 AMB  20-3:2614    12 THR  HA          5.50    (#   2614:20  Single Ambig)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 850, 851, 852, 854, 855, 856, 383, 384,1108,1109,
      1110,1112,1113,1114,
 &end
#
#   13 GLY  HN           12 THR  HB          4.50    (#   2618:20  Unique         3.32, 4.06 A)
 &rst
  ixpk= 2618, nxpk= 20, iat= 183, 173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 TYR  HB+          12 THR  MG2         5.50    (#   2620:20  Unique         6.24, 7.51 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 152, 153,
 igr2= 175, 176, 177,
 &end
#
#   14 LYS  HA           12 THR  MG2         5.50    (#   2621:20  Unique         5.04, 6.80 A)
 &rst
  ixpk= 2621, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  20-3:2622     0 AMB  20-1:2622   5.50    (#   2622:20  Double Ambig)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 197, 198, 175, 176, 177,1054,1055,
 igr2= 185, 186, 473, 474,
 &end
#
#    0 AMB  20-3:2623    13 GLY  HA-         5.50    (#   2623:20  Single Ambig)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 197, 198, 175, 176, 177,
 igr2= 185, 186,
 &end
#
#   27 LEU  HA           13 GLY  HA-         4.50    (#   2624:20  Unique         2.03, 3.21 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 185, 186,
 &end
#
#   14 LYS  HN           13 GLY  HA-         4.50    (#   2625:20  Unique         2.14, 2.59 A)
 &rst
  ixpk= 2625, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 185, 186,
 &end
#
#   75 SER  HN           74 LEU  HA          3.50    (#   2626:20  Unique         2.19, 2.29 A)
 &rst
  ixpk= 2626, nxpk= 20, iat=1118,1101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 ILE  HN           61 LYS  HB+         7.00    (#   2628:20  Unique         5.23, 8.28 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 897, 898,
 &end
#
#    0 AMB  20-3:2629     0 AMB  20-1:2629   5.50    (#   2629:20  Double Ambig)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 203, 204, 203, 204, 203, 204,
 igr2= 194, 195, 194, 195, 194, 195,
 &end
#
#   57 GLU  HA           14 LYS  HG+         5.50    (#   2632:20  Unique         2.00, 3.09 A)
 &rst
  ixpk= 2632, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 197, 198,
 &end
#
#    0 AMB  20-3:2633     0 AMB  20-1:2633   5.50    (#   2633:20  Double Ambig)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 212, 183,
 igr2= 197, 198, 197, 198,
 &end
#
#    0 AMB  20-3:2634    14 LYS  HG-         5.50    (#   2634:20  Single Ambig)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 212, 183,
 igr2= 197, 198,
 &end
#
#   14 LYS  HA           15 VAL  HB          5.50    (#   2636:20  Unique         4.74, 4.83 A)
 &rst
  ixpk= 2636, nxpk= 20, iat= 192, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 LYS  HA           15 VAL  MGX         5.50    (#   2637:20  Unique         3.62, 5.59 A)
 &rst
  ixpk= 2637, nxpk= 20, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   19 GLN  HN           18 LEU  HB-         4.50    (#   2639:20  Unique         2.42, 3.65 A)
 &rst
  ixpk= 2639, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 253, 254,
 &end
#
#    0 AMB  20-3:2640    18 LEU  HB-         7.00    (#   2640:20  Single Ambig)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 249, 285,
 igr2= 253, 254,
 &end
#
#   54 VAL  HB           18 LEU  MDX         5.50    (#   2641:20  Unique         2.09, 5.35 A)
 &rst
  ixpk= 2641, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   15 VAL  HB           18 LEU  MDX         5.50    (#   2643:20  Unique         4.10, 6.46 A)
 &rst
  ixpk= 2643, nxpk= 20, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   49 ASN  HB-          18 LEU  MDX         5.50    (#   2644:20  Unique         2.01, 5.21 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 722, 723,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#   18 LEU  HA           18 LEU  MDX         2.80    (#   2645:20  Unique         2.01, 4.07 A)
 &rst
  ixpk= 2645, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 258, 259, 260, 262, 263, 264,
 &end
#
#    0 AMB  20-3:2646    19 GLN  HA          5.50    (#   2646:20  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 &end
#
#    0 AMB  20-3:2647    19 GLN  HA          5.50    (#   2647:20  Single Ambig)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 253, 254, 703,
 &end
#
#   20 ALA  HA           19 GLN  HA          5.50    (#   2648:20  Unique         4.29, 4.39 A)
 &rst
  ixpk= 2648, nxpk= 20, iat= 287, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLN  HE2+         19 GLN  HA          5.50    (#   2649:20  Unique         2.78, 4.64 A)
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 280, 281,
 &end
#
#   19 GLN  HG-          19 GLN  HB+         3.50    (#   2650:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 275, 276,
 igr2= 272, 273,
 &end
#
#   21 TYR  HN           19 GLN  HB+         4.50    (#   2652:20  Unique         2.14, 2.90 A)
 &rst
  ixpk= 2652, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 272, 273,
 &end
#
#   19 GLN  HE2-         19 GLN  HB+         7.00    (#   2653:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 280, 281,
 igr2= 272, 273,
 &end
#
#   19 GLN  HN           19 GLN  HB+         5.50    (#   2654:20  Unique         2.26, 3.17 A)
 &rst
  ixpk= 2654, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 272, 273,
 &end
#
#   19 GLN  HB+          19 GLN  HG-         4.50    (#   2655:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 2655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 272, 273,
 igr2= 275, 276,
 &end
#
#   19 GLN  HN           19 GLN  HG-         7.00    (#   2657:20  Unique         2.56, 4.00 A)
 &rst
  ixpk= 2657, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 275, 276,
 &end
#
#   19 GLN  HE2-         19 GLN  HG-         7.00    (#   2658:20  Unique         2.12, 3.21 A)
 &rst
  ixpk= 2658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 280, 281,
 igr2= 275, 276,
 &end
#
#   19 GLN  HE2-         19 GLN  HG+         7.00    (#   2659:20  Unique         2.12, 3.21 A)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 280, 281,
 igr2= 275, 276,
 &end
#
#   21 TYR  HN           20 ALA  HA          4.50    (#   2660:20  Unique         3.13, 3.37 A)
 &rst
  ixpk= 2660, nxpk= 20, iat= 295, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 TYR  HB+          20 ALA  MB          5.50    (#   2661:20  Unique         4.09, 6.07 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 299, 300,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  20-3:2663    20 ALA  MB          5.50    (#   2663:20  Single Ambig)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 316, 280, 281,
 igr2= 289, 290, 291,
 &end
#
#   22 GLY  HN           21 TYR  HA          5.50    (#   2665:20  Unique         3.01, 3.41 A)
 &rst
  ixpk= 2665, nxpk= 20, iat= 316, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 ASP  HN          113 ASP  HA          4.50    (#   2667:20  Unique         2.27, 2.79 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=1706,1708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ILE  QG2          21 TYR  HB+         5.50    (#   2668:20  Unique         3.84, 5.85 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 536, 537, 538,
 igr2= 299, 300,
 &end
#
#   37 ILE  QG2          21 TYR  HB-         5.50    (#   2669:20  Unique         3.84, 5.85 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 536, 537, 538,
 igr2= 299, 300,
 &end
#
#   21 TYR  HN           21 TYR  HB+         7.00    (#   2670:20  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2670, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 299, 300,
 &end
#
#   21 TYR  HN           21 TYR  HB-         4.50    (#   2671:20  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2671, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 299, 300,
 &end
#
#   37 ILE  HA           22 GLY  HA+         5.50    (#   2672:20  Unique         2.85, 4.11 A)
 &rst
  ixpk= 2672, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 318, 319,
 &end
#
#   37 ILE  HA           22 GLY  HA-         4.50    (#   2673:20  Unique         2.85, 4.11 A)
 &rst
  ixpk= 2673, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   22 GLY  HN           22 GLY  HA+         4.50    (#   2674:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 2674, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   37 ILE  HN           22 GLY  HA+         4.50    (#   2675:20  Unique         2.77, 3.55 A)
 &rst
  ixpk= 2675, nxpk= 20, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#   37 ILE  HN           22 GLY  HA-         5.50    (#   2676:20  Unique         2.77, 3.55 A)
 &rst
  ixpk= 2676, nxpk= 20, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 318, 319,
 &end
#
#    0 AMB  20-3:2677     0 AMB  20-1:2677   4.50    (#   2677:20  Double Ambig)
 &rst
  ixpk= 2677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 485, 327, 328, 329,
 igr2= 318, 319, 318, 319,
 &end
#
#   23 ALA  MB           22 GLY  HA-         4.50    (#   2678:20  Unique         4.10, 5.28 A)
 &rst
  ixpk= 2678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 327, 328, 329,
 igr2= 318, 319,
 &end
#
#   37 ILE  HB           22 GLY  HA+         5.50    (#   2679:20  Unique         2.89, 3.96 A)
 &rst
  ixpk= 2679, nxpk= 20, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 318, 319,
 &end
#
#   18 LEU  HB-          23 ALA  HA          5.50    (#   2680:20  Unique         3.54, 4.70 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#   24 PHE  HB-          23 ALA  HA          5.50    (#   2681:20  Unique         4.04, 4.80 A)
 &rst
  ixpk= 2681, nxpk= 20, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 337, 338,
 &end
#
#   18 LEU  HA           23 ALA  MB          4.50    (#   2683:20  Unique         2.00, 3.44 A)
 &rst
  ixpk= 2683, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 327, 328, 329,
 &end
#
#    0 AMB  20-3:2684    73 SER  HA          4.50    (#   2684:20  Single Ambig)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 485,1103,1104,
 &end
#
#   74 LEU  HB+          73 SER  HA          4.50    (#   2685:20  Unique         4.73, 5.25 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1103,1104,
 &end
#
#    0 AMB  20-3:2686    73 SER  HA          4.50    (#   2686:20  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 482, 483,1051,1052,
 &end
#
#   17 GLY  HN           24 PHE  HB+         5.50    (#   2687:20  Unique         2.70, 3.64 A)
 &rst
  ixpk= 2687, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#   23 ALA  HA           24 PHE  HB+         5.50    (#   2688:20  Unique         4.04, 4.80 A)
 &rst
  ixpk= 2688, nxpk= 20, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-3:2689    24 PHE  HB-         5.50    (#   2689:20  Single Ambig)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 480,
 igr2= 337, 338,
 &end
#
#   25 VAL  MGY          25 VAL  HA          4.50    (#   2690:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:2691    45 VAL  MGX         4.50    (#   2691:20  Single Ambig)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 751, 752, 691, 692,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:2692    45 VAL  MGX         5.50    (#   2692:20  Single Ambig)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 678, 679, 678, 679, 564, 565, 564, 565,
 igr2= 655, 656, 657, 659, 660, 661,
 &end
#
#   13 GLY  HA+          25 VAL  MGY         3.50    (#   2693:20  Unique         2.03, 5.28 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 185, 186,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   15 VAL  HB           25 VAL  MGX         5.50    (#   2694:20  Unique         4.20, 6.19 A)
 &rst
  ixpk= 2694, nxpk= 20, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   13 GLY  HA-          25 VAL  MGX         5.50    (#   2695:20  Unique         2.03, 5.28 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 185, 186,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#    0 AMB  20-3:2696    25 VAL  MGX         5.50    (#   2696:20  Single Ambig)
 &rst
  ixpk= 2696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 183, 212,
 igr2= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  MGY          27 LEU  HA          4.50    (#   2697:20  Unique         3.99, 6.62 A)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   31 THR  HB           27 LEU  HB+         5.50    (#   2698:20  Unique         2.58, 4.08 A)
 &rst
  ixpk= 2698, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 383, 384,
 &end
#
#   31 THR  HB           27 LEU  HB-         4.50    (#   2699:20  Unique         2.58, 4.08 A)
 &rst
  ixpk= 2699, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
#   27 LEU  HN           27 LEU  HB+         5.50    (#   2700:20  Unique         2.16, 3.10 A)
 &rst
  ixpk= 2700, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 383, 384,
 &end
#
#   27 LEU  HN           27 LEU  HB-         4.50    (#   2701:20  Unique         2.16, 3.10 A)
 &rst
  ixpk= 2701, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
#   25 VAL  MGY          27 LEU  HG          4.50    (#   2702:20  Unique         3.64, 6.34 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   27 LEU  HA           27 LEU  HG          5.50    (#   2703:20  Unique         2.54, 3.08 A)
 &rst
  ixpk= 2703, nxpk= 20, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:2704    27 LEU  MDX         7.00    (#   2704:20  Single Ambig)
 &rst
  ixpk= 2704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1= 400, 214, 962,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   13 GLY  HA+          27 LEU  MDX         5.50    (#   2705:20  Unique         2.11, 5.56 A)
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 185, 186,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:2706    27 LEU  MDX         7.00    (#   2706:20  Single Ambig)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 192,1101,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   28 ASP  HN           27 LEU  MDX         7.00    (#   2707:20  Unique         3.67, 5.22 A)
 &rst
  ixpk= 2707, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   11 TYR  HB-          27 LEU  MDY         4.50    (#   2708:20  Unique         2.04, 4.76 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 152, 153,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   31 THR  HB           27 LEU  MDY         5.50    (#   2709:20  Unique         2.05, 5.02 A)
 &rst
  ixpk= 2709, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   13 GLY  HA+          27 LEU  MDY         4.50    (#   2710:20  Unique         2.11, 5.56 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 185, 186,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  20-3:2711    27 LEU  MDY         5.50    (#   2711:20  Single Ambig)
 &rst
  ixpk= 2711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  85,  65, 125, 126,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   32 GLN  HA           27 LEU  MDY         5.50    (#   2712:20  Unique         3.64, 5.50 A)
 &rst
  ixpk= 2712, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   14 LYS  HN           27 LEU  MDY         5.50    (#   2713:20  Unique         3.51, 6.87 A)
 &rst
  ixpk= 2713, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   28 ASP  HN           27 LEU  MDY         5.50    (#   2714:20  Unique         3.67, 5.22 A)
 &rst
  ixpk= 2714, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 388, 389, 390, 392, 393, 394,
 &end
#
#   29 GLU  HB-          28 ASP  HA          4.50    (#   2715:20  Unique         3.96, 4.92 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 414, 415,
 &end
#
#    0 AMB  20-3:2716    28 ASP  HA          5.50    (#   2716:20  Single Ambig)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 417, 418, 417, 418,
 &end
#
#    0 AMB  20-3:2722     0 AMB  20-1:2722   2.80    (#   2722:20  Double Ambig)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 417, 418, 417, 418, 995, 996,
 igr2= 412, 990,
 &end
#
#   69 LYS  HN           67 GLU  HA          5.50    (#   2723:20  Unique         4.13, 4.72 A)
 &rst
  ixpk= 2723, nxpk= 20, iat=1018, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-3:2724     0 AMB  20-1:2724   2.80    (#   2724:20  Double Ambig)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 417, 418, 417, 418,
 igr2= 414, 415, 414, 415,
 &end
#
#    0 AMB  20-3:2725   106 GLN  HB-         2.80    (#   2725:20  Single Ambig)
 &rst
  ixpk= 2725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1600,1601,1600,1601,
 igr2=1597,1598,
 &end
#
#   30 GLU  HA            0 AMB  20-1:2726   5.50    (#   2726:20  Single Ambig)
 &rst
  ixpk= 2726, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 417, 418, 417, 418,
 &end
#
#   70 GLY  HA-          67 GLU  HG-         5.50    (#   2727:20  Unique         4.86, 6.90 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1042,1043,
 igr2= 995, 996,
 &end
#
#   69 LYS  HN           68 GLU  HG-         4.50    (#   2728:20  Unique         3.01, 4.44 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1010,1011,
 &end
#
#   72 ILE  QD1          31 THR  HA          5.50    (#   2730:20  Unique         3.86, 6.21 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1082,1083,1084,
 &end
#
#    0 AMB  20-3:2731    31 THR  HA          5.50    (#   2731:20  Single Ambig)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 461, 462, 461, 462, 432, 433, 432, 433,
 &end
#
#    0 AMB  20-3:2733    31 THR  MG2         5.50    (#   2733:20  Single Ambig)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 379, 976,
 igr2= 446, 447, 448,
 &end
#
#    0 AMB  20-3:2734    31 THR  MG2         5.50    (#   2734:20  Single Ambig)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 990, 381,
 igr2= 446, 447, 448,
 &end
#
#   33 GLY  HA-          31 THR  MG2         5.50    (#   2735:20  Unique         3.93, 5.61 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 473, 474,
 igr2= 446, 447, 448,
 &end
#
#    0 AMB  20-3:2736    31 THR  MG2         5.50    (#   2736:20  Single Ambig)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  67,  68, 995, 996,
 igr2= 446, 447, 448,
 &end
#
#    0 AMB  20-3:2737    31 THR  MG2         5.50    (#   2737:20  Single Ambig)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 458, 459, 429, 430, 992, 993,
 igr2= 446, 447, 448,
 &end
#
#   34 LEU  HN           34 LEU  HA          4.50    (#   2740:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 2740, nxpk= 20, iat= 478, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-3:2743    34 LEU  MDY         4.50    (#   2743:20  Single Ambig)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 275, 276, 461, 462, 461, 462,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  20-3:2744    36 HIS  HA          7.00    (#   2744:20  Single Ambig)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 316, 280, 281,
 &end
#
#    0 AMB  20-3:2747    37 ILE  HA          5.50    (#   2747:20  Single Ambig)
 &rst
  ixpk= 2747, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 560, 323,
 &end
#
#    0 AMB  20-3:2748     0 AMB  20-1:2748   5.50    (#   2748:20  Double Ambig)
 &rst
  ixpk= 2748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 551, 318, 319, 318, 319,
 igr2= 540, 541, 540, 541, 540, 541,
 &end
#
#   45 VAL  HN           37 ILE  QD1         5.50    (#   2749:20  Unique         3.37, 5.28 A)
 &rst
  ixpk= 2749, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 543, 544, 545,
 &end
#
#    0 AMB  20-3:2750    37 ILE  QD1         5.50    (#   2750:20  Single Ambig)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 318, 319, 551,
 igr2= 543, 544, 545,
 &end
#
#   20 ALA  HA           37 ILE  QD1         5.50    (#   2751:20  Unique         2.62, 4.29 A)
 &rst
  ixpk= 2751, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 543, 544, 545,
 &end
#
#    0 AMB  20-3:2753    37 ILE  QD1         5.50    (#   2753:20  Single Ambig)
 &rst
  ixpk= 2753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 633, 634, 299, 300,
 igr2= 543, 544, 545,
 &end
#
#   40 VAL  HB           37 ILE  QD1         5.50    (#   2754:20  Unique         3.55, 6.12 A)
 &rst
  ixpk= 2754, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 543, 544, 545,
 &end
#
#    0 AMB  20-3:2756    37 ILE  QG2         5.50    (#   2756:20  Single Ambig)
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 560, 323,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:2757    37 ILE  QG2         5.50    (#   2757:20  Single Ambig)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 637, 645, 316,
 igr2= 536, 537, 538,
 &end
#
#   22 GLY  HA-          37 ILE  QG2         5.50    (#   2758:20  Unique         4.42, 5.81 A)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 318, 319,
 igr2= 536, 537, 538,
 &end
#
#    0 AMB  20-3:2760    40 VAL  HB          4.50    (#   2760:20  Single Ambig)
 &rst
  ixpk= 2760, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 655, 656, 657, 659, 660, 661, 597, 598, 599,
 &end
#
#    0 AMB  20-3:2761   127 LEU  MDX         4.50    (#   2761:20  Single Ambig)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1947,1966,
 igr2=1956,1957,1958,1960,1961,1962,
 &end
#
#    0 AMB  20-3:2763    41 THR  HA          5.50    (#   2763:20  Single Ambig)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 609, 610, 564, 565,
 &end
#
#   41 THR  HN           41 THR  HB          4.50    (#   2764:20  Unique         3.17, 3.47 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 591, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 VAL  MGX          41 THR  HB          7.00    (#   2765:20  Unique         2.55, 5.04 A)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  20-3:2766    41 THR  HB          4.50    (#   2766:20  Single Ambig)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 581, 582, 583, 585, 586, 587,1152,1153,
 &end
#
#   15 VAL  HA           58 VAL  MGX         4.50    (#   2767:20  Unique         3.53, 6.02 A)
 &rst
  ixpk= 2767, nxpk= 20, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#    0 AMB  20-3:2768    58 VAL  MGX         4.50    (#   2768:20  Single Ambig)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 355, 785,1131,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   56 ASP  HB+          58 VAL  MGX         4.50    (#   2771:20  Unique         2.67, 5.84 A)
 &rst
  ixpk= 2771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 821, 822,
 igr2= 850, 851, 852, 854, 855, 856,
 &end
#
#   42 HIS  HB+          42 HIS  HA          3.50    (#   2773:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 609, 610,
 &end
#
#    0 AMB  20-3:2774     0 AMB  20-1:2774   2.80    (#   2774:20  Double Ambig)
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 134, 862,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   71 LYS  HB+          71 LYS  HG-         4.50    (#   2777:20  Unique         2.25, 2.69 A)
 &rst
  ixpk= 2777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1051,1052,
 igr2=1054,1055,
 &end
#
#    0 AMB  20-3:2778    14 LYS  HG-         2.80    (#   2778:20  Single Ambig)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 194, 195, 194, 195,
 igr2= 197, 198,
 &end
#
#   25 VAL  HA           15 VAL  HA          3.50    (#   2779:20  Unique         2.00, 2.29 A)
 &rst
  ixpk= 2779, nxpk= 20, iat= 355, 214, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-3:2782    23 ALA  MB          3.50    (#   2782:20  Single Ambig)
 &rst
  ixpk= 2782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 318, 319, 214,
 igr2= 327, 328, 329,
 &end
#
#    0 AMB  20-3:2783    23 ALA  MB          5.50    (#   2783:20  Single Ambig)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 513, 212, 699,
 igr2= 327, 328, 329,
 &end
#
#   25 VAL  HA           26 ALA  HN          2.80    (#     14:10  Unique         2.14, 2.21 A)
 &rst
  ixpk= 14, nxpk= 10, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 VAL  HA           26 ALA  HN          3.50    (#     15:10  Unique         3.27, 3.69 A)
 &rst
  ixpk= 15, nxpk= 10, iat= 214, 369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLY  HA-          26 ALA  HN          4.50    (#     16:10  Unique         3.87, 4.75 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 185, 186,
 &end
#
#    0 AMB  10-2:17      26 ALA  HN          4.50    (#     17:10  Single Ambig)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 194, 195, 194, 195, 200, 201,
 &end
#
#   26 ALA  MB           26 ALA  HN          2.80    (#     18:10  Unique         2.42, 3.07 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 373, 374, 375,
 &end
#
#    0 AMB  10-2:19      26 ALA  HN          2.80    (#     19:10  Single Ambig)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 238, 234, 235, 236,
 &end
#
#   25 VAL  MGX          26 ALA  HN          2.80    (#     20:10  Unique         1.94, 3.99 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  MGY          26 ALA  HN          2.80    (#     21:10  Unique         1.94, 3.99 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   63 LEU  HA           63 LEU  HN          3.50    (#     22:10  Unique         2.82, 2.92 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 933, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 VAL  HA           63 LEU  HN          2.80    (#     23:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 917, 931, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:24      63 LEU  HN          4.50    (#     24:10  Single Ambig)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1092,1093,1122,1123,
 &end
#
#   63 LEU  HG           63 LEU  HN          4.50    (#     25:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 938, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 VAL  MGY          63 LEU  HN          3.50    (#     26:10  Unique         2.15, 4.11 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  10-2:27      63 LEU  HN          2.80    (#     27:10  Single Ambig)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 940, 941, 942, 944, 945, 946, 921, 922, 923, 925,
       926, 927,
 &end
#
#  129 LYS  HA          130 LYS  HN          4.50    (#     28:10  Unique         2.14, 2.22 A)
 &rst
  ixpk= 28, nxpk= 10, iat=1987,2007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:29      76 ILE  HN          5.50    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 562, 499,
 &end
#
#   37 ILE  HA           48 ILE  HN          7.00    (#     30:10  Unique         6.51, 7.71 A)
 &rst
  ixpk= 30, nxpk= 10, iat= 532, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:31      48 ILE  HN          4.50    (#     31:10  Single Ambig)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 540, 541, 540, 541, 534,
 &end
#
#   47 ASP  HA           48 ILE  HN          2.80    (#     32:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 32, nxpk= 10, iat= 689, 699, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 ILE  HB           48 ILE  HN          2.80    (#     33:10  Unique         2.48, 2.72 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 703, 699, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 ILE  QG2          48 ILE  HN          2.80    (#     34:10  Unique         1.90, 2.90 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 705, 706, 707,
 &end
#
#   45 VAL  MGY          48 ILE  HN          4.50    (#     35:10  Unique         3.99, 5.65 A)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  10-2:36      48 ILE  HN          3.50    (#     36:10  Single Ambig)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 691, 692, 691, 692,
 &end
#
#   76 ILE  HA           76 ILE  HN          4.50    (#     37:10  Unique         2.80, 2.89 A)
 &rst
  ixpk= 37, nxpk= 10, iat=1131,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 VAL  HA           76 ILE  HN          4.50    (#     38:10  Unique         2.34, 2.89 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 577,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:39      76 ILE  HN          4.50    (#     39:10  Single Ambig)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 564, 565, 564, 565,
 &end
#
#   76 ILE  HB           76 ILE  HN          3.50    (#     40:10  Unique         2.49, 2.58 A)
 &rst
  ixpk= 40, nxpk= 10, iat=1133,1129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:41      76 ILE  HN          3.50    (#     41:10  Single Ambig)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1139,1140,1139,1140,
 &end
#
#    0 AMB  10-2:42      76 ILE  HN          5.50    (#     42:10  Single Ambig)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1188,1189,1190, 900, 901,
 &end
#
#   35 VAL  MGX          76 ILE  HN          3.50    (#     44:10  Unique         2.12, 5.14 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 503, 504, 505, 507, 508, 509,
 &end
#
#    0 AMB  10-2:45      76 ILE  HN          4.50    (#     45:10  Single Ambig)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 581, 582, 583, 585, 586, 587, 883, 884, 885, 887,
       888, 889,
 &end
#
#    0 AMB  10-2:46      76 ILE  HN          2.80    (#     46:10  Single Ambig)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 503, 504, 505, 507, 508, 509,1142,1143,1144,
 &end
#
#   35 VAL  HA           35 VAL  HN          3.50    (#     47:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 47, nxpk= 10, iat= 499, 497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 VAL  HB           35 VAL  HN          3.50    (#     48:10  Unique         2.62, 3.37 A)
 &rst
  ixpk= 48, nxpk= 10, iat= 501, 497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LEU  HB+          35 VAL  HN          4.50    (#     49:10  Unique         3.82, 4.05 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 482, 483,
 &end
#
#   34 LEU  HG           35 VAL  HN          5.50    (#     50:10  Unique         2.66, 3.05 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 485, 497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:51      35 VAL  HN          2.80    (#     51:10  Single Ambig)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 503, 504, 505, 507, 508, 509, 487, 488, 489, 491,
       492, 493,
 &end
#
#   34 LEU  MDY          35 VAL  HN          2.80    (#     52:10  Unique         1.95, 3.99 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   35 VAL  MGY          35 VAL  HN          3.50    (#     53:10  Unique         1.95, 3.64 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 503, 504, 505, 507, 508, 509,
 &end
#
#   48 ILE  QD1          48 ILE  HN          4.50    (#     54:10  Unique         4.28, 5.43 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 712, 713, 714,
 &end
#
#   44 PHE  HA           45 VAL  HN          2.80    (#     61:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 61, nxpk= 10, iat= 631, 649, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 VAL  HA           45 VAL  HN          3.50    (#     62:10  Unique         2.88, 2.94 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 651, 649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 PHE  HB-          45 VAL  HN          4.50    (#     63:10  Unique         3.02, 3.91 A)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 633, 634,
 &end
#
#   45 VAL  HB           45 VAL  HN          4.50    (#     64:10  Unique         2.69, 2.90 A)
 &rst
  ixpk= 64, nxpk= 10, iat= 653, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:65      45 VAL  HN          3.50    (#     65:10  Single Ambig)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 655, 656, 657, 659, 660, 661, 597, 598, 599,
 &end
#
#   44 PHE  HB+          45 VAL  HN          4.50    (#     67:10  Unique         3.02, 3.91 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 633, 634,
 &end
#
#    0 AMB  10-2:68      45 VAL  HN          5.50    (#     68:10  Single Ambig)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 540, 541, 540, 541,
 &end
#
#    0 AMB  10-2:69      36 HIS  HN          2.80    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 499, 515,
 &end
#
#   36 HIS  HB+          36 HIS  HN          2.80    (#     70:10  Unique         2.10, 2.75 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 517, 518,
 &end
#
#   36 HIS  HB-          36 HIS  HN          2.80    (#     71:10  Unique         2.10, 2.75 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 517, 518,
 &end
#
#    0 AMB  10-2:73      36 HIS  HN          7.00    (#     73:10  Single Ambig)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1133, 275, 276,
 &end
#
#   34 LEU  HG           36 HIS  HN          4.50    (#     74:10  Unique         2.90, 3.55 A)
 &rst
  ixpk= 74, nxpk= 10, iat= 485, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 VAL  MGY          36 HIS  HN          2.80    (#     75:10  Unique         2.56, 4.83 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 503, 504, 505, 507, 508, 509,
 &end
#
#   35 VAL  MGX          36 HIS  HN          3.50    (#     76:10  Unique         2.56, 4.83 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 503, 504, 505, 507, 508, 509,
 &end
#
#   27 LEU  HA           32 GLN  HN          7.00    (#     78:10  Unique         7.09, 7.64 A)
 &rst
  ixpk= 78, nxpk= 10, iat= 381, 454, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   27 LEU  HB+          32 GLN  HN          4.50    (#     80:10  Unique         4.83, 6.67 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 383, 384,
 &end
#
#   25 VAL  MGY          32 GLN  HN          7.00    (#     81:10  Unique         7.58, 9.35 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   31 THR  HA           32 GLN  HN          3.50    (#     82:10  Unique         2.15, 2.26 A)
 &rst
  ixpk= 82, nxpk= 10, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HB           32 GLN  HN          4.50    (#     83:10  Unique         4.34, 4.46 A)
 &rst
  ixpk= 83, nxpk= 10, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:84      32 GLN  HN          4.50    (#     84:10  Single Ambig)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 461, 462, 461, 462,
 &end
#
#    0 AMB  10-2:85      32 GLN  HN          2.80    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 458, 459, 458, 459,
 &end
#
#    0 AMB  10-2:86      32 GLN  HN          4.50    (#     86:10  Single Ambig)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 446, 447, 448, 450,
 &end
#
#   27 LEU  MDX          32 GLN  HN          4.50    (#     87:10  Unique         5.08, 7.28 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   32 GLN  HB+          27 LEU  HN          5.50    (#     88:10  Unique         3.03, 5.13 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 458, 459,
 &end
#
#   26 ALA  HA           27 LEU  HN          2.80    (#     89:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 89, nxpk= 10, iat= 371, 379, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:90      27 LEU  HN          4.50    (#     90:10  Single Ambig)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 400, 442,
 &end
#
#   27 LEU  HA           27 LEU  HN          3.50    (#     91:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 91, nxpk= 10, iat= 381, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HB           27 LEU  HN          4.50    (#     92:10  Unique         4.32, 4.64 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 444, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:93      27 LEU  HN          4.50    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 461, 462, 461, 462,
 &end
#
#   26 ALA  MB           27 LEU  HN          3.50    (#     94:10  Unique         2.84, 3.74 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 373, 374, 375,
 &end
#
#   27 LEU  HG           27 LEU  HN          3.50    (#     95:10  Unique         2.19, 2.64 A)
 &rst
  ixpk= 95, nxpk= 10, iat= 386, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LEU  HB-          27 LEU  HN          2.80    (#     96:10  Unique         2.16, 3.10 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 383, 384,
 &end
#
#   27 LEU  MDY          27 LEU  HN          4.50    (#     97:10  Unique         3.02, 4.52 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  MDX          27 LEU  HN          4.50    (#     98:10  Unique         3.02, 4.52 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#  128 ILE  HA          129 LYS  HN          4.50    (#     99:10  Unique         2.16, 2.22 A)
 &rst
  ixpk= 99, nxpk= 10, iat=1968,1985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LYS  HG-          72 ILE  HN          4.50    (#    102:10  Unique         1.96, 3.41 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#    0 AMB  10-2:103     72 ILE  HN          4.50    (#    103:10  Single Ambig)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#   71 LYS  HA           72 ILE  HN          2.80    (#    104:10  Unique         2.14, 2.27 A)
 &rst
  ixpk= 104, nxpk= 10, iat=1049,1069, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 GLY  HA-          72 ILE  HN          4.50    (#    105:10  Unique         2.74, 4.83 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 474,
 &end
#
#   72 ILE  HB           72 ILE  HN          2.80    (#    106:10  Unique         2.57, 2.73 A)
 &rst
  ixpk= 106, nxpk= 10, iat=1073,1069, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 LYS  HG+          72 ILE  HN          4.50    (#    107:10  Unique         1.96, 3.41 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#   72 ILE  QD1          72 ILE  HN          4.50    (#    108:10  Unique         3.35, 4.74 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1082,1083,1084,
 &end
#
#   80 GLN  HA           81 ALA  HN          3.50    (#    113:10  Unique         2.17, 2.49 A)
 &rst
  ixpk= 113, nxpk= 10, iat=1198,1213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ALA  HA           81 ALA  HN          3.50    (#    114:10  Unique         2.28, 2.89 A)
 &rst
  ixpk= 114, nxpk= 10, iat=1215,1213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:115     81 ALA  HN          4.50    (#    115:10  Single Ambig)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1203,1204,1203,1204,
 &end
#
#    0 AMB  10-2:116     81 ALA  HN          3.50    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,1200,1201,
 &end
#
#   72 ILE  HA           66 ASP  HN          3.50    (#    121:10  Unique         2.73, 3.46 A)
 &rst
  ixpk= 121, nxpk= 10, iat=1071, 976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 VAL  HA           66 ASP  HN          2.80    (#    122:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 122, nxpk= 10, iat= 962, 976, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 ASP  HB+          66 ASP  HN          2.80    (#    123:10  Unique         2.14, 2.69 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:124     66 ASP  HN          4.50    (#    124:10  Single Ambig)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 964,1022,1023,
 &end
#
#    0 AMB  10-2:125     66 ASP  HN          3.50    (#    125:10  Single Ambig)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1079,1080,1051,1052,1057,1058,
 &end
#
#   72 ILE  HG1-         66 ASP  HN          4.50    (#    126:10  Unique         3.52, 4.96 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1079,1080,
 &end
#
#    0 AMB  10-2:127     66 ASP  HN          5.50    (#    127:10  Single Ambig)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1075,1076,1077, 921, 922, 923, 925, 926, 927,
 &end
#
#   66 ASP  HB-          66 ASP  HN          2.80    (#    128:10  Unique         2.14, 2.69 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 980, 981,
 &end
#
#   71 LYS  HB+          66 ASP  HN          5.50    (#    129:10  Unique         3.55, 4.69 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1051,1052,
 &end
#
#   62 VAL  HA           62 VAL  HN          3.50    (#    130:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 130, nxpk= 10, iat= 917, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 VAL  HA           62 VAL  HN          5.50    (#    131:10  Unique         3.21, 4.35 A)
 &rst
  ixpk= 131, nxpk= 10, iat= 100, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 VAL  HB           62 VAL  HN          2.80    (#    132:10  Unique         2.48, 2.72 A)
 &rst
  ixpk= 132, nxpk= 10, iat= 919, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 LYS  HB+          62 VAL  HN          4.50    (#    133:10  Unique         2.26, 3.41 A)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 898,
 &end
#
#   61 LYS  HB-          62 VAL  HN          4.50    (#    134:10  Unique         2.26, 3.41 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 898,
 &end
#
#   61 LYS  HG+          62 VAL  HN          2.80    (#    135:10  Unique         3.76, 4.78 A)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 900, 901,
 &end
#
#    0 AMB  10-2:136     62 VAL  HN          2.80    (#    136:10  Single Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 900, 901, 104, 105, 106, 108, 109, 110,
 &end
#
#   62 VAL  MGY          62 VAL  HN          2.80    (#    137:10  Unique         1.94, 3.83 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#   62 VAL  MGX          62 VAL  HN          2.80    (#    138:10  Unique         1.94, 3.83 A)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#   36 HIS  HA           37 ILE  HN          2.80    (#    140:10  Unique         2.17, 2.25 A)
 &rst
  ixpk= 140, nxpk= 10, iat= 515, 530, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 GLY  HA+          37 ILE  HN          3.50    (#    141:10  Unique         2.77, 3.55 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 318, 319,
 &end
#
#   37 ILE  HA           37 ILE  HN          2.80    (#    142:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 142, nxpk= 10, iat= 532, 530, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 GLY  HA-          37 ILE  HN          3.50    (#    143:10  Unique         2.77, 3.55 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 318, 319,
 &end
#
#   36 HIS  HB+          37 ILE  HN          4.50    (#    144:10  Unique         2.64, 3.70 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 517, 518,
 &end
#
#   36 HIS  HB-          37 ILE  HN          4.50    (#    145:10  Unique         2.64, 3.70 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 517, 518,
 &end
#
#   37 ILE  HB           37 ILE  HN          2.80    (#    146:10  Unique         2.44, 2.56 A)
 &rst
  ixpk= 146, nxpk= 10, iat= 534, 530, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:147     37 ILE  HN          4.50    (#    147:10  Single Ambig)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 543, 544, 545, 487, 488, 489, 491, 492, 493,
 &end
#
#   37 ILE  QG2          37 ILE  HN          2.80    (#    148:10  Unique         1.95, 2.96 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 536, 537, 538,
 &end
#
#    0 AMB  10-2:149      0 AMB  10-1:149    2.80    (#    149:10  Double Ambig)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1452,1430,
 igr2=1460,1450,
 &end
#
#   96 ALA  MB           96 ALA  HN          2.80    (#    151:10  Unique         2.09, 3.01 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1464,1465,1466,
 &end
#
#   25 VAL  HA           15 VAL  HN          4.50    (#    153:10  Unique         4.24, 4.52 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 355, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 VAL  MGX          15 VAL  HN          4.50    (#    154:10  Unique         3.21, 4.98 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   67 GLU  HG-          67 GLU  HN          4.50    (#    155:10  Unique         2.09, 3.11 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 995, 996,
 &end
#
#   67 GLU  HA           67 GLU  HN          3.50    (#    156:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 990, 988, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 ASP  HB+          67 GLU  HN          4.50    (#    157:10  Unique         3.96, 4.36 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   66 ASP  HB-          67 GLU  HN          4.50    (#    158:10  Unique         3.96, 4.36 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   67 GLU  HB-          67 GLU  HN          2.80    (#    159:10  Unique         2.21, 3.00 A)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 992, 993,
 &end
#
#   39 GLU  HA           40 VAL  HN          4.50    (#    162:10  Unique         2.85, 3.21 A)
 &rst
  ixpk= 162, nxpk= 10, iat= 562, 575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:163     40 VAL  HN          4.50    (#    163:10  Single Ambig)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 551, 593,
 &end
#
#   37 ILE  HA           40 VAL  HN          4.50    (#    164:10  Unique         3.20, 3.71 A)
 &rst
  ixpk= 164, nxpk= 10, iat= 532, 575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 VAL  HA           40 VAL  HN          3.50    (#    165:10  Unique         2.79, 2.89 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 577, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:166     40 VAL  HN          5.50    (#    166:10  Single Ambig)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1158,1159, 517, 518,
 &end
#
#    0 AMB  10-2:167     40 VAL  HN          5.50    (#    167:10  Single Ambig)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 501,1133,
 &end
#
#   77 ARG  HB+          40 VAL  HN          4.50    (#    168:10  Unique         3.69, 5.24 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#   40 VAL  MGY          40 VAL  HN          2.80    (#    169:10  Unique         2.26, 3.93 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 581, 582, 583, 585, 586, 587,
 &end
#
#   45 VAL  MGX          40 VAL  HN          7.00    (#    170:10  Unique         4.12, 7.20 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#    0 AMB  10-2:171     40 VAL  HN          2.80    (#    171:10  Single Ambig)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 581, 582, 583, 585, 586, 587,1152,1153,
 &end
#
#    0 AMB  10-2:172     40 VAL  HN          3.50    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 597, 598, 599, 601, 655, 656, 657, 659, 660, 661,
      
 &end
#
#   15 VAL  HA           15 VAL  HN          3.50    (#    173:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:174     15 VAL  HN          4.50    (#    174:10  Single Ambig)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 796, 185, 186,
 &end
#
#   56 ASP  HB+          15 VAL  HN          4.50    (#    175:10  Unique         4.27, 4.95 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   15 VAL  HB           15 VAL  HN          2.80    (#    176:10  Unique         2.59, 2.65 A)
 &rst
  ixpk= 176, nxpk= 10, iat= 216, 212, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:177     15 VAL  HN          2.80    (#    177:10  Single Ambig)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 194, 195, 194, 195, 200, 201,
 &end
#
#    0 AMB  10-2:178     15 VAL  HN          3.50    (#    178:10  Single Ambig)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 197, 198, 768, 769,
 &end
#
#   15 VAL  MGY          15 VAL  HN          2.80    (#    179:10  Unique         1.96, 3.69 A)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  10-2:180     15 VAL  HN          2.80    (#    180:10  Single Ambig)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 218, 219, 220, 222, 223, 224, 850, 851, 852, 854,
       855, 856,
 &end
#
#   58 VAL  MGX          15 VAL  HN          3.50    (#    181:10  Unique         2.56, 5.02 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   25 VAL  MGY          15 VAL  HN          4.50    (#    182:10  Unique         3.21, 4.98 A)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   35 VAL  HA           74 LEU  HN          3.50    (#    183:10  Unique         2.70, 3.13 A)
 &rst
  ixpk= 183, nxpk= 10, iat= 499,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:184     74 LEU  HN          5.50    (#    184:10  Single Ambig)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 921, 922, 923, 925, 926, 927,1142,1143,1144, 581,
       582, 583, 585, 586, 587,
 &end
#
#   73 SER  HB+          74 LEU  HN          3.50    (#    185:10  Unique         3.03, 3.96 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1092,1093,
 &end
#
#   74 LEU  HB+          74 LEU  HN          2.80    (#    186:10  Unique         2.68, 3.26 A)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1103,1104,
 &end
#
#   74 LEU  HG           74 LEU  HN          4.50    (#    187:10  Unique         2.15, 2.43 A)
 &rst
  ixpk= 187, nxpk= 10, iat=1106,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  HB-          74 LEU  HN          3.50    (#    188:10  Unique         2.68, 3.26 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1103,1104,
 &end
#
#    0 AMB  10-2:189     74 LEU  HN          3.50    (#    189:10  Single Ambig)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1108,1109,1110,1112,1113,1114, 503, 504, 505, 507,
       508, 509, 940, 941, 942, 944, 945, 946,1075,1076,
      1077,
 &end
#
#   74 LEU  MDY          74 LEU  HN          3.50    (#    190:10  Unique         2.93, 4.46 A)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1108,1109,1110,1112,1113,1114,
 &end
#
#   11 TYR  HB+          11 TYR  HN          3.50    (#    192:10  Unique         2.07, 2.98 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 152, 153,
 &end
#
#   11 TYR  HB-          11 TYR  HN          3.50    (#    193:10  Unique         2.07, 2.98 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 152, 153,
 &end
#
#    0 AMB  10-2:194     11 TYR  HN          4.50    (#    194:10  Single Ambig)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 136, 881,
 &end
#
#   61 LYS  HG+          11 TYR  HN          5.50    (#    195:10  Unique         3.67, 5.85 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 900, 901,
 &end
#
#    0 AMB  10-2:196     11 TYR  HN          2.80    (#    196:10  Single Ambig)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   27 LEU  MDY          11 TYR  HN          4.50    (#    197:10  Unique         4.81, 7.03 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   89 LYS  HA           89 LYS  HN          4.50    (#    201:10  Unique         2.27, 2.76 A)
 &rst
  ixpk= 201, nxpk= 10, iat=1334,1332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 SER  HA           54 VAL  HN          2.80    (#    202:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 202, nxpk= 10, iat= 785, 794, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 SER  HB+          54 VAL  HN          3.50    (#    203:10  Unique         2.88, 3.81 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#   53 SER  HB-          54 VAL  HN          4.50    (#    204:10  Unique         2.88, 3.81 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#   54 VAL  HA           54 VAL  HN          3.50    (#    205:10  Unique         2.80, 2.84 A)
 &rst
  ixpk= 205, nxpk= 10, iat= 796, 794, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 VAL  HB           54 VAL  HN          2.80    (#    206:10  Unique         2.46, 2.57 A)
 &rst
  ixpk= 206, nxpk= 10, iat= 798, 794, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:207     54 VAL  HN          4.50    (#    207:10  Single Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 256, 768, 769,
 &end
#
#   54 VAL  MGY          54 VAL  HN          2.80    (#    208:10  Unique         1.96, 3.76 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 800, 801, 802, 804, 805, 806,
 &end
#
#   88 SER  HA           89 LYS  HN          4.50    (#    209:10  Unique         2.14, 2.64 A)
 &rst
  ixpk= 209, nxpk= 10, iat=1323,1332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 ILE  HA           73 SER  HN          2.80    (#    211:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 211, nxpk= 10, iat=1071,1088, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 VAL  HA           73 SER  HN          3.50    (#    212:10  Unique         2.90, 3.35 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 962,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:213     73 SER  HN          2.80    (#    213:10  Single Ambig)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1092,1093,1092,1093,
 &end
#
#    0 AMB  10-2:214      0 AMB  10-1:214    2.80    (#    214:10  Double Ambig)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 258, 259, 260, 262, 263, 264,1075,1076,1077, 921,
       922, 923, 925, 926, 927,
 igr2= 249,1088,
 &end
#
#    0 AMB  10-2:215     86 LYS  HN          2.80    (#    215:10  Single Ambig)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1264,1286,
 &end
#
#   54 VAL  HB           18 LEU  HN          5.50    (#    221:10  Unique         2.64, 4.15 A)
 &rst
  ixpk= 221, nxpk= 10, iat= 798, 249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:222      0 AMB  10-1:222    2.80    (#    222:10  Double Ambig)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 253, 254,1057,1058,
 igr2= 249,1088,
 &end
#
#   18 LEU  HG           18 LEU  HN          3.50    (#    223:10  Unique         1.95, 3.34 A)
 &rst
  ixpk= 223, nxpk= 10, iat= 256, 249, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:224      0 AMB  10-1:224    3.50    (#    224:10  Double Ambig)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 800, 801, 802, 804, 805, 806, 800, 801, 802, 804,
       805, 806, 921, 922, 923, 925, 926, 927,
 igr2= 249,1088,
 &end
#
#   84 GLU  HA           85 LYS  HN          3.50    (#    227:10  Unique         2.16, 2.49 A)
 &rst
  ixpk= 227, nxpk= 10, iat=1249,1262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:228     85 LYS  HN          4.50    (#    228:10  Single Ambig)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1251,1252,1251,1252,
 &end
#
#   17 GLY  HA+          18 LEU  HN          2.80    (#    229:10  Unique         2.14, 2.64 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 244, 245,
 &end
#
#   17 GLY  HA-          18 LEU  HN          2.80    (#    230:10  Unique         2.14, 2.64 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 244, 245,
 &end
#
#   18 LEU  HB-          18 LEU  HN          2.80    (#    231:10  Unique         2.24, 3.01 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 253, 254,
 &end
#
#   99 SER  HA          100 GLU  HN          4.50    (#    232:10  Unique         2.14, 2.32 A)
 &rst
  ixpk= 232, nxpk= 10, iat=1505,1514, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:233    115 LEU  HN          2.80    (#    233:10  Single Ambig)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1720,1742,
 &end
#
#    0 AMB  10-2:234    115 LEU  HN          2.80    (#    234:10  Single Ambig)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1747,1744,1745,1744,1745,
 &end
#
#  119 ILE  HA          120 GLU  HN          3.50    (#    235:10  Unique         2.16, 2.46 A)
 &rst
  ixpk= 235, nxpk= 10, iat=1815,1832, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 GLU  HB-         120 GLU  HN          3.50    (#    236:10  Unique         2.11, 3.17 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1836,1837,
 &end
#
#  119 ILE  HB          120 GLU  HN          4.50    (#    237:10  Unique         2.22, 3.80 A)
 &rst
  ixpk= 237, nxpk= 10, iat=1817,1832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 ILE  HA           77 ARG  HN          4.50    (#    238:10  Unique         3.40, 3.47 A)
 &rst
  ixpk= 238, nxpk= 10, iat=1131,1148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:239     77 ARG  HN          4.50    (#    239:10  Single Ambig)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 562, 607,
 &end
#
#    0 AMB  10-2:241     77 ARG  HN          4.50    (#    241:10  Single Ambig)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1139,1140,1139,1140,
 &end
#
#    0 AMB  10-2:242     77 ARG  HN          5.50    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1176,1177,1178, 897, 898,
 &end
#
#   77 ARG  HA           77 ARG  HN          2.80    (#    243:10  Unique         2.77, 2.82 A)
 &rst
  ixpk= 243, nxpk= 10, iat=1150,1148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 VAL  HA           77 ARG  HN          5.50    (#    244:10  Unique         2.70, 2.97 A)
 &rst
  ixpk= 244, nxpk= 10, iat= 577,1148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 ILE  HB           77 ARG  HN          3.50    (#    245:10  Unique         2.51, 2.93 A)
 &rst
  ixpk= 245, nxpk= 10, iat=1133,1148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 ARG  HG+          77 ARG  HN          3.50    (#    246:10  Unique         1.97, 2.84 A)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1155,1156,
 &end
#
#   77 ARG  HB+          77 ARG  HN          2.80    (#    247:10  Unique         2.33, 3.04 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1152,1153,
 &end
#
#    0 AMB  10-2:248     77 ARG  HN          2.80    (#    248:10  Single Ambig)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1155,1156,1152,1153,
 &end
#
#    0 AMB  10-2:249     77 ARG  HN          5.50    (#    249:10  Single Ambig)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 581, 582, 583, 585, 586, 587, 771, 883, 884, 885,
       887, 888, 889,
 &end
#
#   34 LEU  MDY          25 VAL  HN          5.50    (#    253:10  Unique         4.34, 7.11 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   25 VAL  HA           25 VAL  HN          3.50    (#    254:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 254, nxpk= 10, iat= 355, 353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLN  HB-          25 VAL  HN          5.50    (#    255:10  Unique         3.03, 4.38 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 458, 459,
 &end
#
#   25 VAL  HB           25 VAL  HN          2.80    (#    256:10  Unique         2.62, 2.76 A)
 &rst
  ixpk= 256, nxpk= 10, iat= 357, 353, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:257     25 VAL  HN          4.50    (#    257:10  Single Ambig)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1108,1109,1110,1112,1113,1114, 503, 504, 505, 507,
       508, 509,
 &end
#
#   25 VAL  MGX          25 VAL  HN          2.80    (#    258:10  Unique         2.58, 4.18 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  MGY          25 VAL  HN          4.50    (#    259:10  Unique         2.58, 4.18 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   24 PHE  HB+          25 VAL  HN          3.50    (#    260:10  Unique         2.83, 3.80 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#   24 PHE  HB-          25 VAL  HN          3.50    (#    261:10  Unique         2.83, 3.80 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#    0 AMB  10-2:262     25 VAL  HN          4.50    (#    262:10  Single Ambig)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 461, 462, 461, 462,
 &end
#
#    0 AMB  10-2:263     24 PHE  HN          3.50    (#    263:10  Single Ambig)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 258, 259, 260, 262, 263, 264, 503, 504, 505, 507,
       508, 509,
 &end
#
#   24 PHE  HB+          24 PHE  HN          2.80    (#    264:10  Unique         2.14, 2.88 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 337, 338,
 &end
#
#   24 PHE  HB-          24 PHE  HN          2.80    (#    265:10  Unique         2.14, 2.88 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 337, 338,
 &end
#
#   23 ALA  MB           24 PHE  HN          3.50    (#    266:10  Unique         2.43, 3.49 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 327, 328, 329,
 &end
#
#   34 LEU  MDY          24 PHE  HN          4.50    (#    267:10  Unique         3.78, 7.10 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   62 VAL  MGX           7 VAL  HN          3.50    (#    268:10  Unique         3.06, 5.75 A)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#    7 VAL  HA            7 VAL  HN          2.80    (#    269:10  Unique         2.75, 2.82 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:271      0 AMB  10-1:271    2.80    (#    271:10  Double Ambig)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  87,  88,  87,  88, 833, 834,
 igr2=  98, 829,
 &end
#
#    7 VAL  MGX           7 VAL  HN          2.80    (#    272:10  Unique         1.94, 3.41 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  10-2:273      7 VAL  HN          2.80    (#    273:10  Single Ambig)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 104, 105, 106, 108, 109, 110, 966, 967, 968, 970,
       971, 972, 966, 967, 968, 970, 971, 972,
 &end
#
#    0 AMB  10-2:279     87 GLU  HN          2.80    (#    279:10  Single Ambig)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1286,1308,
 &end
#
#   56 ASP  HA           57 GLU  HN          2.80    (#    283:10  Unique         2.18, 2.24 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 819, 829, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 ASP  HB+          57 GLU  HN          3.50    (#    284:10  Unique         2.81, 3.84 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   56 ASP  HB-          57 GLU  HN          3.50    (#    285:10  Unique         2.81, 3.84 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   57 GLU  HG+          57 GLU  HN          4.50    (#    286:10  Unique         4.22, 4.46 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 836, 837,
 &end
#
#   14 LYS  HG-          57 GLU  HN          4.50    (#    287:10  Unique         3.56, 4.92 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 197, 198,
 &end
#
#    0 AMB  10-2:288      0 AMB  10-1:288    4.50    (#    288:10  Double Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1372,1373,1372,1373,1288,1289,1288,1289,
 igr2=1368,1306,
 &end
#
#    0 AMB  10-2:291      0 AMB  10-1:291    2.80    (#    291:10  Double Ambig)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  65,1364,  85,
 igr2=  83,1368,
 &end
#
#   90 PRO  HB-          91 ARG  HN          2.80    (#    292:10  Unique         2.08, 3.46 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1361,1362,
 &end
#
#   11 TYR  HB-           6 GLU  HN          7.00    (#    294:10  Unique         6.60, 8.75 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 152, 153,
 &end
#
#    0 AMB  10-2:295      0 AMB  10-1:295    2.80    (#    295:10  Double Ambig)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1358,1359,1358,1359,  87,  88,  87,  88,
 igr2=1368,  83,
 &end
#
#    0 AMB  10-2:296      6 GLU  HN          4.50    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 921, 922, 923, 925, 926, 927, 104, 105, 106, 108,
       109, 110, 966, 967, 968, 970, 971, 972, 966, 967,
       968, 970, 971, 972,
 &end
#
#    5 PHE  HB-           6 GLU  HN          4.50    (#    297:10  Unique         2.17, 3.99 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#   62 VAL  MGX           6 GLU  HN          4.50    (#    298:10  Unique         4.22, 7.31 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  10-2:299      0 AMB  10-1:299    2.80    (#    299:10  Double Ambig)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1516,1430,
 igr2=1529,1428,
 &end
#
#   26 ALA  MB           16 THR  HN          4.50    (#    304:10  Unique         4.85, 6.07 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 373, 374, 375,
 &end
#
#   76 ILE  HA           61 LYS  HN          4.50    (#    305:10  Unique         3.30, 4.34 A)
 &rst
  ixpk= 305, nxpk= 10, iat=1131, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:306     61 LYS  HN          4.50    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1122,1123, 152, 153,
 &end
#
#   60 VAL  HB           61 LYS  HN          3.50    (#    307:10  Unique         1.99, 2.59 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 881, 893, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LYS  HB-          61 LYS  HN          2.80    (#    308:10  Unique         2.49, 3.39 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 897, 898,
 &end
#
#    0 AMB  10-2:309     61 LYS  HN          3.50    (#    309:10  Single Ambig)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 900, 901,1188,1189,1190,
 &end
#
#    0 AMB  10-2:310     61 LYS  HN          2.80    (#    310:10  Single Ambig)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 897, 898,1103,1104,
 &end
#
#    0 AMB  10-2:311     61 LYS  HN          4.50    (#    311:10  Single Ambig)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1142,1143,1144, 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  10-2:312     61 LYS  HN          3.50    (#    312:10  Single Ambig)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  10-2:314    101 GLU  HN          3.50    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1518,1519,1533,1534,
 &end
#
#  118 TRP  HA          118 TRP  HN          4.50    (#    315:10  Unique         2.27, 2.76 A)
 &rst
  ixpk= 315, nxpk= 10, iat=1791,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:316    118 TRP  HN          4.50    (#    316:10  Single Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1778,1779,1778,1779,
 &end
#
#   41 THR  HA           42 HIS  HN          4.50    (#    317:10  Unique         2.17, 2.36 A)
 &rst
  ixpk= 317, nxpk= 10, iat= 593, 605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 HIS  HB+          42 HIS  HN          4.50    (#    318:10  Unique         2.20, 2.89 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 609, 610,
 &end
#
#   41 THR  HG1          42 HIS  HN          5.50    (#    319:10  Unique         1.97, 3.14 A)
 &rst
  ixpk= 319, nxpk= 10, iat= 601, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  127 LEU  HA          128 ILE  HN          3.50    (#    320:10  Unique         2.14, 2.24 A)
 &rst
  ixpk= 320, nxpk= 10, iat=1949,1966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 ASP  HA           56 ASP  HN          3.50    (#    321:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 321, nxpk= 10, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLY  HA-          56 ASP  HN          3.50    (#    322:10  Unique         2.95, 3.25 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 812, 813,
 &end
#
#   54 VAL  HA           56 ASP  HN          3.50    (#    323:10  Unique         3.24, 3.35 A)
 &rst
  ixpk= 323, nxpk= 10, iat= 796, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 ASP  HB+          56 ASP  HN          2.80    (#    324:10  Unique         2.42, 2.89 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 821, 822,
 &end
#
#   56 ASP  HB-          56 ASP  HN          2.80    (#    325:10  Unique         2.42, 2.89 A)
 &rst
  ixpk= 325, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 821, 822,
 &end
#
#   15 VAL  HB           56 ASP  HN          2.80    (#    326:10  Unique         2.25, 2.49 A)
 &rst
  ixpk= 326, nxpk= 10, iat= 216, 817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 VAL  MGY          56 ASP  HN          2.80    (#    327:10  Unique         2.73, 4.52 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  10-2:328     56 ASP  HN          2.80    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 218, 219, 220, 222, 223, 224, 800, 801, 802, 804,
       805, 806,
 &end
#
#   24 PHE  HB+          16 THR  HN          4.50    (#    329:10  Unique         3.04, 4.02 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 337, 338,
 &end
#
#   24 PHE  HB-          16 THR  HN          4.50    (#    330:10  Unique         3.04, 4.02 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 337, 338,
 &end
#
#   25 VAL  HA           16 THR  HN          2.80    (#    331:10  Unique         2.59, 2.96 A)
 &rst
  ixpk= 331, nxpk= 10, iat= 355, 228, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 VAL  HA           16 THR  HN          2.80    (#    332:10  Unique         2.14, 2.22 A)
 &rst
  ixpk= 332, nxpk= 10, iat= 214, 228, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 VAL  HB           16 THR  HN          4.50    (#    333:10  Unique         3.74, 3.89 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 216, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:334     16 THR  HN          2.80    (#    334:10  Single Ambig)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 234, 235, 236, 238,
 &end
#
#   15 VAL  MGY          16 THR  HN          2.80    (#    335:10  Unique         2.05, 3.99 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#   15 VAL  MGX          16 THR  HN          2.80    (#    336:10  Unique         2.05, 3.99 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#   25 VAL  MGX          16 THR  HN          3.50    (#    337:10  Unique         3.18, 5.31 A)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   25 VAL  MGY          16 THR  HN          4.50    (#    338:10  Unique         3.18, 5.31 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   84 GLU  HA           84 GLU  HN          3.50    (#    339:10  Unique         2.27, 2.84 A)
 &rst
  ixpk= 339, nxpk= 10, iat=1249,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 THR  HB           42 HIS  HN          4.50    (#    341:10  Unique         2.61, 3.63 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 595, 605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 HIS  HA           42 HIS  HN          4.50    (#    342:10  Unique         2.76, 2.83 A)
 &rst
  ixpk= 342, nxpk= 10, iat= 607, 605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 HIS  HB-          42 HIS  HN          3.50    (#    343:10  Unique         2.20, 2.89 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 609, 610,
 &end
#
#  128 ILE  HB          128 ILE  HN          4.50    (#    344:10  Unique         2.54, 3.20 A)
 &rst
  ixpk= 344, nxpk= 10, iat=1970,1966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:345     80 GLN  HN          3.50    (#    345:10  Single Ambig)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1184,1174,
 &end
#
#   77 ARG  HA           80 GLN  HN          4.50    (#    346:10  Unique         3.13, 3.80 A)
 &rst
  ixpk= 346, nxpk= 10, iat=1150,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:347     80 GLN  HN          2.80    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1203,1204,1203,1204,
 &end
#
#    0 AMB  10-2:348     80 GLN  HN          2.80    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1200,1201,1200,1201,
 &end
#
#    0 AMB  10-2:349     80 GLN  HN          4.50    (#    349:10  Single Ambig)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1188,1189,1190,1227,1228,1229,
 &end
#
#   80 GLN  HA           80 GLN  HN          3.50    (#    350:10  Unique         2.83, 2.92 A)
 &rst
  ixpk= 350, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:351     80 GLN  HN          5.50    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1176,1177,1178, 897, 898,
 &end
#
#    0 AMB  10-2:361      0 AMB  10-1:361    3.50    (#    361:10  Double Ambig)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1667,1720,
 igr2=1684,1718,
 &end
#
#    9 SER  HB+          10 VAL  HN          2.80    (#    362:10  Unique         1.95, 2.90 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 125, 126,
 &end
#
#  118 TRP  HA          117 GLU  HN          7.00    (#    367:10  Unique         4.16, 5.10 A)
 &rst
  ixpk= 367, nxpk= 10, iat=1791,1774, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 LYS  HG+           4 LYS  HN          4.50    (#    368:10  Unique         1.98, 3.63 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,  41, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#    3 ALA  HA            4 LYS  HN          4.50    (#    369:10  Unique         2.14, 2.26 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  33,  41, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HA            4 LYS  HN          3.50    (#    370:10  Unique         2.86, 2.93 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  43,  41, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 LYS  HB+           4 LYS  HN          3.50    (#    371:10  Unique         2.25, 3.06 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1,  41, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  45,  46,
 &end
#
#    0 AMB  10-2:372      4 LYS  HN          2.80    (#    372:10  Single Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,  41, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=  35,  36,  37,  45,  46,
 &end
#
#    0 AMB  10-2:373      0 AMB  10-1:373    3.50    (#    373:10  Double Ambig)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1708, 473, 474,
 igr2=1718, 478,
 &end
#
#    9 SER  HA           10 VAL  HN          2.80    (#    374:10  Unique         2.23, 2.48 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 123, 132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 SER  HB-          10 VAL  HN          2.80    (#    375:10  Unique         1.95, 2.90 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 125, 126,
 &end
#
#   10 VAL  HB           10 VAL  HN          3.50    (#    376:10  Unique         2.55, 2.77 A)
 &rst
  ixpk= 376, nxpk= 10, iat= 136, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:377     10 VAL  HN          2.80    (#    377:10  Single Ambig)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  10-2:381      0 AMB  10-1:381    3.50    (#    381:10  Double Ambig)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 867, 868,1781,1782,1781,1782,
 igr2= 860,1774,
 &end
#
#   58 VAL  HB           59 GLN  HN          2.80    (#    382:10  Unique         2.09, 3.40 A)
 &rst
  ixpk= 382, nxpk= 10, iat= 848, 860, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:383      0 AMB  10-1:383    2.80    (#    383:10  Double Ambig)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1688,1689,1688,1689, 864, 865,
 igr2=1706, 860,
 &end
#
#   60 VAL  MGY          59 GLN  HN          4.50    (#    386:10  Unique         3.26, 5.83 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 883, 884, 885, 887, 888, 889,
 &end
#
#    0 AMB  10-2:387    113 ASP  HN          4.50    (#    387:10  Single Ambig)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1710,1711,1710,1711,
 &end
#
#   33 GLY  HA-          34 LEU  HN          2.80    (#    389:10  Unique         2.33, 2.57 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 473, 474,
 &end
#
#    0 AMB  10-2:391      0 AMB  10-1:391    2.80    (#    391:10  Double Ambig)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1725,1726,1725,1726,1106,
 igr2=1718, 478,
 &end
#
#   34 LEU  HB-          34 LEU  HN          2.80    (#    392:10  Unique         2.57, 3.09 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 482, 483,
 &end
#
#    0 AMB  10-2:393     34 LEU  HN          4.50    (#    393:10  Single Ambig)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1103,1104, 485,
 &end
#
#   74 LEU  MDY          34 LEU  HN          3.50    (#    395:10  Unique         2.31, 4.45 A)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1108,1109,1110,1112,1113,1114,
 &end
#
#    0 AMB  10-2:396     34 LEU  HN          3.50    (#    396:10  Single Ambig)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1108,1109,1110,1112,1113,1114,1075,1076,1077,
 &end
#
#   34 LEU  MDY          34 LEU  HN          4.50    (#    397:10  Unique         4.71, 5.53 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   19 GLN  HA           20 ALA  HN          3.50    (#    398:10  Unique         2.28, 2.58 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 270, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 ALA  HA           20 ALA  HN          4.50    (#    399:10  Unique         2.28, 2.80 A)
 &rst
  ixpk= 399, nxpk= 10, iat= 287, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLN  HB+          20 ALA  HN          3.50    (#    400:10  Unique         1.95, 3.02 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 272, 273,
 &end
#
#   19 GLN  HB-          20 ALA  HN          4.50    (#    401:10  Unique         1.95, 3.02 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 272, 273,
 &end
#
#   20 ALA  MB           20 ALA  HN          2.80    (#    402:10  Unique         2.08, 2.98 A)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 289, 290, 291,
 &end
#
#  115 LEU  HA          116 GLU  HN          3.50    (#    403:10  Unique         2.14, 2.35 A)
 &rst
  ixpk= 403, nxpk= 10, iat=1742,1759, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLN  HG-          19 GLN  HN          3.50    (#    408:10  Unique         2.56, 4.00 A)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 275, 276,
 &end
#
#   19 GLN  HG+          19 GLN  HN          3.50    (#    409:10  Unique         2.56, 4.00 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 275, 276,
 &end
#
#    0 AMB  10-2:410     19 GLN  HN          2.80    (#    410:10  Single Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 272, 273, 327, 328, 329,
 &end
#
#   18 LEU  MDX          19 GLN  HN          3.50    (#    411:10  Unique         1.96, 5.14 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 258, 259, 260, 262, 263, 264,
 &end
#
#   19 GLN  HB+          19 GLN  HN          3.50    (#    412:10  Unique         2.26, 3.17 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 272, 273,
 &end
#
#   18 LEU  HB+          19 GLN  HN          3.50    (#    413:10  Unique         2.42, 3.65 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 253, 254,
 &end
#
#   18 LEU  HB-          19 GLN  HN          2.80    (#    414:10  Unique         2.42, 3.65 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 253, 254,
 &end
#
#    0 AMB  10-2:415      0 AMB  10-1:415    3.50    (#    415:10  Double Ambig)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1915,1462,
 igr2=1935,1470,
 &end
#
#   44 PHE  HB-          44 PHE  HN          2.80    (#    416:10  Unique         2.32, 3.05 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 633, 634,
 &end
#
#   44 PHE  HB+          44 PHE  HN          3.50    (#    417:10  Unique         2.32, 3.05 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 633, 634,
 &end
#
#    0 AMB  10-2:418     65 VAL  HN          2.80    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972, 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  10-2:419     65 VAL  HN          2.80    (#    419:10  Single Ambig)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 952, 962,
 &end
#
#    0 AMB  10-2:420     65 VAL  HN          4.50    (#    420:10  Single Ambig)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 964, 102,
 &end
#
#   64 ALA  MB           65 VAL  HN          2.80    (#    421:10  Unique         2.18, 3.60 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 954, 955, 956,
 &end
#
#    7 VAL  MGX          65 VAL  HN          2.80    (#    422:10  Unique         2.47, 5.24 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#  126 ASP  HA          126 ASP  HN          4.50    (#    423:10  Unique         2.28, 2.81 A)
 &rst
  ixpk= 423, nxpk= 10, iat=1937,1935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  HA           44 PHE  HN          3.50    (#    424:10  Unique         2.83, 2.93 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:425     44 PHE  HN          2.80    (#    425:10  Single Ambig)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 624, 625, 624, 625,
 &end
#
#   69 LYS  HA           68 GLU  HN          5.50    (#    426:10  Unique         5.00, 5.25 A)
 &rst
  ixpk= 426, nxpk= 10, iat=1020,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:427      0 AMB  10-1:427    2.80    (#    427:10  Double Ambig)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1489,1005,
 igr2=1503,1003,
 &end
#
#   68 GLU  HG-          68 GLU  HN          2.80    (#    428:10  Unique         1.98, 3.15 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1010,1011,
 &end
#
#    0 AMB  10-2:429     68 GLU  HN          2.80    (#    429:10  Single Ambig)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1007,1008,1007,1008,
 &end
#
#   69 LYS  HB-          68 GLU  HN          5.50    (#    430:10  Unique         4.26, 5.20 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1022,1023,
 &end
#
#   66 ASP  HB-          68 GLU  HN          4.50    (#    431:10  Unique         3.37, 4.63 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#  125 LYS  HA          126 ASP  HN          4.50    (#    432:10  Unique         2.14, 2.41 A)
 &rst
  ixpk= 432, nxpk= 10, iat=1915,1935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HG-           5 PHE  HN          5.50    (#    434:10  Unique         2.24, 4.56 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  48,  49,
 &end
#
#   72 ILE  QD1           5 PHE  HN          5.50    (#    435:10  Unique         5.50,10.22 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1082,1083,1084,
 &end
#
#    0 AMB  10-2:436      5 PHE  HN          2.80    (#    436:10  Single Ambig)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=  45,  46,  35,  36,  37,
 &end
#
#    5 PHE  HA            5 PHE  HN          3.50    (#    437:10  Unique         2.28, 2.81 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  65,  63, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 LYS  HA            5 PHE  HN          3.50    (#    438:10  Unique         3.09, 3.40 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  43,  63, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HB-           5 PHE  HN          3.50    (#    439:10  Unique         2.18, 3.00 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  67,  68,
 &end
#
#    5 PHE  HB+           5 PHE  HN          3.50    (#    440:10  Unique         2.18, 3.00 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  67,  68,
 &end
#
#    4 LYS  HB+           5 PHE  HN          4.50    (#    441:10  Unique         2.15, 3.60 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  45,  46,
 &end
#
#    4 LYS  HG+           5 PHE  HN          5.50    (#    442:10  Unique         2.24, 4.56 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  48,  49,
 &end
#
#    0 AMB  10-2:443      5 PHE  HN          4.50    (#    443:10  Single Ambig)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 921, 922, 923, 925, 926, 927, 966, 967, 968, 970,
       971, 972, 966, 967, 968, 970, 971, 972,
 &end
#
#    0 AMB  10-2:447     23 ALA  HN          4.50    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 709, 710, 709, 710,
 &end
#
#    0 AMB  10-2:448      0 AMB  10-1:448    2.80    (#    448:10  Double Ambig)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1308, 318, 319,
 igr2=1321, 323,
 &end
#
#   22 GLY  HA-          23 ALA  HN          2.80    (#    449:10  Unique         2.16, 2.58 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 318, 319,
 &end
#
#    0 AMB  10-2:450     23 ALA  HN          5.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 534, 253, 254, 768, 769,
 &end
#
#   23 ALA  MB           23 ALA  HN          2.80    (#    451:10  Unique         2.29, 3.03 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 327, 328, 329,
 &end
#
#    0 AMB  10-2:452      0 AMB  10-1:452    2.80    (#    452:10  Double Ambig)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 712, 713, 714, 581, 582, 583, 585, 586, 587,
 igr2= 323, 560,
 &end
#
#   34 LEU  MDY          23 ALA  HN          2.80    (#    453:10  Unique         2.71, 5.94 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   18 LEU  HG           49 ASN  HN          7.00    (#    454:10  Unique         3.78, 6.15 A)
 &rst
  ixpk= 454, nxpk= 10, iat= 256, 718, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:455     49 ASN  HN          2.80    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 720, 689,
 &end
#
#    0 AMB  10-2:456     49 ASN  HN          5.50    (#    456:10  Single Ambig)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 287, 734,
 &end
#
#   49 ASN  HB+          49 ASN  HN          2.80    (#    458:10  Unique         2.32, 3.17 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 722, 723,
 &end
#
#    0 AMB  10-2:459     49 ASN  HN          2.80    (#    459:10  Single Ambig)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 722, 723, 691, 692,
 &end
#
#   50 GLU  HG+          49 ASN  HN          4.50    (#    460:10  Unique         3.91, 4.86 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 739, 740,
 &end
#
#   48 ILE  HB           49 ASN  HN          4.50    (#    461:10  Unique         3.91, 4.06 A)
 &rst
  ixpk= 461, nxpk= 10, iat= 703, 718, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:462     23 ALA  HN          4.50    (#    462:10  Single Ambig)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 581, 582, 583, 585, 586, 587,1142,1143,1144, 705,
       706, 707,
 &end
#
#   75 SER  HB+          78 ALA  HN          4.50    (#    463:10  Unique         2.24, 3.60 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1122,1123,
 &end
#
#   75 SER  HB-          78 ALA  HN          5.50    (#    464:10  Unique         2.24, 3.60 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1122,1123,
 &end
#
#   61 LYS  HB+          78 ALA  HN          4.50    (#    465:10  Unique         4.43, 7.28 A)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 898,
 &end
#
#   77 ARG  HG+          78 ALA  HN          3.50    (#    466:10  Unique         2.18, 2.77 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1155,1156,
 &end
#
#   77 ARG  HA           78 ALA  HN          4.50    (#    468:10  Unique         3.43, 3.46 A)
 &rst
  ixpk= 468, nxpk= 10, iat=1150,1172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ALA  MB           78 ALA  HN          2.80    (#    469:10  Unique         2.13, 2.91 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1176,1177,1178,
 &end
#
#    0 AMB  10-2:470     78 ALA  HN          3.50    (#    470:10  Single Ambig)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1152,1153,1135,1136,1137,
 &end
#
#   77 ARG  HG-          78 ALA  HN          2.80    (#    471:10  Unique         2.18, 2.77 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1155,1156,
 &end
#
#   30 GLU  HA           31 THR  HN          3.50    (#    472:10  Unique         3.53, 3.54 A)
 &rst
  ixpk= 472, nxpk= 10, iat= 427, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HA           31 THR  HN          3.50    (#    473:10  Unique         2.89, 2.94 A)
 &rst
  ixpk= 473, nxpk= 10, iat= 442, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 GLU  HA           31 THR  HN          5.50    (#    474:10  Unique         4.59, 4.76 A)
 &rst
  ixpk= 474, nxpk= 10, iat= 412, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 THR  HB           31 THR  HN          3.50    (#    475:10  Unique         2.47, 2.66 A)
 &rst
  ixpk= 475, nxpk= 10, iat= 444, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:476     31 THR  HN          4.50    (#    476:10  Single Ambig)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 432, 433, 432, 433,
 &end
#
#   30 GLU  HB-          31 THR  HN          4.50    (#    477:10  Unique         1.92, 3.67 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 429, 430,
 &end
#
#   31 THR  HG1          31 THR  HN          4.50    (#    478:10  Unique         2.51, 3.17 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 450, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HB-          31 THR  HN          4.50    (#    479:10  Unique         3.07, 4.53 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 383, 384,
 &end
#
#    0 AMB  10-2:480      0 AMB  10-1:480    2.80    (#    480:10  Double Ambig)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 501,1310,1311,
 igr2= 323,1321,
 &end
#
#    0 AMB  10-2:482     58 VAL  HN          4.50    (#    482:10  Single Ambig)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 194, 195, 194, 195, 200, 201, 200, 201,
 &end
#
#   57 GLU  HG+          58 VAL  HN          3.50    (#    483:10  Unique         3.06, 3.72 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 836, 837,
 &end
#
#   58 VAL  HB           58 VAL  HN          4.50    (#    484:10  Unique         2.56, 3.22 A)
 &rst
  ixpk= 484, nxpk= 10, iat= 848, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:485     58 VAL  HN          3.50    (#    485:10  Single Ambig)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 175, 176, 177, 197, 198,
 &end
#
#   15 VAL  MGY          58 VAL  HN          4.50    (#    486:10  Unique         3.17, 5.79 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#   58 VAL  MGY          58 VAL  HN          2.80    (#    487:10  Unique         1.95, 3.70 A)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   58 VAL  MGX          58 VAL  HN          2.80    (#    488:10  Unique         1.95, 3.70 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   36 HIS  HB+          39 GLU  HN          4.50    (#    489:10  Unique         1.95, 3.33 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 517, 518,
 &end
#
#   87 GLU  HA           88 SER  HN          3.50    (#    490:10  Unique         2.14, 2.22 A)
 &rst
  ixpk= 490, nxpk= 10, iat=1308,1321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:491     39 GLU  HN          4.50    (#    491:10  Single Ambig)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 553, 554, 553, 554,
 &end
#
#   77 ARG  HD+          39 GLU  HN          5.50    (#    493:10  Unique         4.35, 5.82 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1158,1159,
 &end
#
#   87 GLU  HB+          88 SER  HN          4.50    (#    497:10  Unique         2.28, 3.91 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1310,1311,
 &end
#
#    0 AMB  10-2:498     39 GLU  HN          3.50    (#    498:10  Single Ambig)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 581, 582, 583, 585, 586, 587, 503, 504, 505, 507,
       508, 509,
 &end
#
#    0 AMB  10-2:502      9 SER  HN          4.50    (#    502:10  Single Ambig)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 104, 105, 106, 108, 109, 110, 900, 901,
 &end
#
#   27 LEU  HA           14 LYS  HN          4.50    (#    503:10  Unique         3.57, 4.08 A)
 &rst
  ixpk= 503, nxpk= 10, iat= 381, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:504     14 LYS  HN          4.50    (#    504:10  Single Ambig)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 386, 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  10-2:505     14 LYS  HN          4.50    (#    505:10  Single Ambig)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 850, 851, 852, 854, 855, 856, 383, 384,
 &end
#
#   25 VAL  HA           14 LYS  HN          4.50    (#    506:10  Unique         3.65, 4.44 A)
 &rst
  ixpk= 506, nxpk= 10, iat= 355, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GLY  HA-          14 LYS  HN          2.80    (#    507:10  Unique         2.14, 2.59 A)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 185, 186,
 &end
#
#    0 AMB  10-2:508     14 LYS  HN          2.80    (#    508:10  Single Ambig)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 200, 201, 200, 201, 194, 195,
 &end
#
#   26 ALA  MB           14 LYS  HN          3.50    (#    509:10  Unique         3.50, 4.52 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 373, 374, 375,
 &end
#
#   25 VAL  MGY          14 LYS  HN          2.80    (#    510:10  Unique         2.09, 4.64 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   14 LYS  HG-          14 LYS  HN          4.50    (#    511:10  Unique         2.33, 3.51 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 197, 198,
 &end
#
#    0 AMB  10-2:513     38 SER  HN          3.50    (#    513:10  Single Ambig)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 540, 541, 540, 541, 534,
 &end
#
#    0 AMB  10-2:514     38 SER  HN          4.50    (#    514:10  Single Ambig)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 581, 582, 583, 585, 586, 587, 503, 504, 505, 507,
       508, 509,
 &end
#
#    0 AMB  10-2:515     38 SER  HN          5.50    (#    515:10  Single Ambig)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 543, 544, 545,1155,1156, 487, 488, 489, 491, 492,
       493,
 &end
#
#    0 AMB  10-2:516     38 SER  HN          4.50    (#    516:10  Single Ambig)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 515, 562, 631,
 &end
#
#   38 SER  HA           38 SER  HN          2.80    (#    517:10  Unique         2.82, 2.87 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 551, 549, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:518     38 SER  HN          2.80    (#    518:10  Single Ambig)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 553, 554, 553, 554,
 &end
#
#   37 ILE  HA           38 SER  HN          4.50    (#    519:10  Unique         3.42, 3.49 A)
 &rst
  ixpk= 519, nxpk= 10, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 HIS  HB+          38 SER  HN          4.50    (#    520:10  Unique         2.21, 3.39 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 517, 518,
 &end
#
#   36 HIS  HB-          38 SER  HN          4.50    (#    521:10  Unique         2.21, 3.39 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 517, 518,
 &end
#
#   37 ILE  QG2          38 SER  HN          2.80    (#    523:10  Unique         1.95, 3.00 A)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 536, 537, 538,
 &end
#
#    9 SER  HA            9 SER  HN          2.80    (#    524:10  Unique         2.83, 2.90 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 GLY  HA+           9 SER  HN          3.50    (#    525:10  Unique         2.85, 3.24 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 116, 117,
 &end
#
#    9 SER  HB+           9 SER  HN          2.80    (#    526:10  Unique         2.41, 3.15 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 125, 126,
 &end
#
#    0 AMB  10-2:527      9 SER  HN          2.80    (#    527:10  Single Ambig)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 125, 126, 116, 117,
 &end
#
#    7 VAL  HA            9 SER  HN          3.50    (#    528:10  Unique         3.19, 3.38 A)
 &rst
  ixpk= 528, nxpk= 10, iat= 100, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:529      9 SER  HN          4.50    (#    529:10  Single Ambig)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  87,  88,  87,  88, 102,
 &end
#
#   62 VAL  MGY           9 SER  HN          3.50    (#    530:10  Unique         2.83, 5.89 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#   62 VAL  MGX           9 SER  HN          4.50    (#    531:10  Unique         2.83, 5.89 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#   62 VAL  HB            9 SER  HN          3.50    (#    532:10  Unique         3.49, 5.53 A)
 &rst
  ixpk= 532, nxpk= 10, iat= 919, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 LYS  HA           71 LYS  HN          3.50    (#    533:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 533, nxpk= 10, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:534     71 LYS  HN          2.80    (#    534:10  Single Ambig)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1042,1043,1042,1043,
 &end
#
#   66 ASP  HB+          71 LYS  HN          3.50    (#    535:10  Unique         1.95, 2.78 A)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#   66 ASP  HB-          71 LYS  HN          3.50    (#    536:10  Unique         1.95, 2.78 A)
 &rst
  ixpk= 536, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#   71 LYS  HB+          71 LYS  HN          3.50    (#    537:10  Unique         2.28, 2.89 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1051,1052,
 &end
#
#   71 LYS  HB-          71 LYS  HN          3.50    (#    538:10  Unique         2.28, 2.89 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1051,1052,
 &end
#
#   71 LYS  HG-          71 LYS  HN          4.50    (#    539:10  Unique         3.19, 4.35 A)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#    0 AMB  10-2:540     47 ASP  HN          3.50    (#    540:10  Single Ambig)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 669, 670, 669, 670,
 &end
#
#    0 AMB  10-2:541      0 AMB  10-1:541    2.80    (#    541:10  Double Ambig)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 689, 720,
 igr2= 687, 764,
 &end
#
#    0 AMB  10-2:542      0 AMB  10-1:542    2.80    (#    542:10  Double Ambig)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 751, 752, 691, 692,
 igr2= 764, 687,
 &end
#
#   52 LEU  HB-          52 LEU  HN          3.50    (#    543:10  Unique         2.27, 3.13 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 768, 769,
 &end
#
#   51 HIS  HB-          52 LEU  HN          4.50    (#    544:10  Unique         2.14, 2.95 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   52 LEU  MDX          52 LEU  HN          4.50    (#    545:10  Unique         3.52, 4.82 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 773, 774, 775, 777, 778, 779,
 &end
#
#   52 LEU  HB+          52 LEU  HN          2.80    (#    546:10  Unique         2.27, 3.13 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 768, 769,
 &end
#
#    0 AMB  10-2:552     64 ALA  HN          2.80    (#    552:10  Single Ambig)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 952, 933,
 &end
#
#   62 VAL  HA           64 ALA  HN          4.50    (#    553:10  Unique         3.60, 3.88 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 917, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 SER  HB+          64 ALA  HN          2.80    (#    554:10  Unique         2.92, 4.51 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1092,1093,
 &end
#
#    0 AMB  10-2:555     64 ALA  HN          7.00    (#    555:10  Single Ambig)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1103,1104, 897, 898,
 &end
#
#   64 ALA  MB           64 ALA  HN          2.80    (#    556:10  Unique         2.79, 3.46 A)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 954, 955, 956,
 &end
#
#   62 VAL  MGY          64 ALA  HN          2.80    (#    557:10  Unique         2.02, 4.34 A)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#    0 AMB  10-2:558     64 ALA  HN          2.80    (#    558:10  Single Ambig)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 921, 922, 923, 925, 926, 927, 940, 941, 942, 944,
       945, 946,
 &end
#
#    7 VAL  MGX          64 ALA  HN          4.50    (#    559:10  Unique         3.08, 5.75 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#   56 ASP  HB+          55 GLY  HN          4.50    (#    566:10  Unique         4.48, 5.13 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   55 GLY  HA+          55 GLY  HN          2.80    (#    567:10  Unique         2.29, 2.59 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 812, 813,
 &end
#
#   55 GLY  HA-          55 GLY  HN          2.80    (#    568:10  Unique         2.29, 2.59 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 812, 813,
 &end
#
#   54 VAL  HA           55 GLY  HN          2.80    (#    569:10  Unique         2.17, 2.23 A)
 &rst
  ixpk= 569, nxpk= 10, iat= 796, 810, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 VAL  HB           55 GLY  HN          2.80    (#    570:10  Unique         2.03, 2.34 A)
 &rst
  ixpk= 570, nxpk= 10, iat= 216, 810, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:571     55 GLY  HN          5.50    (#    571:10  Single Ambig)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 234, 235, 236, 238, 253, 254, 197, 198,
 &end
#
#   15 VAL  MGY          55 GLY  HN          4.50    (#    572:10  Unique         2.72, 4.43 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  10-2:573     55 GLY  HN          2.80    (#    573:10  Single Ambig)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 800, 801, 802, 804, 805, 806, 800, 801, 802, 804,
       805, 806,
 &end
#
#   54 VAL  HB           55 GLY  HN          4.50    (#    574:10  Unique         3.84, 3.98 A)
 &rst
  ixpk= 574, nxpk= 10, iat= 798, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 GLY  HA+           8 GLY  HN          2.80    (#    581:10  Unique         2.33, 2.66 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 116, 117,
 &end
#
#    8 GLY  HA-           8 GLY  HN          2.80    (#    582:10  Unique         2.33, 2.66 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 116, 117,
 &end
#
#    7 VAL  HA            8 GLY  HN          2.80    (#    583:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 583, nxpk= 10, iat= 100, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:584      8 GLY  HN          4.50    (#    584:10  Single Ambig)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 906, 907, 906, 907,
 &end
#
#   62 VAL  HB            8 GLY  HN          2.80    (#    585:10  Unique         2.81, 4.83 A)
 &rst
  ixpk= 585, nxpk= 10, iat= 919, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 VAL  HB            8 GLY  HN          4.50    (#    586:10  Unique         2.48, 3.23 A)
 &rst
  ixpk= 586, nxpk= 10, iat= 102, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:587      8 GLY  HN          5.50    (#    587:10  Single Ambig)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 897, 898, 938,
 &end
#
#    7 VAL  MGX           8 GLY  HN          3.50    (#    588:10  Unique         2.02, 4.39 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 104, 105, 106, 108, 109, 110,
 &end
#
#    0 AMB  10-2:589      8 GLY  HN          3.50    (#    589:10  Single Ambig)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 104, 105, 106, 108, 109, 110, 921, 922, 923, 925,
       926, 927,
 &end
#
#   62 VAL  MGX           8 GLY  HN          3.50    (#    590:10  Unique         2.67, 5.01 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 921, 922, 923, 925, 926, 927,
 &end
#
#   63 LEU  HA            8 GLY  HN          4.50    (#    591:10  Unique         2.81, 3.68 A)
 &rst
  ixpk= 591, nxpk= 10, iat= 933, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HB           12 THR  HN          2.80    (#    592:10  Unique         2.66, 2.83 A)
 &rst
  ixpk= 592, nxpk= 10, iat= 173, 169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 TYR  HB+          12 THR  HN          2.80    (#    593:10  Unique         2.12, 3.33 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 152, 153,
 &end
#
#   11 TYR  HB-          12 THR  HN          2.80    (#    594:10  Unique         2.12, 3.33 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 152, 153,
 &end
#
#   12 THR  HG1          12 THR  HN          3.50    (#    595:10  Unique         2.32, 3.19 A)
 &rst
  ixpk= 595, nxpk= 10, iat= 179, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:596     12 THR  HN          4.50    (#    596:10  Single Ambig)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 883, 884, 885, 887, 888, 889, 138, 139, 140, 142,
       143, 144, 138, 139, 140, 142, 143, 144, 921, 922,
       923, 925, 926, 927,
 &end
#
#   27 LEU  MDY          12 THR  HN          4.50    (#    597:10  Unique         2.17, 5.60 A)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  10-2:610     50 GLU  HN          5.50    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 712, 713, 714, 258, 259, 260, 262, 263, 264,
 &end
#
#   50 GLU  HG-          50 GLU  HN          2.80    (#    611:10  Unique         2.07, 2.92 A)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 739, 740,
 &end
#
#    0 AMB  10-2:612     50 GLU  HN          3.50    (#    612:10  Single Ambig)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 720, 689,
 &end
#
#   50 GLU  HA           50 GLU  HN          3.50    (#    613:10  Unique         2.77, 2.84 A)
 &rst
  ixpk= 613, nxpk= 10, iat= 734, 732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 ASN  HB+          50 GLU  HN          4.50    (#    615:10  Unique         2.46, 3.73 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 722, 723,
 &end
#
#    0 AMB  10-2:616     50 GLU  HN          3.50    (#    616:10  Single Ambig)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 691, 692, 722, 723,
 &end
#
#   50 GLU  HG+          50 GLU  HN          2.80    (#    617:10  Unique         2.07, 2.92 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 739, 740,
 &end
#
#   50 GLU  HB+          50 GLU  HN          2.80    (#    618:10  Unique         2.13, 3.02 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 736, 737,
 &end
#
#   50 GLU  HB-          50 GLU  HN          2.80    (#    619:10  Unique         2.13, 3.02 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 736, 737,
 &end
#
#   48 ILE  QG2          50 GLU  HN          4.50    (#    620:10  Unique         4.31, 5.42 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 705, 706, 707,
 &end
#
#   30 GLU  HA           30 GLU  HN          3.50    (#    626:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 626, nxpk= 10, iat= 427, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 GLU  HA           30 GLU  HN          3.50    (#    627:10  Unique         2.82, 2.99 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 412, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HB           30 GLU  HN          4.50    (#    628:10  Unique         4.32, 4.52 A)
 &rst
  ixpk= 628, nxpk= 10, iat= 444, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASP  HB-          30 GLU  HN          4.50    (#    629:10  Unique         3.32, 3.96 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 402, 403,
 &end
#
#    0 AMB  10-2:630     30 GLU  HN          3.50    (#    630:10  Single Ambig)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 429, 430, 414, 415,
 &end
#
#   28 ASP  HA           30 GLU  HN          5.50    (#    631:10  Unique         4.22, 4.35 A)
 &rst
  ixpk= 631, nxpk= 10, iat= 400, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:632     30 GLU  HN          2.80    (#    632:10  Single Ambig)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 432, 433, 432, 433,
 &end
#
#    0 AMB  10-2:633     51 HIS  HN          4.50    (#    633:10  Single Ambig)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 720, 689,
 &end
#
#   51 HIS  HA           51 HIS  HN          3.50    (#    634:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 749, 747, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 HIS  HB-          51 HIS  HN          3.50    (#    636:10  Unique         2.20, 2.81 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   51 HIS  HB+          51 HIS  HN          2.80    (#    637:10  Unique         2.20, 2.81 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 751, 752,
 &end
#
#   50 GLU  HB+          51 HIS  HN          4.50    (#    638:10  Unique         2.72, 3.59 A)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 736, 737,
 &end
#
#   50 GLU  HB-          51 HIS  HN          4.50    (#    639:10  Unique         2.72, 3.59 A)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 736, 737,
 &end
#
#    0 AMB  10-2:640     51 HIS  HN          4.50    (#    640:10  Single Ambig)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 771, 581, 582, 583, 585, 586, 587, 712, 713, 714,
      
 &end
#
#   50 GLU  HA           51 HIS  HN          4.50    (#    641:10  Unique         3.43, 3.46 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 734, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LEU  HB+          51 HIS  HN          4.50    (#    642:10  Unique         4.40, 5.46 A)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 768, 769,
 &end
#
#    0 AMB  10-2:645     30 GLU  HN          4.50    (#    645:10  Single Ambig)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 417, 418, 417, 418,
 &end
#
#    0 AMB  10-2:646     49 ASN  HD2-        4.50    (#    646:10  Single Ambig)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 720, 689,
 igr2= 727, 728,
 &end
#
#   49 ASN  HB+          49 ASN  HD2-        2.80    (#    647:10  Unique         2.19, 3.40 A)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 722, 723,
 igr2= 727, 728,
 &end
#
#    0 AMB  10-2:648     49 ASN  HD2-        2.80    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 722, 723, 691, 692,
 igr2= 727, 728,
 &end
#
#   48 ILE  QG2          49 ASN  HD2-        4.50    (#    649:10  Unique         2.33, 3.98 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707,
 igr2= 727, 728,
 &end
#
#   31 THR  HB           28 ASP  HN          3.50    (#    650:10  Unique         3.52, 4.12 A)
 &rst
  ixpk= 650, nxpk= 10, iat= 444, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LEU  MDY          28 ASP  HN          4.50    (#    651:10  Unique         3.67, 5.22 A)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   27 LEU  MDX          28 ASP  HN          4.50    (#    652:10  Unique         3.67, 5.22 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   26 ALA  HA           28 ASP  HN          4.50    (#    653:10  Unique         4.20, 4.55 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 371, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASP  HA           28 ASP  HN          3.50    (#    654:10  Unique         2.94, 2.94 A)
 &rst
  ixpk= 654, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LEU  HA           28 ASP  HN          3.50    (#    655:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 655, nxpk= 10, iat= 381, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:656     28 ASP  HN          3.50    (#    656:10  Single Ambig)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 402, 403, 402, 403,
 &end
#
#    0 AMB  10-2:657     28 ASP  HN          7.00    (#    657:10  Single Ambig)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 432, 433, 432, 433,
 &end
#
#   26 ALA  MB           28 ASP  HN          4.50    (#    658:10  Unique         4.11, 5.26 A)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 373, 374, 375,
 &end
#
#    0 AMB  10-2:659     28 ASP  HN          4.50    (#    659:10  Single Ambig)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 386, 450,
 &end
#
#   27 LEU  HB-          28 ASP  HN          2.80    (#    660:10  Unique         1.97, 2.66 A)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 383, 384,
 &end
#
#    0 AMB  10-2:661      0 AMB  10-1:661    4.50    (#    661:10  Double Ambig)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 720, 689,
 igr2= 727, 728, 727, 728,
 &end
#
#   49 ASN  HB+          49 ASN  HD2+        3.50    (#    662:10  Unique         2.19, 3.40 A)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 722, 723,
 igr2= 727, 728,
 &end
#
#    0 AMB  10-2:663      0 AMB  10-1:663    4.50    (#    663:10  Double Ambig)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 722, 723, 691, 692,
 igr2= 727, 728, 727, 728,
 &end
#
#   48 ILE  QG2          49 ASN  HD2+        4.50    (#    664:10  Unique         2.33, 3.98 A)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707,
 igr2= 727, 728,
 &end
#
#   69 LYS  HA           69 LYS  HN          3.50    (#    665:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 665, nxpk= 10, iat=1020,1018, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:666     69 LYS  HN          3.50    (#    666:10  Single Ambig)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005, 990,
 &end
#
#    0 AMB  10-2:667     69 LYS  HN          4.50    (#    667:10  Single Ambig)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1042,1043,1042,1043,
 &end
#
#   66 ASP  HB+          69 LYS  HN          4.50    (#    668:10  Unique         2.39, 3.83 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   66 ASP  HB-          69 LYS  HN          4.50    (#    669:10  Unique         2.39, 3.83 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:670     69 LYS  HN          3.50    (#    670:10  Single Ambig)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1007,1008,1007,1008,
 &end
#
#   69 LYS  HB+          69 LYS  HN          2.80    (#    671:10  Unique         2.18, 2.72 A)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1022,1023,
 &end
#
#    0 AMB  10-2:672     69 LYS  HN          4.50    (#    672:10  Single Ambig)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1028,1029,1028,1029,
 &end
#
#   69 LYS  HB-          69 LYS  HN          2.80    (#    673:10  Unique         2.18, 2.72 A)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1022,1023,
 &end
#
#    0 AMB  10-2:674     69 LYS  HN          4.50    (#    674:10  Single Ambig)
 &rst
  ixpk= 674, nxpk= 10, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1025,1026,1025,1026,
 &end
#
#   28 ASP  HA           29 GLU  HN          2.80    (#    678:10  Unique         2.76, 2.89 A)
 &rst
  ixpk= 678, nxpk= 10, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   29 GLU  HA           29 GLU  HN          2.80    (#    679:10  Unique         2.27, 2.28 A)
 &rst
  ixpk= 679, nxpk= 10, iat= 412, 410, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:680     29 GLU  HN          4.50    (#    680:10  Single Ambig)
 &rst
  ixpk= 680, nxpk= 10, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 402, 403, 185, 186,
 &end
#
#    0 AMB  10-2:681     29 GLU  HN          2.80    (#    681:10  Single Ambig)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 417, 418, 417, 418,
 &end
#
#   29 GLU  HB+          29 GLU  HN          3.50    (#    682:10  Unique         2.93, 3.76 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 414, 415,
 &end
#
#    0 AMB  10-2:691     13 GLY  HN          4.50    (#    691:10  Single Ambig)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 836, 837, 864, 865,
 &end
#
#   12 THR  HB           13 GLY  HN          4.50    (#    692:10  Unique         3.32, 4.06 A)
 &rst
  ixpk= 692, nxpk= 10, iat= 173, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GLY  HA-          13 GLY  HN          2.80    (#    693:10  Unique         2.51, 2.78 A)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 185, 186,
 &end
#
#   57 GLU  HG+          13 GLY  HN          4.50    (#    694:10  Unique         3.02, 4.27 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 836, 837,
 &end
#
#   12 THR  MG2          13 GLY  HN          2.80    (#    695:10  Unique         2.03, 3.65 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 175, 176, 177,
 &end
#
#    0 AMB  10-2:696     13 GLY  HN          3.50    (#    696:10  Single Ambig)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 883, 884, 885, 887, 888, 889, 138, 139, 140, 142,
       143, 144,
 &end
#
#   58 VAL  MGX          13 GLY  HN          3.50    (#    697:10  Unique         3.53, 6.32 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   25 VAL  MGY          13 GLY  HN          4.50    (#    698:10  Unique         2.51, 5.58 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   27 LEU  MDY          13 GLY  HN          4.50    (#    699:10  Unique         3.56, 6.59 A)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   56 ASP  HB-          53 SER  HN          5.50    (#    701:10  Unique         3.67, 4.24 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 821, 822,
 &end
#
#    0 AMB  10-2:702     53 SER  HN          4.50    (#    702:10  Single Ambig)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 771, 359, 360, 361, 363, 364, 365, 581, 582, 583,
       585, 586, 587,
 &end
#
#    0 AMB  10-2:703     53 SER  HN          3.50    (#    703:10  Single Ambig)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 850, 851, 852, 854, 855, 856, 258, 259, 260, 262,
       263, 264,
 &end
#
#   52 LEU  HB+          53 SER  HN          2.80    (#    708:10  Unique         2.27, 3.31 A)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 768, 769,
 &end
#
#   52 LEU  MDX          53 SER  HN          2.80    (#    709:10  Unique         2.95, 5.04 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 773, 774, 775, 777, 778, 779,
 &end
#
#   53 SER  HA           53 SER  HN          3.50    (#    710:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 710, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 SER  HB+          53 SER  HN          3.50    (#    711:10  Unique         2.34, 3.09 A)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#   53 SER  HB-          53 SER  HN          2.80    (#    712:10  Unique         2.34, 3.09 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 787, 788,
 &end
#
#   56 ASP  HB+          53 SER  HN          4.50    (#    713:10  Unique         3.67, 4.24 A)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   52 LEU  HB-          53 SER  HN          2.80    (#    714:10  Unique         2.27, 3.31 A)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 768, 769,
 &end
#
#   19 GLN  HA           19 GLN  HE2+        5.50    (#    740:10  Unique         2.78, 4.64 A)
 &rst
  ixpk= 740, nxpk= 10, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 280, 281,
 &end
#
#   19 GLN  HG-          19 GLN  HE2+        4.50    (#    741:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#   19 GLN  HG+          19 GLN  HE2+        3.50    (#    742:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#   19 GLN  HG-          19 GLN  HE2-        5.50    (#    743:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#   19 GLN  HG+          19 GLN  HE2-        4.50    (#    744:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#    0 AMB  10-2:745      0 AMB  10-1:745    4.50    (#    745:10  Double Ambig)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1200,1201,1200,1201,
 igr2=1208,1209,1208,1209,
 &end
#
#   76 ILE  QG2          80 GLN  HE2+        3.50    (#    746:10  Unique         1.99, 4.07 A)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1135,1136,1137,
 igr2=1208,1209,
 &end
#
#    0 AMB  10-2:747      0 AMB  10-1:747    2.80    (#    747:10  Double Ambig)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1203,1204,1203,1204,
 igr2=1208,1209,1208,1209,
 &end
#
#    0 AMB  10-2:748     80 GLN  HE2-        3.50    (#    748:10  Single Ambig)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1203,1204,1203,1204,
 igr2=1208,1209,
 &end
#
#   76 ILE  QG2          80 GLN  HE2-        4.50    (#    749:10  Unique         1.99, 4.07 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1135,1136,1137,
 igr2=1208,1209,
 &end
#
#   63 LEU  MDX          75 SER  HN          4.50    (#    750:10  Unique         2.05, 4.62 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 940, 941, 942, 944, 945, 946,
 &end
#
#   62 VAL  HA           75 SER  HN          5.50    (#    751:10  Unique         3.49, 3.83 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 917,1118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 SER  HB+          75 SER  HN          3.50    (#    752:10  Unique         2.42, 3.24 A)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1122,1123,
 &end
#
#   75 SER  HB-          75 SER  HN          3.50    (#    753:10  Unique         2.42, 3.24 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1122,1123,
 &end
#
#    0 AMB  10-2:754     75 SER  HN          4.50    (#    754:10  Single Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 881,1139,1140,1139,1140,
 &end
#
#    0 AMB  10-2:755     75 SER  HN          2.80    (#    755:10  Single Ambig)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1103,1104, 897, 898,
 &end
#
#    0 AMB  10-2:756     75 SER  HN          4.50    (#    756:10  Single Ambig)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 938, 897, 898,1176,1177,1178,
 &end
#
#    0 AMB  10-2:757     75 SER  HN          2.80    (#    757:10  Single Ambig)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 900, 901,1103,1104,
 &end
#
#    0 AMB  10-2:758     75 SER  HN          4.50    (#    758:10  Single Ambig)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=1142,1143,1144, 921, 922, 923, 925, 926, 927,1155,
      1156,
 &end
#
#    0 AMB  10-2:759      0 AMB  10-1:759    2.80    (#    759:10  Double Ambig)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 461, 462, 461, 462,
 igr2= 466, 467, 466, 467,
 &end
#
#   26 ALA  MB           32 GLN  HE2+        4.50    (#    760:10  Unique         1.95, 5.00 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 373, 374, 375,
 igr2= 466, 467,
 &end
#
#    0 AMB  10-2:761      0 AMB  10-1:761    4.50    (#    761:10  Double Ambig)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 234, 235, 236, 238,
 igr2= 466, 467, 466, 467,
 &end
#
#    0 AMB  10-2:762     32 GLN  HE2-        4.50    (#    762:10  Single Ambig)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 234, 235, 236, 238,
 igr2= 466, 467,
 &end
#
#    0 AMB  10-2:763     32 GLN  HE2-        4.50    (#    763:10  Single Ambig)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 461, 462, 461, 462,
 igr2= 466, 467,
 &end
#
#   59 GLN  HG+          60 VAL  HN          4.50    (#    764:10  Unique         3.80, 4.65 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 867, 868,
 &end
#
#   59 GLN  HG-          60 VAL  HN          4.50    (#    765:10  Unique         3.80, 4.65 A)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 867, 868,
 &end
#
#   59 GLN  HB-          60 VAL  HN          4.50    (#    766:10  Unique         2.39, 3.66 A)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 864, 865,
 &end
#
#   59 GLN  HB+          60 VAL  HN          5.50    (#    767:10  Unique         2.39, 3.66 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 864, 865,
 &end
#
#    0 AMB  10-2:768     60 VAL  HN          3.50    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1188,1189,1190, 900, 901,
 &end
#
#   27 LEU  MDY          60 VAL  HN          4.50    (#    769:10  Unique         5.43, 7.71 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#    0 AMB  10-2:770     60 VAL  HN          2.80    (#    770:10  Single Ambig)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 883, 884, 885, 887, 888, 889, 138, 139, 140, 142,
       143, 144, 138, 139, 140, 142, 143, 144,
 &end
#
#   69 LYS  HA           70 GLY  HN          3.50    (#    771:10  Unique         3.46, 3.50 A)
 &rst
  ixpk= 771, nxpk= 10, iat=1020,1040, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:772     70 GLY  HN          2.80    (#    772:10  Single Ambig)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 990,1005,
 &end
#
#    0 AMB  10-2:773     70 GLY  HN          2.80    (#    773:10  Single Ambig)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1042,1043,1042,1043,
 &end
#
#   66 ASP  HB+          70 GLY  HN          4.50    (#    774:10  Unique         2.21, 3.49 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:775     70 GLY  HN          4.50    (#    775:10  Single Ambig)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1007,1008,1007,1008,
 &end
#
#   69 LYS  HB+          70 GLY  HN          4.50    (#    776:10  Unique         2.69, 3.27 A)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1022,1023,
 &end
#
#   69 LYS  HB-          70 GLY  HN          3.50    (#    778:10  Unique         2.69, 3.27 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1022,1023,
 &end
#
#    0 AMB  10-2:779     70 GLY  HN          4.50    (#    779:10  Single Ambig)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1025,1026,1025,1026,1054,1055,
 &end
#
#   42 HIS  HB-          43 GLY  HN          4.50    (#    780:10  Unique         2.28, 3.66 A)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 609, 610,
 &end
#
#   42 HIS  HA           43 GLY  HN          3.50    (#    781:10  Unique         2.28, 3.34 A)
 &rst
  ixpk= 781, nxpk= 10, iat= 607, 622, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:782     43 GLY  HN          2.80    (#    782:10  Single Ambig)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 624, 625, 624, 625,
 &end
#
#   42 HIS  HB+          43 GLY  HN          4.50    (#    783:10  Unique         2.28, 3.66 A)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 609, 610,
 &end
#
#    0 AMB  10-2:784     43 GLY  HN          4.50    (#    784:10  Single Ambig)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 597, 598, 599,
 &end
#
#   45 VAL  MGX          41 THR  HN          5.50    (#    786:10  Unique         4.16, 6.44 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#   40 VAL  HA           41 THR  HN          4.50    (#    787:10  Unique         3.43, 3.46 A)
 &rst
  ixpk= 787, nxpk= 10, iat= 577, 591, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 VAL  HB           41 THR  HN          4.50    (#    788:10  Unique         2.66, 2.97 A)
 &rst
  ixpk= 788, nxpk= 10, iat= 579, 591, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ARG  HB+          41 THR  HN          4.50    (#    789:10  Unique         2.92, 3.92 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#    0 AMB  10-2:790     41 THR  HN          3.50    (#    790:10  Single Ambig)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 581, 582, 583, 585, 586, 587, 712, 713, 714,
 &end
#
#    0 AMB  10-2:791     41 THR  HN          3.50    (#    791:10  Single Ambig)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 597, 598, 599, 601,
 &end
#
#    0 AMB  10-2:793     41 THR  HN          3.50    (#    793:10  Single Ambig)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 593, 551,
 &end
#
#   41 THR  HB           41 THR  HN          4.50    (#    794:10  Unique         3.17, 3.47 A)
 &rst
  ixpk= 794, nxpk= 10, iat= 595, 591, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:795     41 THR  HN          3.50    (#    795:10  Single Ambig)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 591, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1152,1153,1155,1156, 581, 582, 583, 585, 586, 587,
      
 &end
#
#    0 AMB  10-2:796     22 GLY  HN          3.50    (#    796:10  Single Ambig)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 297, 270,
 &end
#
#   20 ALA  HA           22 GLY  HN          4.50    (#    797:10  Unique         3.83, 4.21 A)
 &rst
  ixpk= 797, nxpk= 10, iat= 287, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLY  HA-          22 GLY  HN          2.80    (#    798:10  Unique         2.48, 2.79 A)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 318, 319,
 &end
#
#    0 AMB  10-2:799     22 GLY  HN          4.50    (#    799:10  Single Ambig)
 &rst
  ixpk= 799, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 289, 290, 291, 256, 709, 710, 709, 710,
 &end
#
#   37 ILE  HB           22 GLY  HN          4.50    (#    800:10  Unique         2.51, 4.06 A)
 &rst
  ixpk= 800, nxpk= 10, iat= 534, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLN  HB-          22 GLY  HN          3.50    (#    801:10  Unique         2.14, 3.15 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 272, 273,
 &end
#
#    0 AMB  10-2:802     22 GLY  HN          4.50    (#    802:10  Single Ambig)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 543, 544, 545, 705, 706, 707,
 &end
#
#    0 AMB  10-2:803     22 GLY  HN          2.80    (#    803:10  Single Ambig)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 712, 713, 714, 536, 537, 538,
 &end
#
#   22 GLY  HA+          22 GLY  HN          3.50    (#    804:10  Unique         2.48, 2.79 A)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 318, 319,
 &end
#
#   19 GLN  HB+          22 GLY  HN          4.50    (#    805:10  Unique         2.14, 3.15 A)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 272, 273,
 &end
#
#   25 VAL  MGX          17 GLY  HN          4.50    (#    806:10  Unique         4.37, 6.84 A)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   15 VAL  HA           17 GLY  HN          4.50    (#    807:10  Unique         3.63, 3.92 A)
 &rst
  ixpk= 807, nxpk= 10, iat= 214, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 PHE  HB+          17 GLY  HN          4.50    (#    808:10  Unique         2.70, 3.64 A)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 337, 338,
 &end
#
#    0 AMB  10-2:809     17 GLY  HN          5.50    (#    809:10  Single Ambig)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 373, 374, 375,
 &end
#
#   15 VAL  MGY          17 GLY  HN          3.50    (#    810:10  Unique         2.03, 4.49 A)
 &rst
  ixpk= 810, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 218, 219, 220, 222, 223, 224,
 &end
#
#   16 THR  HA           17 GLY  HN          4.50    (#    811:10  Unique         3.47, 3.50 A)
 &rst
  ixpk= 811, nxpk= 10, iat= 230, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 GLY  HA+          17 GLY  HN          2.80    (#    812:10  Unique         2.62, 2.80 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 244, 245,
 &end
#
#   17 GLY  HA-          17 GLY  HN          2.80    (#    813:10  Unique         2.62, 2.80 A)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 244, 245,
 &end
#
#   24 PHE  HB-          17 GLY  HN          3.50    (#    814:10  Unique         2.70, 3.64 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#    0 AMB  10-2:815     17 GLY  HN          4.50    (#    815:10  Single Ambig)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 234, 235, 236, 238,
 &end
#
#    0 AMB  10-2:816     17 GLY  HN          2.80    (#    816:10  Single Ambig)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 218, 219, 220, 222, 223, 224, 800, 801, 802, 804,
       805, 806,
 &end
#
#   33 GLY  HA+          33 GLY  HN          4.50    (#    817:10  Unique         2.29, 2.60 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 474,
 &end
#
#   25 VAL  MGY          33 GLY  HN          4.50    (#    818:10  Unique         4.12, 5.65 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 359, 360, 361, 363, 364, 365,
 &end
#
#   26 ALA  HA           33 GLY  HN          4.50    (#    819:10  Unique         3.47, 3.63 A)
 &rst
  ixpk= 819, nxpk= 10, iat= 371, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 GLY  HA-          33 GLY  HN          2.80    (#    820:10  Unique         2.29, 2.60 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 473, 474,
 &end
#
#    0 AMB  10-2:821     33 GLY  HN          3.50    (#    821:10  Single Ambig)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 461, 462, 461, 462,
 &end
#
#   32 GLN  HB-          33 GLY  HN          4.50    (#    822:10  Unique         3.12, 3.79 A)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 458, 459,
 &end
#
#   25 VAL  HB           33 GLY  HN          4.50    (#    823:10  Unique         3.10, 3.62 A)
 &rst
  ixpk= 823, nxpk= 10, iat= 357, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HG           33 GLY  HN          4.50    (#    824:10  Unique         2.62, 3.56 A)
 &rst
  ixpk= 824, nxpk= 10, iat= 386, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:825     33 GLY  HN          3.50    (#    825:10  Single Ambig)
 &rst
  ixpk= 825, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1108,1109,1110,1112,1113,1114,1075,1076,1077, 883,
       884, 885, 887, 888, 889,
 &end
#
#    0 AMB  10-2:826     33 GLY  HN          2.80    (#    826:10  Single Ambig)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1108,1109,1110,1112,1113,1114, 383, 384,
 &end
#
#   27 LEU  MDX          33 GLY  HN          4.50    (#    827:10  Unique         2.67, 5.14 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 388, 389, 390, 392, 393, 394,
 &end
#
#   80 GLN  HA           79 THR  HN          5.50    (#    828:10  Unique         4.66, 5.03 A)
 &rst
  ixpk= 828, nxpk= 10, iat=1198,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ARG  HA           79 THR  HN          4.50    (#    829:10  Unique         3.81, 4.19 A)
 &rst
  ixpk= 829, nxpk= 10, iat=1150,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:830     79 THR  HN          4.50    (#    830:10  Single Ambig)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1200,1201,1200,1201,
 &end
#
#    0 AMB  10-2:831     79 THR  HN          4.50    (#    831:10  Single Ambig)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1192, 900, 901,
 &end
#
#   76 ILE  HA           79 THR  HN          5.50    (#    832:10  Unique         3.03, 3.32 A)
 &rst
  ixpk= 832, nxpk= 10, iat=1131,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:833     79 THR  HN          3.50    (#    833:10  Single Ambig)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1184,1174,
 &end
#
#    0 AMB  10-2:834     79 THR  HN          4.50    (#    834:10  Single Ambig)
 &rst
  ixpk= 834, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1203,1204,1203,1204,
 &end
#
#   78 ALA  MB           79 THR  HN          3.50    (#    835:10  Unique         2.59, 3.58 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1176,1177,1178,
 &end
#
#    0 AMB  10-2:838     21 TYR  HN          3.50    (#    838:10  Single Ambig)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 297, 270,
 &end
#
#   20 ALA  HA           21 TYR  HN          4.50    (#    839:10  Unique         3.13, 3.37 A)
 &rst
  ixpk= 839, nxpk= 10, iat= 287, 295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 TYR  HB+          21 TYR  HN          4.50    (#    840:10  Unique         2.23, 3.10 A)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 299, 300,
 &end
#
#   21 TYR  HB-          21 TYR  HN          4.50    (#    841:10  Unique         2.23, 3.10 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 299, 300,
 &end
#
#   19 GLN  HB+          21 TYR  HN          3.50    (#    842:10  Unique         2.14, 2.90 A)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 272, 273,
 &end
#
#   20 ALA  MB           21 TYR  HN          3.50    (#    843:10  Unique         2.52, 3.86 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 289, 290, 291,
 &end
#
#   19 GLN  HB-          21 TYR  HN          4.50    (#    844:10  Unique         2.14, 2.90 A)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 272, 273,
 &end
#
#   32 GLN  HA           26 ALA  HN          5.50    (#    857:10  Unique         4.37, 4.75 A)
 &rst
  ixpk= 857, nxpk= 10, iat= 456, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:858      0 AMB  10-1:858    4.50    (#    858:10  Double Ambig)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 513, 212,
 igr2= 497, 369,
 &end
#
#   14 LYS  HN           26 ALA  HN          3.50    (#    859:10  Unique         2.21, 2.92 A)
 &rst
  ixpk= 859, nxpk= 10, iat= 190, 369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:860     63 LEU  HN          4.50    (#    860:10  Single Ambig)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1118,1088,
 &end
#
#   62 VAL  HN           63 LEU  HN          4.50    (#    861:10  Unique         4.14, 4.48 A)
 &rst
  ixpk= 861, nxpk= 10, iat= 915, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ALA  HN           63 LEU  HN          2.80    (#    862:10  Unique         1.95, 2.20 A)
 &rst
  ixpk= 862, nxpk= 10, iat= 950, 931, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 LEU  HA           63 LEU  HN          3.50    (#    863:10  Unique         2.85, 3.13 A)
 &rst
  ixpk= 863, nxpk= 10, iat=1101, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:864     35 VAL  HN          4.50    (#    864:10  Single Ambig)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 353, 471,
 &end
#
#   49 ASN  HN           48 ILE  HN          3.50    (#    865:10  Unique         2.19, 2.35 A)
 &rst
  ixpk= 865, nxpk= 10, iat= 718, 699, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ALA  HN           76 ILE  HN          4.50    (#    866:10  Unique         3.78, 4.00 A)
 &rst
  ixpk= 866, nxpk= 10, iat=1172,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ARG  HN           76 ILE  HN          2.80    (#    867:10  Unique         2.14, 2.36 A)
 &rst
  ixpk= 867, nxpk= 10, iat=1148,1129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 SER  HA           76 ILE  HN          2.80    (#    868:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 868, nxpk= 10, iat=1120,1129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 ALA  HN           35 VAL  HN          3.50    (#    870:10  Unique         2.91, 3.49 A)
 &rst
  ixpk= 870, nxpk= 10, iat= 323, 497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LEU  HA           35 VAL  HN          2.80    (#    871:10  Unique         2.16, 2.20 A)
 &rst
  ixpk= 871, nxpk= 10, iat= 480, 497, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   34 LEU  HN           35 VAL  HN          4.50    (#    872:10  Unique         4.22, 4.30 A)
 &rst
  ixpk= 872, nxpk= 10, iat= 478, 497, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 PHE  HA           35 VAL  HN          4.50    (#    873:10  Unique         3.23, 3.73 A)
 &rst
  ixpk= 873, nxpk= 10, iat= 335, 497, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  HD           45 VAL  HN          5.50    (#    876:10  Unique         2.41, 4.70 A)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 637, 645,
 &end
#
#   35 VAL  HN           36 HIS  HN          4.50    (#    877:10  Unique         3.81, 4.09 A)
 &rst
  ixpk= 877, nxpk= 10, iat= 497, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:878     36 HIS  HN          4.50    (#    878:10  Single Ambig)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1099, 560,
 &end
#
#   37 ILE  HN           36 HIS  HN          4.50    (#    879:10  Unique         4.57, 4.62 A)
 &rst
  ixpk= 879, nxpk= 10, iat= 530, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 SER  HA           36 HIS  HN          4.50    (#    881:10  Unique         4.54, 5.24 A)
 &rst
  ixpk= 881, nxpk= 10, iat=1120, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HN           32 GLN  HN          4.50    (#    883:10  Unique         4.32, 4.83 A)
 &rst
  ixpk= 883, nxpk= 10, iat= 379, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 THR  HN           32 GLN  HN          4.50    (#    884:10  Unique         3.61, 3.86 A)
 &rst
  ixpk= 884, nxpk= 10, iat= 440, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLN  HA           32 GLN  HN          3.50    (#    885:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 885, nxpk= 10, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:886     27 LEU  HN          4.50    (#    886:10  Single Ambig)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 471, 454,
 &end
#
#   28 ASP  HN           27 LEU  HN          2.80    (#    887:10  Unique         2.08, 2.54 A)
 &rst
  ixpk= 887, nxpk= 10, iat= 398, 379, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 GLN  HA           27 LEU  HN          4.50    (#    888:10  Unique         2.38, 3.02 A)
 &rst
  ixpk= 888, nxpk= 10, iat= 456, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ALA  HN           27 LEU  HN          4.50    (#    889:10  Unique         4.40, 4.47 A)
 &rst
  ixpk= 889, nxpk= 10, iat= 369, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LEU  HN           72 ILE  HN          4.50    (#    894:10  Unique         4.11, 4.65 A)
 &rst
  ixpk= 894, nxpk= 10, iat= 478,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LYS  HN           72 ILE  HN          4.50    (#    895:10  Unique         4.23, 4.45 A)
 &rst
  ixpk= 895, nxpk= 10, iat=1047,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LEU  HA           72 ILE  HN          7.00    (#    896:10  Unique         6.21, 6.83 A)
 &rst
  ixpk= 896, nxpk= 10, iat= 480,1069, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   80 GLN  HN           81 ALA  HN          4.50    (#    898:10  Unique         2.17, 3.73 A)
 &rst
  ixpk= 898, nxpk= 10, iat=1196,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 VAL  HN           37 ILE  HN          7.00    (#    900:10  Unique         6.07, 6.51 A)
 &rst
  ixpk= 900, nxpk= 10, iat= 497, 530, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:902     66 ASP  HN          4.50    (#    902:10  Single Ambig)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1069,
 &end
#
#   71 LYS  HN           66 ASP  HN          3.50    (#    903:10  Unique         3.09, 3.37 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1047, 976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLU  HN           66 ASP  HN          4.50    (#    904:10  Unique         4.13, 4.25 A)
 &rst
  ixpk= 904, nxpk= 10, iat= 988, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 TYR  HN           62 VAL  HN          4.50    (#    905:10  Unique         3.21, 4.22 A)
 &rst
  ixpk= 905, nxpk= 10, iat= 148, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 SER  HN           62 VAL  HN          4.50    (#    906:10  Unique         3.93, 4.39 A)
 &rst
  ixpk= 906, nxpk= 10, iat= 121, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 PHE  HD           62 VAL  HN          5.50    (#    908:10  Unique         5.33, 7.87 A)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  79,
 &end
#
#   61 LYS  HA           62 VAL  HN          2.80    (#    909:10  Unique         2.14, 2.25 A)
 &rst
  ixpk= 909, nxpk= 10, iat= 895, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 GLY  HN           62 VAL  HN          4.50    (#    910:10  Unique         3.35, 3.91 A)
 &rst
  ixpk= 910, nxpk= 10, iat= 114, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:913     37 ILE  HN          4.50    (#    913:10  Single Ambig)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 560, 323,
 &end
#
#   36 HIS  HN           37 ILE  HN          4.50    (#    914:10  Unique         4.57, 4.62 A)
 &rst
  ixpk= 914, nxpk= 10, iat= 513, 530, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 SER  HN           37 ILE  HN          4.50    (#    915:10  Unique         2.57, 2.68 A)
 &rst
  ixpk= 915, nxpk= 10, iat= 549, 530, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLY  HN           37 ILE  HN          5.50    (#    916:10  Unique         4.11, 4.82 A)
 &rst
  ixpk= 916, nxpk= 10, iat= 316, 530, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:917     67 GLU  HN          4.50    (#    917:10  Single Ambig)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 976, 960,
 &end
#
#   39 GLU  HN           40 VAL  HN          2.80    (#    918:10  Unique         2.24, 2.38 A)
 &rst
  ixpk= 918, nxpk= 10, iat= 560, 575, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:920     15 VAL  HN          4.50    (#    920:10  Single Ambig)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 228, 369,
 &end
#
#   68 GLU  HN           67 GLU  HN          3.50    (#    922:10  Unique         2.26, 2.39 A)
 &rst
  ixpk= 922, nxpk= 10, iat=1003, 988, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 VAL  HN           15 VAL  HN          5.50    (#    924:10  Unique         3.20, 3.44 A)
 &rst
  ixpk= 924, nxpk= 10, iat= 844, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 ASP  HN           15 VAL  HN          4.50    (#    925:10  Unique         2.92, 3.19 A)
 &rst
  ixpk= 925, nxpk= 10, iat= 817, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 LYS  HN           15 VAL  HN          4.50    (#    926:10  Unique         4.13, 4.36 A)
 &rst
  ixpk= 926, nxpk= 10, iat= 190, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 LYS  HA           15 VAL  HN          2.80    (#    927:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 927, nxpk= 10, iat= 192, 212, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 GLU  HA           15 VAL  HN          3.50    (#    928:10  Unique         3.34, 3.57 A)
 &rst
  ixpk= 928, nxpk= 10, iat= 831, 212, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  HN           11 TYR  HN          4.50    (#    929:10  Unique         3.92, 4.24 A)
 &rst
  ixpk= 929, nxpk= 10, iat= 132, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 SER  HA           74 LEU  HN          2.80    (#    930:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 930, nxpk= 10, iat=1090,1099, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:931     74 LEU  HN          4.50    (#    931:10  Single Ambig)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1118,1069,
 &end
#
#   74 LEU  HA           74 LEU  HN          3.50    (#    932:10  Unique         2.94, 2.94 A)
 &rst
  ixpk= 932, nxpk= 10, iat=1101,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HN           11 TYR  HN          4.50    (#    933:10  Unique         4.45, 4.56 A)
 &rst
  ixpk= 933, nxpk= 10, iat= 169, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 VAL  HN           11 TYR  HN          4.50    (#    934:10  Unique         3.21, 4.22 A)
 &rst
  ixpk= 934, nxpk= 10, iat= 915, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 TYR  HD           11 TYR  HN          4.50    (#    935:10  Unique         2.16, 3.95 A)
 &rst
  ixpk= 935, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 165,
 &end
#
#    5 PHE  HD           11 TYR  HN          5.50    (#    936:10  Unique         4.13, 6.50 A)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  79,
 &end
#
#   10 VAL  HA           11 TYR  HN          2.80    (#    937:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 937, nxpk= 10, iat= 134, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLY  HN           54 VAL  HN          4.50    (#    940:10  Unique         4.57, 4.61 A)
 &rst
  ixpk= 940, nxpk= 10, iat= 810, 794, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 SER  HN           54 VAL  HN          4.50    (#    941:10  Unique         4.16, 4.36 A)
 &rst
  ixpk= 941, nxpk= 10, iat= 783, 794, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:943      0 AMB  10-1:943    2.80    (#    943:10  Double Ambig)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 950, 242,
 igr2=1088, 249,
 &end
#
#   73 SER  HA           73 SER  HN          3.50    (#    944:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 944, nxpk= 10, iat=1090,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:945      0 AMB  10-1:945    4.50    (#    945:10  Double Ambig)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 931, 810,
 igr2=1088, 249,
 &end
#
#    0 AMB  10-2:950     77 ARG  HN          4.50    (#    950:10  Single Ambig)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1182, 591,
 &end
#
#   78 ALA  HN           77 ARG  HN          4.50    (#    951:10  Unique         2.35, 2.58 A)
 &rst
  ixpk= 951, nxpk= 10, iat=1172,1148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 ILE  HN           77 ARG  HN          2.80    (#    952:10  Unique         2.14, 2.36 A)
 &rst
  ixpk= 952, nxpk= 10, iat=1129,1148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 SER  HA           77 ARG  HN          4.50    (#    953:10  Unique         3.40, 3.61 A)
 &rst
  ixpk= 953, nxpk= 10, iat=1120,1148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 PHE  HD           25 VAL  HN          4.50    (#    954:10  Unique         2.43, 4.34 A)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 341, 349,
 &end
#
#   32 GLN  HA           25 VAL  HN          5.50    (#    955:10  Unique         4.08, 4.63 A)
 &rst
  ixpk= 955, nxpk= 10, iat= 456, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 PHE  HA           25 VAL  HN          2.80    (#    956:10  Unique         2.15, 2.21 A)
 &rst
  ixpk= 956, nxpk= 10, iat= 335, 353, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:957     25 VAL  HN          4.50    (#    957:10  Single Ambig)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 369, 228, 497,
 &end
#
#   34 LEU  HA           25 VAL  HN          4.50    (#    958:10  Unique         3.24, 3.69 A)
 &rst
  ixpk= 958, nxpk= 10, iat= 480, 353, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 PHE  HD           25 VAL  HN          4.50    (#    959:10  Unique         2.43, 4.34 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 341, 349,
 &end
#
#    0 AMB  10-2:960     24 PHE  HN          4.50    (#    960:10  Single Ambig)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 228, 497,
 &end
#
#    0 AMB  10-2:961     24 PHE  HN          4.50    (#    961:10  Single Ambig)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 268, 323,
 &end
#
#   17 GLY  HN           24 PHE  HN          3.50    (#    962:10  Unique         2.63, 3.08 A)
 &rst
  ixpk= 962, nxpk= 10, iat= 242, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 PHE  HD           24 PHE  HN          4.50    (#    963:10  Unique         3.05, 4.46 A)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 341, 349,
 &end
#
#   23 ALA  HA           24 PHE  HN          2.80    (#    964:10  Unique         2.16, 2.30 A)
 &rst
  ixpk= 964, nxpk= 10, iat= 325, 333, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 GLY  HN            7 VAL  HN          4.50    (#    965:10  Unique         4.27, 4.56 A)
 &rst
  ixpk= 965, nxpk= 10, iat= 114,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 VAL  HN           57 GLU  HN          4.50    (#    967:10  Unique         4.36, 4.37 A)
 &rst
  ixpk= 967, nxpk= 10, iat= 844, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ASP  HN           57 GLU  HN          4.50    (#    968:10  Unique         4.35, 4.44 A)
 &rst
  ixpk= 968, nxpk= 10, iat= 817, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 LYS  HA           57 GLU  HN          5.50    (#    969:10  Unique         4.24, 4.57 A)
 &rst
  ixpk= 969, nxpk= 10, iat= 192, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLU  HA           57 GLU  HN          3.50    (#    970:10  Unique         2.86, 2.86 A)
 &rst
  ixpk= 970, nxpk= 10, iat= 831, 829, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:971     57 GLU  HN          5.50    (#    971:10  Single Ambig)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 212, 183,
 &end
#
#    5 PHE  HN            6 GLU  HN          4.50    (#    977:10  Unique         3.09, 4.16 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  63,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 TYR  HD            6 GLU  HN          7.00    (#    978:10  Unique         5.87, 8.51 A)
 &rst
  ixpk= 978, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 156, 165,
 &end
#
#    5 PHE  HD            6 GLU  HN          4.50    (#    979:10  Unique         3.42, 4.96 A)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  79,
 &end
#
#   74 LEU  HA           61 LYS  HN          4.50    (#    981:10  Unique         4.04, 5.02 A)
 &rst
  ixpk= 981, nxpk= 10, iat=1101, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LYS  HA           61 LYS  HN          3.50    (#    982:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 982, nxpk= 10, iat= 895, 893, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 VAL  HN           56 ASP  HN          3.50    (#    985:10  Unique         2.92, 3.19 A)
 &rst
  ixpk= 985, nxpk= 10, iat= 212, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLY  HN           56 ASP  HN          2.80    (#    986:10  Unique         2.29, 2.51 A)
 &rst
  ixpk= 986, nxpk= 10, iat= 810, 817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:987     56 ASP  HN          5.50    (#    987:10  Single Ambig)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 794, 844,
 &end
#
#   14 LYS  HA           56 ASP  HN          5.50    (#    988:10  Unique         4.36, 4.74 A)
 &rst
  ixpk= 988, nxpk= 10, iat= 192, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLU  HN           56 ASP  HN          4.50    (#    989:10  Unique         4.35, 4.44 A)
 &rst
  ixpk= 989, nxpk= 10, iat= 829, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 SER  HN           56 ASP  HN          7.00    (#    990:10  Unique         4.98, 5.32 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 783, 817, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 VAL  HN           16 THR  HN          4.50    (#    991:10  Unique         4.48, 4.60 A)
 &rst
  ixpk= 991, nxpk= 10, iat= 212, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:992     16 THR  HN          4.50    (#    992:10  Single Ambig)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 353, 249,
 &end
#
#   17 GLY  HN           16 THR  HN          2.80    (#    993:10  Unique         1.89, 2.03 A)
 &rst
  ixpk= 993, nxpk= 10, iat= 242, 228, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:994     80 GLN  HN          4.50    (#    994:10  Single Ambig)
 &rst
  ixpk= 994, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1223,1172,
 &end
#
#   81 ALA  HN           80 GLN  HN          4.50    (#    995:10  Unique         2.17, 3.73 A)
 &rst
  ixpk= 995, nxpk= 10, iat=1213,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 THR  HN           80 GLN  HN          2.80    (#    996:10  Unique         2.28, 2.67 A)
 &rst
  ixpk= 996, nxpk= 10, iat=1182,1196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 PHE  HD           10 VAL  HN          5.50    (#   1000:10  Unique         3.77, 6.02 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  79,
 &end
#
#    5 PHE  HN            4 LYS  HN          2.80    (#   1001:10  Unique         1.90, 2.13 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  63,  41, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 TYR  HN           10 VAL  HN          4.50    (#   1002:10  Unique         3.92, 4.24 A)
 &rst
  ixpk= 1002, nxpk= 10, iat= 148, 132, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 VAL  HA           10 VAL  HN          3.50    (#   1003:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 1003, nxpk= 10, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           59 GLN  HN          4.50    (#   1004:10  Unique         3.53, 4.37 A)
 &rst
  ixpk= 1004, nxpk= 10, iat= 877, 860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 VAL  HN           59 GLN  HN          4.50    (#   1005:10  Unique         4.37, 4.46 A)
 &rst
  ixpk= 1005, nxpk= 10, iat= 844, 860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 GLN  HA           59 GLN  HN          3.50    (#   1006:10  Unique         2.76, 2.90 A)
 &rst
  ixpk= 1006, nxpk= 10, iat= 862, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 VAL  HN           34 LEU  HN          4.50    (#   1007:10  Unique         4.22, 4.30 A)
 &rst
  ixpk= 1007, nxpk= 10, iat= 497, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1008    34 LEU  HN          4.50    (#   1008:10  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069, 471, 353,
 &end
#
#   74 LEU  HN           34 LEU  HN          4.50    (#   1009:10  Unique         3.28, 3.85 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=1099, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 SER  HA           34 LEU  HN          3.50    (#   1010:10  Unique         3.11, 4.01 A)
 &rst
  ixpk= 1010, nxpk= 10, iat=1090, 478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LEU  HA           34 LEU  HN          3.50    (#   1011:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1011, nxpk= 10, iat= 480, 478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 TYR  HN           20 ALA  HN          4.50    (#   1013:10  Unique         2.36, 2.53 A)
 &rst
  ixpk= 1013, nxpk= 10, iat= 295, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1017    19 GLN  HN          3.50    (#   1017:10  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 316, 280, 281,
 &end
#
#   23 ALA  HA           19 GLN  HN          3.50    (#   1018:10  Unique         2.41, 2.89 A)
 &rst
  ixpk= 1018, nxpk= 10, iat= 325, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           65 VAL  HN          4.50    (#   1020:10  Unique         4.11, 4.26 A)
 &rst
  ixpk= 1020, nxpk= 10, iat= 950, 960, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 LEU  HN          126 ASP  HN          4.50    (#   1021:10  Unique         2.48, 3.88 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=1947,1935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  HD           44 PHE  HN          4.50    (#   1022:10  Unique         2.05, 4.09 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 637, 645,
 &end
#
#   67 GLU  HN           68 GLU  HN          2.80    (#   1024:10  Unique         2.26, 2.39 A)
 &rst
  ixpk= 1024, nxpk= 10, iat= 988,1003, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 LYS  HN           68 GLU  HN          2.80    (#   1025:10  Unique         2.33, 2.67 A)
 &rst
  ixpk= 1025, nxpk= 10, iat=1018,1003, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 GLU  HN            5 PHE  HN          4.50    (#   1026:10  Unique         3.09, 4.16 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=  83,  63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HN            5 PHE  HN          3.50    (#   1027:10  Unique         1.90, 2.13 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=  41,  63, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HD            5 PHE  HN          4.50    (#   1028:10  Unique         1.95, 3.87 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  79,
 &end
#
#   35 VAL  HN           23 ALA  HN          3.50    (#   1030:10  Unique         2.91, 3.49 A)
 &rst
  ixpk= 1030, nxpk= 10, iat= 497, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1031    23 ALA  HN          4.50    (#   1031:10  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 333, 285,
 &end
#
#    0 AMB  10-2:1032    23 ALA  HN          4.50    (#   1032:10  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 316, 280, 281,
 &end
#
#   23 ALA  HA           23 ALA  HN          3.50    (#   1033:10  Unique         2.93, 2.93 A)
 &rst
  ixpk= 1033, nxpk= 10, iat= 325, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 ILE  HN           49 ASN  HN          3.50    (#   1034:10  Unique         2.19, 2.35 A)
 &rst
  ixpk= 1034, nxpk= 10, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 ASN  HD2-         49 ASN  HN          2.80    (#   1035:10  Unique         1.81, 2.62 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 727, 728,
 &end
#
#   50 GLU  HN           49 ASN  HN          2.80    (#   1036:10  Unique         2.34, 2.56 A)
 &rst
  ixpk= 1036, nxpk= 10, iat= 732, 718, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:1037    49 ASN  HN          4.50    (#   1037:10  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 747, 764,
 &end
#
#   49 ASN  HD2+         49 ASN  HN          3.50    (#   1038:10  Unique         1.81, 2.62 A)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 727, 728,
 &end
#
#   79 THR  HN           78 ALA  HN          3.50    (#   1039:10  Unique         2.24, 2.47 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=1182,1172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 ILE  HN           78 ALA  HN          4.50    (#   1040:10  Unique         3.78, 4.00 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=1129,1172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 GLN  HN           78 ALA  HN          4.50    (#   1041:10  Unique         3.74, 4.10 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=1196,1172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 SER  HA           78 ALA  HN          5.50    (#   1042:10  Unique         4.04, 4.43 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=1120,1172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLN  HN           31 THR  HN          4.50    (#   1043:10  Unique         3.61, 3.86 A)
 &rst
  ixpk= 1043, nxpk= 10, iat= 454, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HN           31 THR  HN          5.50    (#   1044:10  Unique         3.77, 3.91 A)
 &rst
  ixpk= 1044, nxpk= 10, iat= 379, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 GLU  HN           31 THR  HN          2.80    (#   1045:10  Unique         1.87, 1.96 A)
 &rst
  ixpk= 1045, nxpk= 10, iat= 425, 440, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ILE  HN            0 AMB  10-1:1046   5.50    (#   1046:10  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 10, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 560, 323,
 &end
#
#    0 AMB  10-2:1048    58 VAL  HN          2.80    (#   1048:10  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 212, 183,
 &end
#
#   57 GLU  HN           58 VAL  HN          4.50    (#   1049:10  Unique         4.36, 4.37 A)
 &rst
  ixpk= 1049, nxpk= 10, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HA           58 VAL  HN          2.80    (#   1050:10  Unique         2.15, 2.15 A)
 &rst
  ixpk= 1050, nxpk= 10, iat= 831, 844, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 GLN  HN           58 VAL  HN          4.50    (#   1051:10  Unique         4.37, 4.46 A)
 &rst
  ixpk= 1051, nxpk= 10, iat= 860, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 LYS  HA           58 VAL  HN          3.50    (#   1052:10  Unique         1.94, 2.57 A)
 &rst
  ixpk= 1052, nxpk= 10, iat= 192, 844, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 HIS  HN           39 GLU  HN          5.50    (#   1053:10  Unique         4.18, 4.37 A)
 &rst
  ixpk= 1053, nxpk= 10, iat= 513, 560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1054     0 AMB  10-1:1054   2.80    (#   1054:10  Double Ambig)
 &rst
  ixpk= 1054, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1332, 549,
 igr2=1321, 560,
 &end
#
#   41 THR  HN           39 GLU  HN          7.00    (#   1055:10  Unique         4.00, 4.20 A)
 &rst
  ixpk= 1055, nxpk= 10, iat= 591, 560, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   40 VAL  HN           39 GLU  HN          2.80    (#   1056:10  Unique         2.24, 2.38 A)
 &rst
  ixpk= 1056, nxpk= 10, iat= 575, 560, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ALA  HN           14 LYS  HN          3.50    (#   1058:10  Unique         2.21, 2.92 A)
 &rst
  ixpk= 1058, nxpk= 10, iat= 369, 190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1059    14 LYS  HN          4.50    (#   1059:10  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 183, 212,
 &end
#
#   14 LYS  HA           14 LYS  HN          3.50    (#   1060:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1060, nxpk= 10, iat= 192, 190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GLU  HA           14 LYS  HN          5.50    (#   1061:10  Unique         4.19, 4.64 A)
 &rst
  ixpk= 1061, nxpk= 10, iat= 831, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LYS  HN           71 LYS  HN          4.50    (#   1062:10  Unique         3.82, 4.16 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=1018,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1063    38 SER  HN          7.00    (#   1063:10  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 591, 649,
 &end
#
#   39 GLU  HN           38 SER  HN          2.80    (#   1064:10  Unique         2.38, 2.49 A)
 &rst
  ixpk= 1064, nxpk= 10, iat= 560, 549, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ILE  HN           38 SER  HN          3.50    (#   1065:10  Unique         2.57, 2.68 A)
 &rst
  ixpk= 1065, nxpk= 10, iat= 530, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 VAL  HN            9 SER  HN          4.50    (#   1067:10  Unique         3.93, 4.39 A)
 &rst
  ixpk= 1067, nxpk= 10, iat= 915, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 GLY  HN            9 SER  HN          2.80    (#   1068:10  Unique         2.49, 2.73 A)
 &rst
  ixpk= 1068, nxpk= 10, iat= 114, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 PHE  HD            9 SER  HN          7.00    (#   1069:10  Unique         4.15, 6.70 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  71,  79,
 &end
#
#   72 ILE  HN           71 LYS  HN          4.50    (#   1070:10  Unique         4.23, 4.45 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=1069,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HN           71 LYS  HN          3.50    (#   1071:10  Unique         3.09, 3.37 A)
 &rst
  ixpk= 1071, nxpk= 10, iat= 976,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 GLY  HN           71 LYS  HN          2.80    (#   1072:10  Unique         2.15, 2.39 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=1040,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 GLU  HN            0 AMB  10-1:1076   4.50    (#   1076:10  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 10, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 764, 687,
 &end
#
#   53 SER  HN           52 LEU  HN          4.50    (#   1078:10  Unique         4.32, 4.49 A)
 &rst
  ixpk= 1078, nxpk= 10, iat= 783, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LEU  HN           64 ALA  HN          2.80    (#   1080:10  Unique         1.95, 2.20 A)
 &rst
  ixpk= 1080, nxpk= 10, iat= 931, 950, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   73 SER  HN           64 ALA  HN          3.50    (#   1081:10  Unique         3.76, 4.05 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1088, 950, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  HA           64 ALA  HN          4.50    (#   1082:10  Unique         4.27, 4.75 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1101, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1085    55 GLY  HN          4.50    (#   1085:10  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 794, 249, 333,
 &end
#
#   56 ASP  HN           55 GLY  HN          2.80    (#   1086:10  Unique         2.29, 2.51 A)
 &rst
  ixpk= 1086, nxpk= 10, iat= 817, 810, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 VAL  HN            8 GLY  HN          4.50    (#   1090:10  Unique         4.27, 4.56 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  98, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 SER  HN            8 GLY  HN          2.80    (#   1091:10  Unique         2.49, 2.73 A)
 &rst
  ixpk= 1091, nxpk= 10, iat= 121, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 VAL  HN            8 GLY  HN          4.50    (#   1092:10  Unique         3.35, 3.91 A)
 &rst
  ixpk= 1092, nxpk= 10, iat= 915, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 TYR  HD           12 THR  HN          3.50    (#   1093:10  Unique         2.22, 4.14 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 156, 165,
 &end
#
#   12 THR  HA           12 THR  HN          3.50    (#   1094:10  Unique         2.87, 2.93 A)
 &rst
  ixpk= 1094, nxpk= 10, iat= 171, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLY  HN           12 THR  HN          4.50    (#   1095:10  Unique         3.82, 4.25 A)
 &rst
  ixpk= 1095, nxpk= 10, iat= 183, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 PHE  HD           12 THR  HN          7.00    (#   1096:10  Unique         4.01, 6.79 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  71,  79,
 &end
#
#   49 ASN  HN           50 GLU  HN          2.80    (#   1099:10  Unique         2.34, 2.56 A)
 &rst
  ixpk= 1099, nxpk= 10, iat= 718, 732, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 HIS  HN           50 GLU  HN          2.80    (#   1100:10  Unique         2.18, 2.51 A)
 &rst
  ixpk= 1100, nxpk= 10, iat= 747, 732, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   29 GLU  HN           30 GLU  HN          3.50    (#   1102:10  Unique         2.62, 2.68 A)
 &rst
  ixpk= 1102, nxpk= 10, iat= 410, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HN           30 GLU  HN          2.80    (#   1103:10  Unique         1.87, 1.96 A)
 &rst
  ixpk= 1103, nxpk= 10, iat= 440, 425, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 ASN  HN           51 HIS  HN          4.50    (#   1104:10  Unique         3.77, 4.07 A)
 &rst
  ixpk= 1104, nxpk= 10, iat= 718, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           51 HIS  HN          2.80    (#   1105:10  Unique         2.18, 2.51 A)
 &rst
  ixpk= 1105, nxpk= 10, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 ASN  HN           49 ASN  HD2-        3.50    (#   1107:10  Unique         1.81, 2.62 A)
 &rst
  ixpk= 1107, nxpk= 10, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 727, 728,
 &end
#
#   29 GLU  HN           28 ASP  HN          4.50    (#   1110:10  Unique         2.34, 2.51 A)
 &rst
  ixpk= 1110, nxpk= 10, iat= 410, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LEU  HN           28 ASP  HN          2.80    (#   1111:10  Unique         2.08, 2.54 A)
 &rst
  ixpk= 1111, nxpk= 10, iat= 379, 398, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 GLU  HN           28 ASP  HN          4.50    (#   1112:10  Unique         2.62, 2.77 A)
 &rst
  ixpk= 1112, nxpk= 10, iat= 425, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 THR  HN           28 ASP  HN          3.50    (#   1113:10  Unique         2.67, 2.96 A)
 &rst
  ixpk= 1113, nxpk= 10, iat= 440, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLN  HA           28 ASP  HN          7.00    (#   1115:10  Unique         4.69, 5.10 A)
 &rst
  ixpk= 1115, nxpk= 10, iat= 456, 398, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   49 ASN  HN           49 ASN  HD2+        4.50    (#   1116:10  Unique         1.81, 2.62 A)
 &rst
  ixpk= 1116, nxpk= 10, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 727, 728,
 &end
#
#   67 GLU  HN           69 LYS  HN          4.50    (#   1120:10  Unique         4.10, 4.40 A)
 &rst
  ixpk= 1120, nxpk= 10, iat= 988,1018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLU  HN           69 LYS  HN          2.80    (#   1121:10  Unique         2.33, 2.67 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=1003,1018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   70 GLY  HN           69 LYS  HN          2.80    (#   1122:10  Unique         1.99, 2.32 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=1040,1018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 LYS  HN           69 LYS  HN          4.50    (#   1123:10  Unique         3.82, 4.16 A)
 &rst
  ixpk= 1123, nxpk= 10, iat=1047,1018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 GLU  HN           29 GLU  HN          3.50    (#   1125:10  Unique         2.62, 2.68 A)
 &rst
  ixpk= 1125, nxpk= 10, iat= 425, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HN           29 GLU  HN          4.50    (#   1127:10  Unique         4.00, 4.13 A)
 &rst
  ixpk= 1127, nxpk= 10, iat= 440, 410, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASP  HN           29 GLU  HN          5.50    (#   1129:10  Unique         2.34, 2.51 A)
 &rst
  ixpk= 1129, nxpk= 10, iat= 398, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1132    13 GLY  HN          2.80    (#   1132:10  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 844, 169,
 &end
#
#   14 LYS  HN           13 GLY  HN          4.50    (#   1133:10  Unique         3.85, 4.23 A)
 &rst
  ixpk= 1133, nxpk= 10, iat= 190, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1134    13 GLY  HN          2.80    (#   1134:10  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 171, 862,
 &end
#
#    0 AMB  10-2:1136    53 SER  HN          4.50    (#   1136:10  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 794, 844,
 &end
#
#   56 ASP  HN           53 SER  HN          7.00    (#   1138:10  Unique         4.98, 5.32 A)
 &rst
  ixpk= 1138, nxpk= 10, iat= 817, 783, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   52 LEU  HN           53 SER  HN          4.50    (#   1139:10  Unique         4.32, 4.49 A)
 &rst
  ixpk= 1139, nxpk= 10, iat= 764, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 ILE  HN           75 SER  HN          4.50    (#   1162:10  Unique         3.91, 4.15 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=1129,1118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  HN           75 SER  HN          4.50    (#   1163:10  Unique         4.44, 4.50 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=1099,1118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  HA           75 SER  HN          2.80    (#   1164:10  Unique         2.19, 2.29 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=1101,1118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 SER  HA           75 SER  HN          3.50    (#   1165:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=1120,1118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLY  HN           60 VAL  HN          4.50    (#   1168:10  Unique         3.84, 4.55 A)
 &rst
  ixpk= 1168, nxpk= 10, iat= 183, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 GLN  HN           60 VAL  HN          4.50    (#   1169:10  Unique         3.53, 4.37 A)
 &rst
  ixpk= 1169, nxpk= 10, iat= 860, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1170    60 VAL  HN          2.80    (#   1170:10  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 862, 171,
 &end
#
#   68 GLU  HN           70 GLY  HN          5.50    (#   1176:10  Unique         3.37, 3.68 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=1003,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LYS  HN           70 GLY  HN          2.80    (#   1177:10  Unique         1.99, 2.32 A)
 &rst
  ixpk= 1177, nxpk= 10, iat=1018,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 LYS  HN           70 GLY  HN          2.80    (#   1178:10  Unique         2.15, 2.39 A)
 &rst
  ixpk= 1178, nxpk= 10, iat=1047,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 VAL  HN           41 THR  HN          3.50    (#   1179:10  Unique         1.91, 2.27 A)
 &rst
  ixpk= 1179, nxpk= 10, iat= 575, 591, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLU  HN           41 THR  HN          5.50    (#   1180:10  Unique         4.00, 4.20 A)
 &rst
  ixpk= 1180, nxpk= 10, iat= 560, 591, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1181    22 GLY  HN          3.50    (#   1181:10  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 268, 323,
 &end
#
#   21 TYR  HD           22 GLY  HN          5.50    (#   1182:10  Unique         3.16, 4.94 A)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 303, 312,
 &end
#
#   21 TYR  HN           22 GLY  HN          2.80    (#   1183:10  Unique         1.79, 2.16 A)
 &rst
  ixpk= 1183, nxpk= 10, iat= 295, 316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 VAL  HN           17 GLY  HN          7.00    (#   1184:10  Unique         5.93, 6.17 A)
 &rst
  ixpk= 1184, nxpk= 10, iat= 212, 242, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1185    17 GLY  HN          2.80    (#   1185:10  Single Ambig)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 333, 249,
 &end
#
#   23 ALA  HA           17 GLY  HN          5.50    (#   1186:10  Unique         4.50, 4.83 A)
 &rst
  ixpk= 1186, nxpk= 10, iat= 325, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 THR  HN           17 GLY  HN          2.80    (#   1187:10  Unique         1.89, 2.03 A)
 &rst
  ixpk= 1187, nxpk= 10, iat= 228, 242, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 PHE  HD           17 GLY  HN          4.50    (#   1188:10  Unique         5.18, 5.94 A)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 341, 349,
 &end
#
#    0 AMB  10-2:1191    33 GLY  HN          5.50    (#   1191:10  Single Ambig)
 &rst
  ixpk= 1191, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 497,
 &end
#
#   27 LEU  HN           33 GLY  HN          5.50    (#   1192:10  Unique         3.73, 4.34 A)
 &rst
  ixpk= 1192, nxpk= 10, iat= 379, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLN  HA           33 GLY  HN          2.80    (#   1193:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 1193, nxpk= 10, iat= 456, 471, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:1194    33 GLY  HN          5.50    (#   1194:10  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335,1090,
 &end
#
#   34 LEU  HA           33 GLY  HN          5.50    (#   1195:10  Unique         4.90, 5.30 A)
 &rst
  ixpk= 1195, nxpk= 10, iat= 480, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1196    33 GLY  HN          4.50    (#   1196:10  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 478, 398,
 &end
#
#   75 SER  HA           79 THR  HN          7.00    (#   1197:10  Unique         5.47, 5.92 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=1120,1182, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   78 ALA  HN           79 THR  HN          3.50    (#   1198:10  Unique         2.24, 2.47 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=1172,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 GLN  HN           79 THR  HN          2.80    (#   1199:10  Unique         2.28, 2.67 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=1196,1182, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ALA  HN           21 TYR  HN          4.50    (#   1200:10  Unique         2.36, 2.53 A)
 &rst
  ixpk= 1200, nxpk= 10, iat= 285, 295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLY  HN           21 TYR  HN          2.80    (#   1201:10  Unique         1.79, 2.16 A)
 &rst
  ixpk= 1201, nxpk= 10, iat= 316, 295, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 TYR  HD           21 TYR  HN          4.50    (#   1202:10  Unique         2.28, 3.82 A)
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 303, 312,
 &end
#
#    0 AMB  10-2:1205     0 AMB  10-1:1205   4.50    (#   1205:10  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 976,1099, 268, 960,
 igr2=1088, 249,
 &end
#
#   20 ALA  HN           19 GLN  HN          4.50    (#   1206:10  Unique         1.89, 4.18 A)
 &rst
  ixpk= 1206, nxpk= 10, iat= 285, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1207    12 THR  HN          4.50    (#   1207:10  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 148, 877,
 &end
#
#   63 LEU  HN           75 SER  HN          4.50    (#   1208:10  Unique         3.73, 4.18 A)
 &rst
  ixpk= 1208, nxpk= 10, iat= 931,1118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 ILE  HG1-         72 ILE  HN          4.50    (#   1222:10  Unique         2.23, 3.22 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1079,1080,
 &end
#
#    0 AMB  10-2:1227    66 ASP  HN          2.80    (#   1227:10  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#   66 ASP  HA           66 ASP  HN          3.50    (#   1228:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 1228, nxpk= 10, iat= 978, 976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  HA           62 VAL  HN          3.50    (#   1229:10  Unique         3.19, 3.87 A)
 &rst
  ixpk= 1229, nxpk= 10, iat= 134, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 ASP  HA           67 GLU  HN          3.50    (#   1230:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 1230, nxpk= 10, iat= 978, 988, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 THR  HN           40 VAL  HN          3.50    (#   1231:10  Unique         1.91, 2.27 A)
 &rst
  ixpk= 1231, nxpk= 10, iat= 591, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LEU  HN           74 LEU  HN          4.50    (#   1232:10  Unique         3.28, 3.85 A)
 &rst
  ixpk= 1232, nxpk= 10, iat= 478,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 LEU  HA           24 PHE  HN          3.50    (#   1236:10  Unique         3.02, 3.46 A)
 &rst
  ixpk= 1236, nxpk= 10, iat= 251, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1238    84 GLU  HN          4.50    (#   1238:10  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1254,1255,1254,1255,1240,1241,
 &end
#
#  106 GLN  HB+         106 GLN  HN          3.50    (#   1239:10  Unique         2.21, 3.19 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1,1593, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1597,1598,
 &end
#
#   18 LEU  HA           19 GLN  HN          2.80    (#   1241:10  Unique         2.14, 2.23 A)
 &rst
  ixpk= 1241, nxpk= 10, iat= 251, 268, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:1244    31 THR  HN          7.00    (#   1244:10  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1, 440, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1082,1083,1084, 359, 360, 361, 363, 364, 365,
 &end
#
#   28 ASP  HN           31 THR  HN          3.50    (#   1246:10  Unique         2.67, 2.96 A)
 &rst
  ixpk= 1246, nxpk= 10, iat= 398, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 VAL  HA           58 VAL  HN          3.50    (#   1247:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 1247, nxpk= 10, iat= 846, 844, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLY  HA+          14 LYS  HN          2.80    (#   1248:10  Unique         2.14, 2.59 A)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 185, 186,
 &end
#
#    0 AMB  10-2:1249    64 ALA  HN          4.50    (#   1249:10  Single Ambig)
 &rst
  ixpk= 1249, nxpk= 10, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 960,  98,1099,
 &end
#
#   11 TYR  HA           12 THR  HN          2.80    (#   1250:10  Unique         2.22, 2.37 A)
 &rst
  ixpk= 1250, nxpk= 10, iat= 150, 169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   28 ASP  HN           30 GLU  HN          4.50    (#   1251:10  Unique         2.62, 2.77 A)
 &rst
  ixpk= 1251, nxpk= 10, iat= 398, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GLY  HA+          13 GLY  HN          2.80    (#   1255:10  Unique         2.51, 2.78 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 185, 186,
 &end
#
#   60 VAL  HN           13 GLY  HN          4.50    (#   1256:10  Unique         3.84, 4.55 A)
 &rst
  ixpk= 1256, nxpk= 10, iat= 877, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LEU  HA           80 GLN  HE2+        4.50    (#   1257:10  Unique         3.98, 7.69 A)
 &rst
  ixpk= 1257, nxpk= 10, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1208,1209,
 &end
#
#   52 LEU  HA           80 GLN  HE2-        4.50    (#   1258:10  Unique         3.98, 7.69 A)
 &rst
  ixpk= 1258, nxpk= 10, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1208,1209,
 &end
#
#   18 LEU  HA           22 GLY  HN          5.50    (#   1263:10  Unique         4.51, 5.38 A)
 &rst
  ixpk= 1263, nxpk= 10, iat= 251, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1265    54 VAL  HN          3.50    (#   1265:10  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 &end
#
#   58 VAL  HA           59 GLN  HN          2.80    (#   1266:10  Unique         2.17, 2.26 A)
 &rst
  ixpk= 1266, nxpk= 10, iat= 846, 860, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 TYR  HA           11 TYR  HN          3.50    (#   1267:10  Unique         2.77, 2.90 A)
 &rst
  ixpk= 1267, nxpk= 10, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1268    23 ALA  HN          4.50    (#   1268:10  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 10, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 515, 499,
 &end
#
#   52 LEU  HA           52 LEU  HN          3.50    (#   1270:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 1270, nxpk= 10, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  MGY          61 LYS  HN          3.50    (#   1273:10  Unique         3.31, 4.50 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 883, 884, 885, 887, 888, 889,
 &end
#
#   70 GLY  HN           68 GLU  HN          4.50    (#   1275:10  Unique         3.37, 3.68 A)
 &rst
  ixpk= 1275, nxpk= 10, iat=1040,1003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1278   116 GLU  HN          4.50    (#   1278:10  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1,1759, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1763,1764,1763,1764,
 &end
#
#   77 ARG  HD+          77 ARG  HN          4.50    (#   1287:10  Unique         3.53, 4.29 A)
 &rst
  ixpk= 1287, nxpk= 10, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1158,1159,
 &end
#
#  126 ASP  HA          126 ASP  HN          4.50    (#   1288:10  Unique         2.28, 2.81 A)
 &rst
  ixpk= 1288, nxpk= 10, iat=1937,1935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 SER  HN            6 GLU  HN          4.50    (#   1291:10  Unique         4.05, 4.68 A)
 &rst
  ixpk= 1291, nxpk= 10, iat= 121,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 VAL  HB            7 VAL  HN          5.50    (#   1292:10  Unique         3.90, 6.10 A)
 &rst
  ixpk= 1292, nxpk= 10, iat= 919,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1293     8 GLY  HN          5.50    (#   1293:10  Single Ambig)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 897, 898, 935, 936, 935, 936,
 &end
#
#   54 VAL  HA           16 THR  HN          5.50    (#   1294:10  Unique         4.43, 4.76 A)
 &rst
  ixpk= 1294, nxpk= 10, iat= 796, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 GLY  HA-          16 THR  HN          4.50    (#   1295:10  Unique         4.46, 4.65 A)
 &rst
  ixpk= 1295, nxpk= 10, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 244, 245,
 &end
#
#   16 THR  HA           16 THR  HN          3.50    (#   1296:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 1296, nxpk= 10, iat= 230, 228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1297    21 TYR  HN          4.50    (#   1297:10  Single Ambig)
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 712, 713, 714, 536, 537, 538,
 &end
#
#    0 AMB  10-2:1298    21 TYR  HN          4.50    (#   1298:10  Single Ambig)
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 543, 544, 545, 258, 259, 260, 262, 263, 264,
 &end
#
#   19 GLN  HG-          21 TYR  HN          5.50    (#   1299:10  Unique         2.94, 4.93 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 275, 276,
 &end
#
#   34 LEU  MDY          22 GLY  HN          4.50    (#   1300:10  Unique         4.84, 6.88 A)
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   19 GLN  HG+          22 GLY  HN          4.50    (#   1301:10  Unique         4.16, 5.18 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 275, 276,
 &end
#
#   19 GLN  HG-          22 GLY  HN          4.50    (#   1302:10  Unique         4.16, 5.18 A)
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 275, 276,
 &end
#
#   21 TYR  HB-          22 GLY  HN          4.50    (#   1303:10  Unique         2.78, 3.64 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 299, 300,
 &end
#
#   37 ILE  HA           22 GLY  HN          7.00    (#   1304:10  Unique         4.02, 5.39 A)
 &rst
  ixpk= 1304, nxpk= 10, iat= 532, 316, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1305     0 AMB  10-1:1305   2.80    (#   1305:10  Double Ambig)
 &rst
  ixpk= 1305, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1323, 562,
 igr2=1321, 560,
 &end
#
#    0 AMB  10-2:1306    24 PHE  HN          3.50    (#   1306:10  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 218, 219, 220, 222, 223, 224, 800, 801, 802, 804,
       805, 806,
 &end
#
#    0 AMB  10-2:1307    30 GLU  HN          4.50    (#   1307:10  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 450, 446, 447, 448,
 &end
#
#   26 ALA  MB           31 THR  HN          7.00    (#   1308:10  Unique         4.89, 6.33 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 373, 374, 375,
 &end
#
#   34 LEU  MDY          36 HIS  HN          4.50    (#   1310:10  Unique         3.37, 5.44 A)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#   74 LEU  HB+          36 HIS  HN          5.50    (#   1311:10  Unique         4.33, 6.08 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1103,1104,
 &end
#
#   34 LEU  MDY          37 ILE  HN          4.50    (#   1312:10  Unique         4.88, 6.90 A)
 &rst
  ixpk= 1312, nxpk= 10, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#    0 AMB  10-2:1313    40 VAL  HN          4.50    (#   1313:10  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 10, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 540, 541, 540, 541,
 &end
#
#   40 VAL  HB           40 VAL  HN          2.80    (#   1314:10  Unique         2.51, 2.56 A)
 &rst
  ixpk= 1314, nxpk= 10, iat= 579, 575, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 ARG  HA           41 THR  HN          7.00    (#   1315:10  Unique         4.95, 5.38 A)
 &rst
  ixpk= 1315, nxpk= 10, iat=1150, 591, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   37 ILE  QD1          45 VAL  HN          5.50    (#   1316:10  Unique         3.37, 5.28 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 543, 544, 545,
 &end
#
#   49 ASN  HN            0 AMB  10-1:1317   4.50    (#   1317:10  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 10, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 764, 687,
 &end
#
#    0 AMB  10-2:1318    48 ILE  HN          4.50    (#   1318:10  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 709, 710, 709, 710, 289, 290, 291, 256,
 &end
#
#   48 ILE  QG2          49 ASN  HN          2.80    (#   1319:10  Unique         1.91, 3.09 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 705, 706, 707,
 &end
#
#    0 AMB  10-2:1320    49 ASN  HN          4.50    (#   1320:10  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 258, 259, 260, 262, 263, 264, 712, 713, 714,
 &end
#
#   50 GLU  HB+          49 ASN  HN          5.50    (#   1321:10  Unique         4.44, 5.41 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 736, 737,
 &end
#
#    0 AMB  10-2:1324     0 AMB  10-1:1324   4.50    (#   1324:10  Double Ambig)
 &rst
  ixpk= 1324, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 258, 259, 260, 262, 263, 264, 258, 259, 260, 262,
       263, 264,
 igr2= 727, 728, 727, 728,
 &end
#
#   45 VAL  MGY          50 GLU  HN          5.50    (#   1325:10  Unique         5.01, 7.35 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 655, 656, 657, 659, 660, 661,
 &end
#
#   51 HIS  HA           50 GLU  HN          5.50    (#   1326:10  Unique         4.87, 5.16 A)
 &rst
  ixpk= 1326, nxpk= 10, iat= 749, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 ASN  HD2+         50 GLU  HN          5.50    (#   1327:10  Unique         1.91, 4.21 A)
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   49 ASN  HD2-         50 GLU  HN          4.50    (#   1328:10  Unique         1.91, 4.21 A)
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   48 ILE  HN           50 GLU  HN          4.50    (#   1329:10  Unique         3.64, 4.01 A)
 &rst
  ixpk= 1329, nxpk= 10, iat= 699, 732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ASP  HN           54 VAL  HN          5.50    (#   1332:10  Unique         4.64, 5.00 A)
 &rst
  ixpk= 1332, nxpk= 10, iat= 817, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1333    55 GLY  HN          4.50    (#   1333:10  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 194, 195, 194, 195, 200, 201,
 &end
#
#    0 AMB  10-2:1334    56 ASP  HN          4.50    (#   1334:10  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198, 768, 769, 253, 254,
 &end
#
#   53 SER  HB+          56 ASP  HN          5.50    (#   1335:10  Unique         4.17, 5.00 A)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 787, 788,
 &end
#
#    0 AMB  10-2:1336    57 GLU  HN          4.50    (#   1336:10  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 200, 201, 200, 201, 194, 195,
 &end
#
#   57 GLU  HB+          57 GLU  HN          2.80    (#   1337:10  Unique         2.28, 2.56 A)
 &rst
  ixpk= 1337, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 833, 834,
 &end
#
#   58 VAL  MGX          59 GLN  HN          3.50    (#   1338:10  Unique         2.00, 4.20 A)
 &rst
  ixpk= 1338, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   60 VAL  HA           61 LYS  HN          2.80    (#   1339:10  Unique         2.16, 2.34 A)
 &rst
  ixpk= 1339, nxpk= 10, iat= 879, 893, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 VAL  HN           61 LYS  HN          4.50    (#   1340:10  Unique         4.28, 4.44 A)
 &rst
  ixpk= 1340, nxpk= 10, iat= 915, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1341    62 VAL  HN          4.50    (#   1341:10  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 125, 126, 116, 117,
 &end
#
#   63 LEU  HN           62 VAL  HN          4.50    (#   1342:10  Unique         4.14, 4.48 A)
 &rst
  ixpk= 1342, nxpk= 10, iat= 931, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1343    63 LEU  HN          4.50    (#   1343:10  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 104, 105, 106, 108, 109, 110,1103,1104,
 &end
#
#    0 AMB  10-2:1344    63 LEU  HN          2.80    (#   1344:10  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 935, 936, 935, 936,
 &end
#
#    0 AMB  10-2:1345    63 LEU  HN          4.50    (#   1345:10  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1099, 960,
 &end
#
#    0 AMB  10-2:1346    67 GLU  HN          4.50    (#   1346:10  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 966, 967, 968, 970, 971, 972, 966, 967, 968, 970,
       971, 972,
 &end
#
#   67 GLU  HB+          67 GLU  HN          2.80    (#   1347:10  Unique         2.21, 3.00 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 992, 993,
 &end
#
#   66 ASP  HB-          70 GLY  HN          4.50    (#   1351:10  Unique         2.21, 3.49 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   71 LYS  HA           70 GLY  HN          5.50    (#   1352:10  Unique         4.84, 5.03 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=1049,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 ASP  HN           70 GLY  HN          5.50    (#   1353:10  Unique         4.28, 4.69 A)
 &rst
  ixpk= 1353, nxpk= 10, iat= 976,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LYS  HB+          71 LYS  HN          4.50    (#   1354:10  Unique         2.76, 3.87 A)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1022,1023,
 &end
#
#   66 ASP  HA           71 LYS  HN          5.50    (#   1355:10  Unique         4.32, 4.64 A)
 &rst
  ixpk= 1355, nxpk= 10, iat= 978,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 SER  HN           76 ILE  HN          4.50    (#   1356:10  Unique         3.91, 4.15 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=1118,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ARG  HN           78 ALA  HN          2.80    (#   1357:10  Unique         2.35, 2.58 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=1148,1172, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   79 THR  MG2          79 THR  HN          2.80    (#   1358:10  Unique         1.96, 2.93 A)
 &rst
  ixpk= 1358, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1188,1189,1190,
 &end
#
#    0 AMB  10-2:1359    79 THR  HN          4.50    (#   1359:10  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 897, 898, 935, 936,
 &end
#
#   61 LYS  HN           79 THR  HN          5.50    (#   1360:10  Unique         4.67, 5.35 A)
 &rst
  ixpk= 1360, nxpk= 10, iat= 893,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ALA  HA           82 ALA  HN          4.50    (#   1363:10  Unique         2.86, 2.94 A)
 &rst
  ixpk= 1363, nxpk= 10, iat=1225,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1364     0 AMB  10-1:1364   3.50    (#   1364:10  Double Ambig)
 &rst
  ixpk= 1364, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1531,1215,
 igr2=1544,1223,
 &end
#
#   82 ALA  MB           82 ALA  HN          2.80    (#   1365:10  Unique         2.15, 3.17 A)
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1227,1228,1229,
 &end
#
#  102 ALA  MB          102 ALA  HN          2.80    (#   1366:10  Unique         2.09, 2.98 A)
 &rst
  ixpk= 1366, nxpk= 10, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1548,1549,1550,
 &end
#
#   87 GLU  HB+          87 GLU  HN          4.50    (#   1368:10  Unique         2.26, 2.86 A)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1310,1311,
 &end
#
#   87 GLU  HB-          87 GLU  HN          4.50    (#   1369:10  Unique         2.26, 2.86 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1310,1311,
 &end
#
#    0 AMB  10-2:1370    87 GLU  HN          5.50    (#   1370:10  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1313,1314,1313,1314,
 &end
#
#   91 ARG  HA           92 LYS  HN          3.50    (#   1371:10  Unique         2.14, 2.55 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=1370,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1373    44 PHE  HN          5.50    (#   1373:10  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 597, 598, 599, 601, 655, 656, 657, 659, 660, 661,
      
 &end
#
#   93 PRO  HA           94 LYS  HN          3.50    (#   1376:10  Unique         2.16, 2.36 A)
 &rst
  ixpk= 1376, nxpk= 10, iat=1424,1428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1388   112 LYS  HN          3.50    (#   1388:10  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 10, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1688,1689,1688,1689,
 &end
#
#    0 AMB  10-2:1389   118 TRP  HN          4.50    (#   1389:10  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 10, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1778,1779,1778,1779,
 &end
#
#    0 AMB  10-2:1390   118 TRP  HN          3.50    (#   1390:10  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 10, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1793,1794,1793,1794,
 &end
#
#  117 GLU  HA          118 TRP  HN          4.50    (#   1391:10  Unique         2.14, 2.48 A)
 &rst
  ixpk= 1391, nxpk= 10, iat=1776,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1392   115 LEU  HN          4.50    (#   1392:10  Single Ambig)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1722,1723,1722,1723,
 &end
#
#  116 GLU  HA          116 GLU  HN          4.50    (#   1393:10  Unique         2.27, 2.87 A)
 &rst
  ixpk= 1393, nxpk= 10, iat=1761,1759, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1394   116 GLU  HN          4.50    (#   1394:10  Single Ambig)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1,1759, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1744,1745,1744,1745,
 &end


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