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
501249 2l17 cing 1-original 5 AMBER distance NOE ambi


#
#   33 THR  MG2          33 THR  HB          2.80    (#      0:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 510, 511, 512,
 &end
#
#   61 THR  MG2          61 THR  HB          2.80    (#      1:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1, 903, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 905, 906, 907,
 &end
#
#   62 SER  HN           61 THR  HB          3.50    (#      3:25  Unique         1.68, 2.44 A)
 &rst
  ixpk= 3, nxpk= 25, iat= 913, 903, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4        0 AMB  25-1:4      2.80    (#      4:25  Double Ambig)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 386, 387, 388, 610, 611,
 igr2= 384, 903,
 &end
#
#   92 THR  MG2          92 THR  HB          2.80    (#      6:25  Unique         2.31, 2.68 A)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1354,1355,1356,
 &end
#
#  114 THR  MG2         114 THR  HB          2.80    (#      7:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1708,1709,1710,
 &end
#
#  123 VAL  MGY         123 VAL  HA          2.80    (#      8:25  Unique         2.39, 3.17 A)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  MGX         123 VAL  HA          2.80    (#      9:25  Unique         2.39, 3.17 A)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  101 LEU  HG          119 VAL  HA          3.50    (#     10:25  Unique         2.73, 3.05 A)
 &rst
  ixpk= 10, nxpk= 25, iat=1508,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  MG2         114 THR  HA          2.80    (#     11:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1708,1709,1710,
 &end
#
#    0 AMB  25-2:12       0 AMB  25-1:12     2.80    (#     12:25  Double Ambig)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728, 556, 557, 558, 560, 561, 562,
 igr2=1718, 522, 523,
 &end
#
#  111 VAL  MGY         111 VAL  HA          2.80    (#     13:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         111 VAL  HA          2.80    (#     14:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  114 THR  HB          111 VAL  HA          2.80    (#     15:25  Unique         2.25, 2.43 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1706,1644, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 THR  MG2          45 THR  HA          2.80    (#     16:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 680, 681, 682,
 &end
#
#   48 ALA  MB           45 THR  HA          2.80    (#     17:25  Unique         2.63, 3.69 A)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#   24 THR  MG2          24 THR  HA          2.80    (#     18:25  Unique         2.87, 3.48 A)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 386, 387, 388,
 &end
#
#   44 PRO  HB+          44 PRO  HA          2.80    (#     19:25  Unique         2.22, 2.54 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 667, 668,
 &end
#
#   47 ILE  HB           44 PRO  HA          2.80    (#     20:25  Unique         2.14, 2.32 A)
 &rst
  ixpk= 20, nxpk= 25, iat= 702, 670, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  QD1          44 PRO  HA          2.80    (#     21:25  Unique         2.25, 3.65 A)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 711, 712, 713,
 &end
#
#  131 SER  HA          131 SER  HB+         2.80    (#     22:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 22, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1995,1996,
 &end
#
#    0 AMB  25-2:24     127 ILE  HA          2.80    (#     24:25  Single Ambig)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1931,1932,1925,
 &end
#
#  130 ILE  HG1+        127 ILE  HA          2.80    (#     25:25  Unique         2.16, 2.96 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  127 ILE  HG1+        127 ILE  HA          2.80    (#     26:25  Unique         2.13, 2.43 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1931,1932,
 &end
#
#    0 AMB  25-2:27     127 ILE  HA          2.80    (#     27:25  Single Ambig)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1927,1928,1929, 465, 466, 467,
 &end
#
#   57 ILE  HG1-         47 ILE  HA          2.80    (#     28:25  Unique         2.79, 3.13 A)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 855, 856,
 &end
#
#   47 ILE  HG1+         47 ILE  HA          2.80    (#     29:25  Unique         2.29, 3.00 A)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 708, 709,
 &end
#
#  131 SER  HA          131 SER  HB-         2.80    (#     31:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 31, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1995,1996,
 &end
#
#   88 PRO  HB+          88 PRO  HA          2.80    (#     33:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1286,1287,
 &end
#
#   88 PRO  HB-          88 PRO  HA          2.80    (#     35:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1286,1287,
 &end
#
#    0 AMB  25-2:36       0 AMB  25-1:36     2.80    (#     36:25  Double Ambig)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1338,1339,1340,1342,1343,1344,1648,1649,1650,1652,
      1653,1654,
 igr2=1289,1601,1602,
 &end
#
#   65 ILE  HB           65 ILE  HA          2.80    (#     40:25  Unique         2.39, 2.45 A)
 &rst
  ixpk= 40, nxpk= 25, iat= 954, 952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HG1+         65 ILE  HA          2.80    (#     41:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   21 PHE  HD           21 PHE  HA          2.80    (#     43:25  Unique         2.02, 3.38 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 336, 344,
 &end
#
#   85 ASN  HN           84 VAL  HA          2.80    (#     44:25  Unique         2.06, 2.16 A)
 &rst
  ixpk= 44, nxpk= 25, iat=1232,1218, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:45      84 VAL  HA          2.80    (#     45:25  Single Ambig)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,
 &end
#
#   33 THR  HN           32 VAL  HA          2.80    (#     46:25  Unique         2.20, 2.27 A)
 &rst
  ixpk= 46, nxpk= 25, iat= 504, 490, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  MGX          32 VAL  HA          2.80    (#     47:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:48     130 ILE  HA          3.50    (#     48:25  Single Ambig)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1972,1991,
 &end
#
#  130 ILE  HB          130 ILE  HA          2.80    (#     49:25  Unique         2.49, 2.69 A)
 &rst
  ixpk= 49, nxpk= 25, iat=1976,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 ILE  QG2         130 ILE  HA          2.80    (#     50:25  Unique         2.17, 2.76 A)
 &rst
  ixpk= 50, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1978,1979,1980,
 &end
#
#   57 ILE  QG2          57 ILE  HA          2.80    (#     52:25  Unique         2.26, 3.05 A)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 851, 852, 853,
 &end
#
#   94 GLU  HN           94 GLU  HA          2.80    (#     53:25  Unique         2.87, 2.89 A)
 &rst
  ixpk= 53, nxpk= 25, iat=1379,1381, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 GLU  HB+          94 GLU  HA          2.80    (#     54:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#   77 ILE  HN           76 VAL  HA          2.80    (#     55:25  Unique         2.06, 2.09 A)
 &rst
  ixpk= 55, nxpk= 25, iat=1131,1117, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:56      94 GLU  HA          2.80    (#     56:25  Single Ambig)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1383,1384,1386,1387,
 &end
#
#   92 THR  MG2          92 THR  HA          3.50    (#     57:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#  131 SER  HN          131 SER  HA          2.80    (#     58:25  Unique         2.76, 2.84 A)
 &rst
  ixpk= 58, nxpk= 25, iat=1991,1993, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 SER  HB+         131 SER  HA          2.80    (#     59:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1995,1996,
 &end
#
#  131 SER  HB-         131 SER  HA          2.80    (#     60:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1995,1996,
 &end
#
#   55 ILE  QG2          55 ILE  HA          2.80    (#     61:25  Unique         2.65, 3.36 A)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#  116 ARG  HB-         116 ARG  HA          2.80    (#     62:25  Unique         2.18, 2.52 A)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#  124 GLU  HN          124 GLU  HA          2.80    (#     63:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 63, nxpk= 25, iat=1873,1875, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:64     124 GLU  HA          2.80    (#     64:25  Single Ambig)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,1880,1881,
 &end
#
#    0 AMB  25-2:65     124 GLU  HA          2.80    (#     65:25  Single Ambig)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1925,1877,1878,
 &end
#
#    0 AMB  25-2:66     124 GLU  HA          2.80    (#     66:25  Single Ambig)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 &end
#
#    5 MET  HN            4 VAL  HA          2.80    (#     67:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 67, nxpk= 25, iat=  81,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 VAL  HB            4 VAL  HA          2.80    (#     68:25  Unique         2.34, 2.53 A)
 &rst
  ixpk= 68, nxpk= 25, iat=1103,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:69       4 VAL  HA          2.80    (#     69:25  Single Ambig)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    4 VAL  MGX           4 VAL  HA          2.80    (#     70:25  Unique         2.25, 3.15 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   96 PHE  HN           95 ILE  HA          2.80    (#     71:25  Unique         2.18, 2.20 A)
 &rst
  ixpk= 71, nxpk= 25, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  QG2          95 ILE  HA          2.80    (#     72:25  Unique         2.63, 3.25 A)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1400,1401,1402,
 &end
#
#   95 ILE  HG1+         95 ILE  HA          2.80    (#     73:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   91 VAL  HB           91 VAL  HA          2.80    (#     74:25  Unique         2.36, 2.55 A)
 &rst
  ixpk= 74, nxpk= 25, iat=1336,1334, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGY          91 VAL  HA          2.80    (#     75:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   56 ASP  HN           55 ILE  HA          2.80    (#     76:25  Unique         2.09, 2.19 A)
 &rst
  ixpk= 76, nxpk= 25, iat= 833, 816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:77      75 VAL  HA          2.80    (#     77:25  Single Ambig)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1366,1367,1398,
 &end
#
#   76 VAL  HN           75 VAL  HA          2.80    (#     78:25  Unique         2.12, 2.17 A)
 &rst
  ixpk= 78, nxpk= 25, iat=1115,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 VAL  MGX          75 VAL  HA          2.80    (#     79:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  MGY          75 VAL  HA          2.80    (#     80:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   62 SER  HN           61 THR  HA          2.80    (#     81:25  Unique         2.08, 2.39 A)
 &rst
  ixpk= 81, nxpk= 25, iat= 913, 901, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 THR  MG2          61 THR  HA          3.50    (#     82:25  Unique         2.09, 2.94 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 905, 906, 907,
 &end
#
#  110 GLU  HG+         110 GLU  HA          2.80    (#     83:25  Unique         2.34, 2.85 A)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1634,1635,
 &end
#
#    0 AMB  25-2:84     110 GLU  HA          2.80    (#     84:25  Single Ambig)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1631,1632,1631,1632,
 &end
#
#   55 ILE  HN           51 GLU  HA          2.80    (#     86:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 86, nxpk= 25, iat= 814, 763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:87      51 GLU  HA          2.80    (#     87:25  Single Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 765, 766, 768, 769,
 &end
#
#    0 AMB  25-2:88      51 GLU  HA          2.80    (#     88:25  Single Ambig)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 765, 766, 768, 769,
 &end
#
#   90 TRP  HB+          90 TRP  HA          2.80    (#     89:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1312,1313,
 &end
#
#   70 ALA  MB           90 TRP  HA          2.80    (#     90:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 90, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   22 ALA  MB           19 GLU  HA          2.80    (#     91:25  Unique         2.20, 3.38 A)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 352, 353, 354,
 &end
#
#   32 VAL  MGX          19 GLU  HA          2.80    (#     92:25  Unique         2.04, 4.11 A)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   19 GLU  HB+          19 GLU  HA          2.80    (#     93:25  Unique         2.30, 2.77 A)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#   52 GLU  HG-          52 GLU  HA          3.50    (#     94:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 94, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#    3 LYS  HB+          73 TYR  HA          2.80    (#     95:25  Unique         1.99, 2.83 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#   74 ASP  HN           73 TYR  HA          2.80    (#     96:25  Unique         2.35, 2.47 A)
 &rst
  ixpk= 96, nxpk= 25, iat=1087,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 GLU  HN           89 GLU  HA          2.80    (#     97:25  Unique         2.81, 2.84 A)
 &rst
  ixpk= 97, nxpk= 25, iat=1293,1295, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 GLU  HB+          89 GLU  HA          2.80    (#     98:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 98, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB-          89 GLU  HA          2.80    (#     99:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 99, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1297,1298,
 &end
#
#   31 ALA  HN           30 ILE  HA          2.80    (#    100:25  Unique         2.16, 2.28 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 478, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:101     30 ILE  HA          2.80    (#    101:25  Single Ambig)
 &rst
  ixpk= 101, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=   8,   9, 463,
 &end
#
#   30 ILE  QG2          30 ILE  HA          2.80    (#    102:25  Unique         2.15, 3.01 A)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 465, 466, 467,
 &end
#
#   52 GLU  HN           52 GLU  HA          2.80    (#    103:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 103, nxpk= 25, iat= 776, 778, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HB+          52 GLU  HA          2.80    (#    104:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 780, 781,
 &end
#
#  124 GLU  HB-         121 GLU  HA          2.80    (#    105:25  Unique         2.58, 3.37 A)
 &rst
  ixpk= 105, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1877,1878,
 &end
#
#  121 GLU  HN          121 GLU  HA          2.80    (#    106:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 106, nxpk= 25, iat=1818,1820, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HB+         121 GLU  HA          2.80    (#    107:25  Unique         2.58, 3.37 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1877,1878,
 &end
#
#   66 GLU  HN           66 GLU  HA          2.80    (#    108:25  Unique         2.79, 2.82 A)
 &rst
  ixpk= 108, nxpk= 25, iat= 969, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HG+          66 GLU  HA          3.50    (#    109:25  Unique         2.36, 2.79 A)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 976, 977,
 &end
#
#   66 GLU  HB+          66 GLU  HA          2.80    (#    110:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 973, 974,
 &end
#
#   23 LYS  HN           23 LYS  HA          2.80    (#    111:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 111, nxpk= 25, iat= 358, 360, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 LYS  HB+          23 LYS  HA          2.80    (#    112:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#  118 GLN  HN          118 GLN  HA          2.80    (#    113:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1763,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 ARG  HG-         122 ARG  HA          2.80    (#    114:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1840,1841,
 &end
#
#   23 LYS  HB-          23 LYS  HA          2.80    (#    115:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#  109 LEU  HB-         109 LEU  HA          2.80    (#    116:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1612,1613,
 &end
#
#  118 GLN  HG+         118 GLN  HA          2.80    (#    117:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1770,1771,
 &end
#
#  118 GLN  HG-         118 GLN  HA          2.80    (#    118:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1770,1771,
 &end
#
#    0 AMB  25-2:119    118 GLN  HA          2.80    (#    119:25  Single Ambig)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1822,1823,1767,1768,
 &end
#
#  129 LYS  HG+         129 LYS  HA          3.50    (#    120:25  Unique         2.60, 2.82 A)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1957,1958,
 &end
#
#    0 AMB  25-2:121    126 LEU  HA          2.80    (#    121:25  Single Ambig)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1906,1907,1954,1955,
 &end
#
#    0 AMB  25-2:122    126 LEU  HA          2.80    (#    122:25  Single Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1957,1958,1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:123    126 LEU  HA          2.80    (#    123:25  Single Ambig)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
 igr1=1909,1911,1912,1913,1915,1916,1917,
 &end
#
#  109 LEU  MDY         109 LEU  HA          2.80    (#    124:25  Unique         2.25, 3.75 A)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  129 LYS  HN          129 LYS  HA          2.80    (#    126:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 126, nxpk= 25, iat=1950,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  129 LYS  HB+         129 LYS  HA          2.80    (#    127:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1954,1955,
 &end
#
#    0 AMB  25-2:128      0 AMB  25-1:128    2.80    (#    128:25  Double Ambig)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 551, 552, 266, 267,
 igr2= 549, 264,
 &end
#
#    0 AMB  25-2:129      0 AMB  25-1:129    2.80    (#    129:25  Double Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 551, 552, 266, 267, 554,
 igr2= 549, 264,
 &end
#
#   37 LEU  MDY          37 LEU  HA          3.50    (#    130:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  MDX          37 LEU  HA          3.50    (#    131:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 131, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#  109 LEU  HN          108 SER  HA          2.80    (#    132:25  Unique         2.33, 2.44 A)
 &rst
  ixpk= 132, nxpk= 25, iat=1608,1599, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HN           68 PHE  HA          2.80    (#    133:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 133, nxpk= 25, iat=1018,1000, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 LYS  HB+          29 LYS  HA          2.80    (#    134:25  Unique         2.48, 2.76 A)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 441, 442,
 &end
#
#    0 AMB  25-2:135     29 LYS  HA          2.80    (#    135:25  Single Ambig)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 447, 448, 441, 442,
 &end
#
#   29 LYS  HG+          29 LYS  HA          2.80    (#    136:25  Unique         2.92, 3.36 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 444, 445,
 &end
#
#   25 LEU  MDY          25 LEU  HA          2.80    (#    137:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1, 396, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   97 GLU  HN           96 PHE  HA          2.80    (#    138:25  Unique         2.06, 2.11 A)
 &rst
  ixpk= 138, nxpk= 25, iat=1433,1415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HN            6 PHE  HA          2.80    (#    139:25  Unique         2.15, 2.23 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 118, 100, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:140      0 AMB  25-1:140    2.80    (#    140:25  Double Ambig)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 401, 664, 665,
 igr2= 396, 645,
 &end
#
#    0 AMB  25-2:141      0 AMB  25-1:141    2.80    (#    141:25  Double Ambig)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  28,  29, 398, 399,  50,  51,
 igr2=  23, 396,
 &end
#
#  106 GLY  HN          105 ASP  HA          3.50    (#    142:25  Unique         1.98, 2.20 A)
 &rst
  ixpk= 142, nxpk= 25, iat=1573,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ASP  HB+         105 ASP  HA          2.80    (#    143:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1565,1566,
 &end
#
#  103 ASP  HN          102 GLU  HA          2.80    (#    144:25  Unique         2.06, 2.18 A)
 &rst
  ixpk= 144, nxpk= 25, iat=1535,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HG+         102 GLU  HA          2.80    (#    145:25  Unique         2.23, 2.65 A)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1527,1528,
 &end
#
#   35 CYS  HB-          35 CYS  HA          2.80    (#    146:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 533, 534,
 &end
#
#   49 MET  ME           49 MET  HA          2.80    (#    147:25  Unique         2.00, 3.14 A)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 738, 739, 740,
 &end
#
#   44 PRO  HD+          43 HIS  HA          2.80    (#    148:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 661, 662,
 &end
#
#    3 LYS  HN            2 LYS  HA          2.80    (#    149:25  Unique         2.17, 2.23 A)
 &rst
  ixpk= 149, nxpk= 25, iat=  43,  23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 PRO  HD-          43 HIS  HA          2.80    (#    150:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 661, 662,
 &end
#
#   74 ASP  HB+          74 ASP  HA          2.80    (#    151:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1091,1092,
 &end
#
#    0 AMB  25-2:152     74 ASP  HA          2.80    (#    152:25  Single Ambig)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1091,1092,1366,1367,
 &end
#
#  125 ASN  HN          125 ASN  HA          2.80    (#    153:25  Unique         2.84, 2.84 A)
 &rst
  ixpk= 153, nxpk= 25, iat=1888,1890, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HB-         125 ASN  HA          2.80    (#    154:25  Unique         2.65, 2.85 A)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,1890, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#   61 THR  HN           60 GLN  HA          3.50    (#    155:25  Unique         2.21, 2.82 A)
 &rst
  ixpk= 155, nxpk= 25, iat= 899, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HB+          60 GLN  HA          2.80    (#    156:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 886, 887,
 &end
#
#    0 AMB  25-2:157      0 AMB  25-1:157    2.80    (#    157:25  Double Ambig)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 731, 732, 692, 693, 694, 352, 353, 354,
 igr2= 690, 350,
 &end
#
#    4 VAL  HN            3 LYS  HA          2.80    (#    158:25  Unique         2.09, 2.12 A)
 &rst
  ixpk= 158, nxpk= 25, iat=  65,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HB+           3 LYS  HA          2.80    (#    159:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#   31 ALA  MB            3 LYS  HA          2.80    (#    160:25  Unique         2.18, 3.30 A)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 482, 483, 484,
 &end
#
#   78 SER  HN           77 ILE  HA          2.80    (#    161:25  Unique         2.16, 2.26 A)
 &rst
  ixpk= 161, nxpk= 25, iat=1150,1133, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ILE  HG1+         77 ILE  HA          4.50    (#    162:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#   77 ILE  QG2          77 ILE  HA          2.80    (#    163:25  Unique         2.53, 3.15 A)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#    2 LYS  HN            1 MET  HA          2.80    (#    164:25  Unique         2.52, 2.67 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  21,   6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    1 MET  HB+           1 MET  HA          2.80    (#    165:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 165, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   8,   9,
 &end
#
#    1 MET  HB-           1 MET  HA          2.80    (#    166:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   8,   9,
 &end
#
#  123 VAL  MGX          22 ALA  HA          2.80    (#    167:25  Unique         2.29, 3.86 A)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  QD1          22 ALA  HA          2.80    (#    168:25  Unique         2.15, 3.00 A)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1934,1935,1936,
 &end
#
#  123 VAL  MGY          18 ALA  HA          2.80    (#    169:25  Unique         2.12, 4.05 A)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  119 VAL  MGX          18 ALA  HA          2.80    (#    170:25  Unique         2.17, 3.99 A)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   18 ALA  MB           18 ALA  HA          2.80    (#    171:25  Unique         2.45, 2.72 A)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 300, 301, 302,
 &end
#
#   48 ALA  MB           48 ALA  HA          2.80    (#    172:25  Unique         2.42, 2.65 A)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1, 719, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#    0 AMB  25-2:173      0 AMB  25-1:173    2.80    (#    173:25  Double Ambig)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 765, 766,1058,1059,
 igr2= 719,1056,
 &end
#
#   72 ASP  HN            0 AMB  25-1:174    2.80    (#    174:25  Single Ambig)
 &rst
  ixpk= 174, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1056,1044,
 &end
#
#   72 ASP  HB+          72 ASP  HA          2.80    (#    175:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 175, nxpk= 25, iat=  -1,1056, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#   71 ASP  HN           71 ASP  HA          2.80    (#    176:25  Unique         2.80, 2.81 A)
 &rst
  ixpk= 176, nxpk= 25, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2-         71 ASP  HA          2.80    (#    177:25  Unique         2.19, 2.56 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1374,1375,
 &end
#
#   71 ASP  HB+          71 ASP  HA          2.80    (#    178:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   71 ASP  HB-          71 ASP  HA          2.80    (#    179:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   98 ASP  HN           97 GLU  HA          2.80    (#    180:25  Unique         2.32, 2.39 A)
 &rst
  ixpk= 180, nxpk= 25, iat=1448,1435, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:181     97 GLU  HA          3.50    (#    181:25  Single Ambig)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1440,1441,1437,1438,
 &end
#
#  128 ALA  HN          128 ALA  HA          2.80    (#    182:25  Unique         2.81, 2.81 A)
 &rst
  ixpk= 182, nxpk= 25, iat=1940,1942, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  MB          128 ALA  HA          2.80    (#    183:25  Unique         2.44, 2.68 A)
 &rst
  ixpk= 183, nxpk= 25, iat=  -1,1942, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1944,1945,1946,
 &end
#
#   70 ALA  MB           70 ALA  HA          2.80    (#    184:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   39 SER  HN           38 GLU  HA          3.50    (#    185:25  Unique         2.06, 2.92 A)
 &rst
  ixpk= 185, nxpk= 25, iat= 581, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HB-          38 GLU  HA          2.80    (#    187:25  Unique         2.24, 2.62 A)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 570, 571,
 &end
#
#   27 ALA  HN           27 ALA  HA          2.80    (#    188:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 188, nxpk= 25, iat= 420, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  MB           27 ALA  HA          2.80    (#    189:25  Unique         2.45, 2.68 A)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 424, 425, 426,
 &end
#
#   94 GLU  HN           93 GLN  HA          2.80    (#    190:25  Unique         2.20, 2.35 A)
 &rst
  ixpk= 190, nxpk= 25, iat=1379,1364, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HB+          93 GLN  HA          2.80    (#    191:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 191, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   67 ASN  HB+          67 ASN  HA          2.80    (#    193:25  Unique         2.18, 2.50 A)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1, 986, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 988, 989,
 &end
#
#   87 PRO  HD+          86 LEU  HA          2.80    (#    194:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1266,1267,
 &end
#
#   87 PRO  HD-          86 LEU  HA          2.80    (#    195:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1266,1267,
 &end
#
#   86 LEU  MDX          86 LEU  HA          3.50    (#    196:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#  102 GLU  HN          101 LEU  HA          2.80    (#    197:25  Unique         2.09, 2.49 A)
 &rst
  ixpk= 197, nxpk= 25, iat=1520,1503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 LEU  HB+         101 LEU  HA          2.80    (#    198:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#  101 LEU  MDX         101 LEU  HA          3.50    (#    199:25  Unique         2.17, 3.29 A)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1510,1511,1512,1514,1515,1516,
 &end
#
#    6 PHE  HN            5 MET  HA          2.80    (#    200:25  Unique         2.11, 2.19 A)
 &rst
  ixpk= 200, nxpk= 25, iat=  98,  83, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   86 LEU  HN           85 ASN  HA          3.50    (#    201:25  Unique         2.19, 2.28 A)
 &rst
  ixpk= 201, nxpk= 25, iat=1246,1234, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  HN           69 ASN  HA          2.80    (#    203:25  Unique         2.27, 2.31 A)
 &rst
  ixpk= 203, nxpk= 25, iat=1032,1020, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HB+          69 ASN  HA          2.80    (#    204:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1022,1023,
 &end
#
#   69 ASN  HB-          69 ASN  HA          2.80    (#    205:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1022,1023,
 &end
#
#   43 HIS  HA           44 PRO  HD+         2.80    (#    206:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 661, 662,
 &end
#
#   31 ALA  MB           31 ALA  HA          2.80    (#    209:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 482, 483, 484,
 &end
#
#    0 AMB  25-2:210      0 AMB  25-1:210    2.80    (#    210:25  Double Ambig)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1272,1273,1283,1284,
 igr2=1280,1281,1280,1281,
 &end
#
#  104 PRO  HD+         103 ASP  HA          2.80    (#    211:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#  104 PRO  HD-         103 ASP  HA          2.80    (#    212:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#   57 ILE  QG2          20 GLY  HA+         2.80    (#    219:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 851, 852, 853,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:220      0 AMB  25-1:220    2.80    (#    220:25  Double Ambig)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1756,1763,
 igr2=1758,1759,1758,1759,
 &end
#
#    0 AMB  25-2:222    117 GLY  HA-         2.80    (#    222:25  Single Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1756,1763,
 igr2=1758,1759,
 &end
#
#   54 GLY  HN           54 GLY  HA+         2.80    (#    224:25  Unique         2.25, 2.56 A)
 &rst
  ixpk= 224, nxpk= 25, iat= 807,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 809, 810,
 &end
#
#   54 GLY  HN           54 GLY  HA-         2.80    (#    226:25  Unique         2.25, 2.56 A)
 &rst
  ixpk= 226, nxpk= 25, iat= 807,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 809, 810,
 &end
#
#   26 GLY  HN           26 GLY  HA+         2.80    (#    233:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 233, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:235      0 AMB  25-1:235    2.80    (#    235:25  Double Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 415, 416, 415, 416,
 &end
#
#   26 GLY  HN           26 GLY  HA-         2.80    (#    236:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 236, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:238     26 GLY  HA-         2.80    (#    238:25  Single Ambig)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 415, 416,
 &end
#
#   74 ASP  HA           74 ASP  HB+         2.80    (#    239:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 239, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1091,1092,
 &end
#
#   10 ARG  HG-          10 ARG  HD+         2.80    (#    248:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 174, 175,
 igr2= 177, 178,
 &end
#
#   41 ARG  HB-          41 ARG  HD+         2.80    (#    250:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 607, 608,
 igr2= 613, 614,
 &end
#
#   41 ARG  HB+          41 ARG  HD+         2.80    (#    251:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 607, 608,
 igr2= 613, 614,
 &end
#
#   41 ARG  HG+          41 ARG  HD+         2.80    (#    252:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 610, 611,
 igr2= 613, 614,
 &end
#
#   31 ALA  HN           30 ILE  HB          2.80    (#    257:25  Unique         2.14, 2.43 A)
 &rst
  ixpk= 257, nxpk= 25, iat= 478, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ILE  HA           30 ILE  HB          2.80    (#    258:25  Unique         2.44, 2.49 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:260      0 AMB  25-1:260    3.50    (#    260:25  Double Ambig)
 &rst
  ixpk= 260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 441, 442, 447, 448,
 igr2=  34,  35,  34,  35,
 &end
#
#    2 LYS  HG-           2 LYS  HE+         2.80    (#    261:25  Unique         2.44, 3.51 A)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  28,  29,
 igr2=  34,  35,
 &end
#
#    0 AMB  25-2:264      0 AMB  25-1:264    2.80    (#    264:25  Double Ambig)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1911,1912,1913,1915,1916,1917,1909,
 igr2=1906,1907,1906,1907,
 &end
#
#    0 AMB  25-2:267      0 AMB  25-1:267    2.80    (#    267:25  Double Ambig)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1911,1912,1913,1915,1916,1917,1840,1841,1909,
 igr2=1906,1907,1843,1844,
 &end
#
#   30 ILE  HG1+         30 ILE  HB          2.80    (#    269:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 469, 470,
 &end
#
#    2 LYS  HB+           2 LYS  HE+         3.50    (#    270:25  Unique         2.39, 3.56 A)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  25,  26,
 igr2=  34,  35,
 &end
#
#    0 AMB  25-2:271      0 AMB  25-1:271    2.80    (#    271:25  Double Ambig)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  31,  32,1957,1958,1404,1405,
 igr2=  34,  35,1963,1964,1963,1964,
 &end
#
#    0 AMB  25-2:272      0 AMB  25-1:272    2.80    (#    272:25  Double Ambig)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 465, 466, 467,1407,1408,1409,1400,1401,1402,
 igr2=  34,  35,1963,1964,1963,1964,
 &end
#
#    0 AMB  25-2:273      0 AMB  25-1:273    2.80    (#    273:25  Double Ambig)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1960,1961, 447, 448,
 igr2=1963,1964, 450, 451,
 &end
#
#  129 LYS  HD+         129 LYS  HE-         2.80    (#    275:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1960,1961,
 igr2=1963,1964,
 &end
#
#    0 AMB  25-2:276      0 AMB  25-1:276    2.80    (#    276:25  Double Ambig)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1800,1801,1806,1807,
 igr2=1809,1810,1809,1810,
 &end
#
#    0 AMB  25-2:277    120 LYS  HE-         2.80    (#    277:25  Single Ambig)
 &rst
  ixpk= 277, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1806,1807,1806,1807,
 igr2=1809,1810,
 &end
#
#    0 AMB  25-2:278      0 AMB  25-1:278    2.80    (#    278:25  Double Ambig)
 &rst
  ixpk= 278, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 igr2= 398, 399, 398, 399,
 &end
#
#    3 LYS  HD+           3 LYS  HE+         2.80    (#    279:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  53,  54,
 igr2=  56,  57,
 &end
#
#   75 VAL  HA           95 ILE  HB          2.80    (#    283:25  Unique         2.81, 2.89 A)
 &rst
  ixpk= 283, nxpk= 25, iat=1101,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:284     95 ILE  HB          2.80    (#    284:25  Single Ambig)
 &rst
  ixpk= 284, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1105,1106,1107,1109,1110,1111,1400,1401,1402,1407,
      1408,1409,
 &end
#
#  109 LEU  MDX         109 LEU  HB+         2.80    (#    287:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#  109 LEU  MDX         109 LEU  HB-         2.80    (#    289:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#   55 ILE  QG2          55 ILE  HB          2.80    (#    292:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#    0 AMB  25-2:294      0 AMB  25-1:294    2.80    (#    294:25  Double Ambig)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1054,1066,
 igr2=1058,1059,1058,1059,
 &end
#
#   71 ASP  HN           71 ASP  HB+         3.50    (#    295:25  Unique         2.05, 2.50 A)
 &rst
  ixpk= 295, nxpk= 25, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1046,1047,
 &end
#
#   71 ASP  HA           71 ASP  HB+         2.80    (#    296:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 296, nxpk= 25, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   71 ASP  HN           71 ASP  HB-         2.80    (#    298:25  Unique         2.05, 2.50 A)
 &rst
  ixpk= 298, nxpk= 25, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   71 ASP  HA           71 ASP  HB-         2.80    (#    299:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 299, nxpk= 25, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   72 ASP  HA           72 ASP  HB-         2.80    (#    301:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 301, nxpk= 25, iat=1056,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1058,1059,
 &end
#
#   69 ASN  HA           69 ASN  HB-         2.80    (#    312:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 312, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:313      0 AMB  25-1:313    2.80    (#    313:25  Double Ambig)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 igr2= 332, 333, 332, 333,
 &end
#
#    0 AMB  25-2:316     65 ILE  HB          2.80    (#    316:25  Single Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 960, 961, 956, 957, 958,
 &end
#
#   65 ILE  QD1          65 ILE  HB          2.80    (#    317:25  Unique         2.46, 3.23 A)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 963, 964, 965,
 &end
#
#  125 ASN  HN          125 ASN  HB+         2.80    (#    318:25  Unique         2.24, 2.91 A)
 &rst
  ixpk= 318, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  125 ASN  HA          125 ASN  HB+         2.80    (#    319:25  Unique         2.65, 2.85 A)
 &rst
  ixpk= 319, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  130 ILE  HA          130 ILE  HB          2.80    (#    320:25  Unique         2.49, 2.69 A)
 &rst
  ixpk= 320, nxpk= 25, iat=1974,1976, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 ILE  HG1+        130 ILE  HB          2.80    (#    321:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  130 ILE  HG1-        130 ILE  HB          2.80    (#    322:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#    0 AMB  25-2:323    130 ILE  HB          2.80    (#    323:25  Single Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 465, 466, 467,1978,1979,1980,
 &end
#
#  130 ILE  QD1         130 ILE  HB          2.80    (#    324:25  Unique         2.37, 3.14 A)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1985,1986,1987,
 &end
#
#  125 ASN  HN          125 ASN  HB-         2.80    (#    325:25  Unique         2.24, 2.91 A)
 &rst
  ixpk= 325, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  125 ASN  HA          125 ASN  HB-         2.80    (#    326:25  Unique         2.65, 2.85 A)
 &rst
  ixpk= 326, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#   57 ILE  QG2          57 ILE  HB          2.80    (#    327:25  Unique         2.20, 2.65 A)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 851, 852, 853,
 &end
#
#  124 GLU  HN          124 GLU  HG+         4.50    (#    328:25  Unique         4.27, 4.35 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  124 GLU  HB-         124 GLU  HG-         2.80    (#    330:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,
 igr2=1880,1881,
 &end
#
#  124 GLU  HB-         124 GLU  HG+         2.80    (#    332:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,
 igr2=1880,1881,
 &end
#
#  127 ILE  HN          127 ILE  HB          2.80    (#    333:25  Unique         2.05, 2.08 A)
 &rst
  ixpk= 333, nxpk= 25, iat=1921,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  QG2         127 ILE  HB          2.80    (#    334:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1927,1928,1929,
 &end
#
#  108 SER  HB-         110 GLU  HG+         3.50    (#    337:25  Unique         2.78, 4.54 A)
 &rst
  ixpk= 337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1601,1602,
 igr2=1634,1635,
 &end
#
#    0 AMB  25-2:338      0 AMB  25-1:338    2.80    (#    338:25  Double Ambig)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 763,1381,
 igr2= 768, 769,1386,1387,
 &end
#
#    0 AMB  25-2:339      0 AMB  25-1:339    2.80    (#    339:25  Double Ambig)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 763,1381,
 igr2= 768, 769,1386,1387,
 &end
#
#   38 GLU  HB-          38 GLU  HG+         2.80    (#    340:25  Unique         2.29, 2.72 A)
 &rst
  ixpk= 340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 570, 571,
 igr2= 573, 574,
 &end
#
#   70 ALA  MB           89 GLU  HG+         3.50    (#    341:25  Unique         3.76, 5.28 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1300,1301,
 &end
#
#  102 GLU  HA          102 GLU  HG+         2.80    (#    342:25  Unique         2.23, 2.65 A)
 &rst
  ixpk= 342, nxpk= 25, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1527,1528,
 &end
#
#  101 LEU  HB-         102 GLU  HG+         4.50    (#    343:25  Unique         4.43, 5.98 A)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1505,1506,
 igr2=1527,1528,
 &end
#
#   76 VAL  MGX          76 VAL  HB          2.80    (#    350:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 350, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  MGY          76 VAL  HB          2.80    (#    351:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 351, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:352      0 AMB  25-1:352    2.80    (#    352:25  Double Ambig)
 &rst
  ixpk= 352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 439,1101,
 igr2= 441, 442,1103,
 &end
#
#   29 LYS  HG+          29 LYS  HB+         2.80    (#    354:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
#   75 VAL  MGX          75 VAL  HB          2.80    (#    355:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 355, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   29 LYS  HG+          29 LYS  HB-         2.80    (#    357:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
#    7 VAL  MGX           7 VAL  HB          2.80    (#    358:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGY           7 VAL  HB          2.80    (#    359:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   32 VAL  HN           32 VAL  HB          2.80    (#    361:25  Unique         2.47, 2.73 A)
 &rst
  ixpk= 361, nxpk= 25, iat= 488, 492, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  MGX          32 VAL  HB          2.80    (#    362:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGY          32 VAL  HB          2.80    (#    363:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 363, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:364     75 VAL  HB          2.80    (#    364:25  Single Ambig)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    4 VAL  HA           75 VAL  HB          2.80    (#    365:25  Unique         2.34, 2.53 A)
 &rst
  ixpk= 365, nxpk= 25, iat=  67,1103, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 VAL  HN            4 VAL  HB          2.80    (#    369:25  Unique         2.61, 2.69 A)
 &rst
  ixpk= 369, nxpk= 25, iat=  65,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 VAL  MGY           4 VAL  HB          2.80    (#    370:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGX           4 VAL  HB          2.80    (#    371:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 371, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   97 GLU  HG+          97 GLU  HB-         2.80    (#    376:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1440,1441,
 igr2=1437,1438,
 &end
#
#  118 GLN  HB-         118 GLN  HG-         2.80    (#    379:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1767,1768,
 igr2=1770,1771,
 &end
#
#   38 GLU  HA           38 GLU  HB+         2.80    (#    382:25  Unique         2.24, 2.62 A)
 &rst
  ixpk= 382, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 570, 571,
 &end
#
#    1 MET  HG-           1 MET  HB+         2.80    (#    385:25  Unique         2.29, 2.57 A)
 &rst
  ixpk= 385, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HB-         2.80    (#    387:25  Unique         2.29, 2.57 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    0 AMB  25-2:391      0 AMB  25-1:391    2.80    (#    391:25  Double Ambig)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1960,1961,1366,1367,
 igr2=1954,1955,1369,1370,
 &end
#
#  129 LYS  HN          129 LYS  HB+         2.80    (#    392:25  Unique         2.46, 3.06 A)
 &rst
  ixpk= 392, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1954,1955,
 &end
#
#  129 LYS  HA          129 LYS  HB+         2.80    (#    393:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 393, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1954,1955,
 &end
#
#  129 LYS  HG+         129 LYS  HB+         2.80    (#    395:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1957,1958,
 igr2=1954,1955,
 &end
#
#    0 AMB  25-2:396     84 VAL  HB          2.80    (#    396:25  Single Ambig)
 &rst
  ixpk= 396, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,1255,1256,1257,1259,1260,1261,
 &end
#
#   44 PRO  HA           44 PRO  HB+         2.80    (#    400:25  Unique         2.22, 2.54 A)
 &rst
  ixpk= 400, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#   88 PRO  HA           88 PRO  HB+         2.80    (#    402:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 402, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1286,1287,
 &end
#
#   88 PRO  HG+          88 PRO  HB+         2.80    (#    403:25  Unique         2.38, 2.63 A)
 &rst
  ixpk= 403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1283,1284,
 igr2=1286,1287,
 &end
#
#    0 AMB  25-2:406      0 AMB  25-1:406    2.80    (#    406:25  Double Ambig)
 &rst
  ixpk= 406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 670, 360,
 igr2= 667, 668, 362, 363,
 &end
#
#   88 PRO  HA           88 PRO  HB-         2.80    (#    408:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 408, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1286,1287,
 &end
#
#    0 AMB  25-2:410      0 AMB  25-1:410    2.80    (#    410:25  Double Ambig)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1280,1281, 229,
 igr2=1286,1287,1720,
 &end
#
#  115 VAL  HN          115 VAL  HB          2.80    (#    411:25  Unique         2.20, 2.42 A)
 &rst
  ixpk= 411, nxpk= 25, iat=1716,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:412    115 VAL  HB          2.80    (#    412:25  Single Ambig)
 &rst
  ixpk= 412, nxpk= 25, iat=  -1,1720, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  119 VAL  HN          119 VAL  HB          2.80    (#    417:25  Unique         2.20, 2.32 A)
 &rst
  ixpk= 417, nxpk= 25, iat=1780,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 VAL  MGY         119 VAL  HB          2.80    (#    418:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   87 PRO  HG-          87 PRO  HB+         2.80    (#    422:25  Unique         2.28, 2.61 A)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1269,1270,
 igr2=1272,1273,
 &end
#
#    0 AMB  25-2:423    123 VAL  HB          2.80    (#    423:25  Single Ambig)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1857,1873,
 &end
#
#  111 VAL  HN          111 VAL  HB          2.80    (#    424:25  Unique         2.48, 2.57 A)
 &rst
  ixpk= 424, nxpk= 25, iat=1642,1646, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 VAL  MGY         123 VAL  HB          2.80    (#    425:25  Unique         2.31, 2.64 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:426      0 AMB  25-1:426    2.80    (#    426:25  Double Ambig)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1786,1787,1788,1790,1791,1792, 403, 404, 405, 407,
       408, 409,1554,1555,
 igr2=1861,1646,
 &end
#
#  111 VAL  MGX         111 VAL  HB          2.80    (#    427:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,1646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:428     42 VAL  HB          2.80    (#    428:25  Single Ambig)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1, 631, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 711, 712, 713, 633, 634, 635, 637, 638, 639,
 &end
#
#   91 VAL  HA           91 VAL  HB          2.80    (#    429:25  Unique         2.36, 2.55 A)
 &rst
  ixpk= 429, nxpk= 25, iat=1334,1336, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGY          91 VAL  HB          2.80    (#    430:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 430, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  MGX          91 VAL  HB          2.80    (#    431:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#  104 PRO  HG-         104 PRO  HB-         3.50    (#    432:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1554,1555,
 &end
#
#   53 VAL  MGY          53 VAL  HB          2.80    (#    434:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1, 795, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:437      0 AMB  25-1:437    2.80    (#    437:25  Double Ambig)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1934,1935,1936, 472, 473, 474,
 igr2=1931,1932,1931,1932,
 &end
#
#  102 GLU  HG+         102 GLU  HB-         2.80    (#    440:25  Unique         2.33, 2.74 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1527,1528,
 igr2=1524,1525,
 &end
#
#  121 GLU  HN          121 GLU  HB+         2.80    (#    442:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 442, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HA          121 GLU  HB+         2.80    (#    443:25  Unique         2.35, 2.77 A)
 &rst
  ixpk= 443, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HN          121 GLU  HB-         2.80    (#    444:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 444, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HA            0 AMB  25-1:445    2.80    (#    445:25  Single Ambig)
 &rst
  ixpk= 445, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1822,1823,1877,1878,
 &end
#
#    0 AMB  25-2:447      0 AMB  25-1:447    2.80    (#    447:25  Double Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1= 711, 712, 713,1510,1511,1512,1514,1515,1516, 633,
       634, 635, 637, 638, 639,
 igr2= 708, 709,1524,1525,
 &end
#
#  129 LYS  HB+         129 LYS  HD+         2.80    (#    449:25  Unique         2.27, 2.92 A)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1954,1955,
 igr2=1960,1961,
 &end
#
#    0 AMB  25-2:450      0 AMB  25-1:450    2.80    (#    450:25  Double Ambig)
 &rst
  ixpk= 450, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 704, 705, 706,1407,1408,1409,
 igr2= 708, 709,1960,1961,
 &end
#
#  129 LYS  HE+         129 LYS  HD+         2.80    (#    451:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1963,1964,
 igr2=1960,1961,
 &end
#
#    0 AMB  25-2:458      0 AMB  25-1:458    2.80    (#    458:25  Double Ambig)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1680,1875,
 igr2=1682,1683,1877,1878,
 &end
#
#   94 GLU  HN           94 GLU  HB-         2.80    (#    462:25  Unique         2.01, 2.58 A)
 &rst
  ixpk= 462, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1383,1384,
 &end
#
#   94 GLU  HA           94 GLU  HB-         2.80    (#    463:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 463, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1383,1384,
 &end
#
#    0 AMB  25-2:464      0 AMB  25-1:464    2.80    (#    464:25  Double Ambig)
 &rst
  ixpk= 464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=  34,  35, 450, 451,
 igr2=  31,  32, 447, 448,
 &end
#
#    3 LYS  HE+           3 LYS  HD+         2.80    (#    468:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  56,  57,
 igr2=  53,  54,
 &end
#
#    3 LYS  HB+           3 LYS  HD+         2.80    (#    469:25  Unique         2.59, 3.36 A)
 &rst
  ixpk= 469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  47,  48,
 igr2=  53,  54,
 &end
#
#   66 GLU  HN           66 GLU  HB+         2.80    (#    471:25  Unique         2.16, 2.87 A)
 &rst
  ixpk= 471, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#   66 GLU  HA           66 GLU  HB+         2.80    (#    472:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 472, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-2:476      0 AMB  25-1:476    2.80    (#    476:25  Double Ambig)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1407,1408,1409,1400,1401,1402,1105,1106,1107,1109,
      1110,1111,
 igr2=1404,1405,1404,1405,1404,1405,
 &end
#
#   89 GLU  HG+          89 GLU  HB+         2.80    (#    477:25  Unique         2.26, 2.54 A)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#    0 AMB  25-2:479     86 LEU  HG          2.80    (#    479:25  Single Ambig)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:480     95 ILE  HG1-        2.80    (#    480:25  Single Ambig)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1407,1408,1409,1400,1401,1402,1105,1106,1107,1109,
      1110,1111,
 igr2=1404,1405,
 &end
#
#   88 PRO  HD+          88 PRO  HG+         2.80    (#    483:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1283,1284,
 &end
#
#   88 PRO  HD+          88 PRO  HG-         2.80    (#    484:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1283,1284,
 &end
#
#   25 LEU  HN           25 LEU  HG          2.80    (#    485:25  Unique         2.51, 2.56 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 394, 401, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 LEU  HB+          25 LEU  HG          2.80    (#    486:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 398, 399,
 &end
#
#   25 LEU  MDY          25 LEU  HG          2.80    (#    487:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   24 THR  HB           25 LEU  HG          3.50    (#    488:25  Unique         3.32, 3.42 A)
 &rst
  ixpk= 488, nxpk= 25, iat= 384, 401, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 GLU  HG+          89 GLU  HB-         2.80    (#    489:25  Unique         2.26, 2.54 A)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#  119 VAL  MGY         101 LEU  HG          3.50    (#    492:25  Unique         2.31, 4.38 A)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   55 ILE  QD1          55 ILE  HG1-        2.80    (#    494:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 827, 828, 829,
 igr2= 824, 825,
 &end
#
#  109 LEU  MDY         109 LEU  HG          2.80    (#    496:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  MDX         109 LEU  HG          2.80    (#    497:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  HB-         109 LEU  HG          2.80    (#    498:25  Unique         2.38, 2.72 A)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1612,1613,
 &end
#
#  126 LEU  MDY         126 LEU  HG          2.80    (#    500:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#  130 ILE  QD1         126 LEU  HG          2.80    (#    501:25  Unique         2.21, 3.01 A)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1985,1986,1987,
 &end
#
#    0 AMB  25-2:503      0 AMB  25-1:503    2.80    (#    503:25  Double Ambig)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1369,1370, 362, 363,
 igr2=1366,1367, 365, 366,
 &end
#
#   86 LEU  HG           86 LEU  MDY         2.80    (#    505:25  Unique         2.40, 2.67 A)
 &rst
  ixpk= 505, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   76 VAL  MGY          86 LEU  MDY         3.50    (#    506:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:509      0 AMB  25-1:509    2.80    (#    509:25  Double Ambig)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1= 551, 552, 554, 398, 399, 266, 267,
 igr2= 556, 557, 558, 560, 561, 562, 403, 404, 405, 407,
       408, 409,
 &end
#
#    0 AMB  25-2:510     25 LEU  MDX         3.50    (#    510:25  Single Ambig)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1=1863,1864,1865,1867,1868,1869, 386, 387, 388,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   61 THR  MG2          37 LEU  MDY         3.50    (#    512:25  Unique         2.15, 5.27 A)
 &rst
  ixpk= 512, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 905, 906, 907,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:514    109 LEU  MDX         3.50    (#    514:25  Single Ambig)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 721, 722, 723,1685,1686,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:515      0 AMB  25-1:515    2.80    (#    515:25  Double Ambig)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1615,1612,1613, 570, 571,
 igr2=1617,1618,1619,1621,1622,1623, 556, 557, 558, 560,
       561, 562,
 &end
#
#    0 AMB  25-2:517      0 AMB  25-1:517    2.80    (#    517:25  Double Ambig)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1978,1979,1980, 465, 466, 467,
 igr2=1982,1983,1982,1983,
 &end
#
#   29 LYS  HB+          29 LYS  HG+         2.80    (#    518:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 441, 442,
 igr2= 444, 445,
 &end
#
#    0 AMB  25-2:520      0 AMB  25-1:520    2.80    (#    520:25  Double Ambig)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.48, r4= 6.23,
 igr1= 607, 608,  47,  48, 463, 441, 442,
 igr2= 610, 611,  50,  51, 469, 470, 469, 470,
 &end
#
#    0 AMB  25-2:523      0 AMB  25-1:523    2.80    (#    523:25  Double Ambig)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1800,1801,1806,1807,
 igr2=1803,1804,1803,1804,
 &end
#
#  129 LYS  HB+         129 LYS  HG+         2.80    (#    527:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1954,1955,
 igr2=1957,1958,
 &end
#
#    0 AMB  25-2:528    123 VAL  MGY         2.80    (#    528:25  Single Ambig)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1857,1873,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    6 PHE  HZ          123 VAL  MGY         4.50    (#    529:25  Unique         3.03, 4.85 A)
 &rst
  ixpk= 529, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  HA          123 VAL  MGY         2.80    (#    530:25  Unique         2.39, 3.17 A)
 &rst
  ixpk= 530, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   77 ILE  QD1          77 ILE  HG1-        2.80    (#    532:25  Unique         2.34, 2.67 A)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1144,1145,1146,
 igr2=1141,1142,
 &end
#
#  123 VAL  HB          123 VAL  MGY         2.80    (#    535:25  Unique         2.31, 2.64 A)
 &rst
  ixpk= 535, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   86 LEU  HG           86 LEU  MDX         2.80    (#    536:25  Unique         2.40, 2.67 A)
 &rst
  ixpk= 536, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#  119 VAL  HN          119 VAL  MGY         3.50    (#    537:25  Unique         2.28, 3.88 A)
 &rst
  ixpk= 537, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HA          119 VAL  MGY         3.50    (#    538:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 538, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HB          119 VAL  MGY         2.80    (#    539:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 539, nxpk= 25, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:540    119 VAL  MGY         2.80    (#    540:25  Single Ambig)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1508,1722,1723,1724,1726,1727,1728,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  111 VAL  MGX         115 VAL  MGY         2.80    (#    541:25  Unique         2.27, 6.30 A)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HN          115 VAL  MGY         3.50    (#    542:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 542, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  111 VAL  HA          115 VAL  MGY         3.50    (#    543:25  Unique         3.18, 5.91 A)
 &rst
  ixpk= 543, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HB          115 VAL  MGY         2.80    (#    544:25  Unique         2.22, 2.67 A)
 &rst
  ixpk= 544, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  101 LEU  HB-         115 VAL  MGY         4.50    (#    545:25  Unique         2.41, 5.08 A)
 &rst
  ixpk= 545, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1505,1506,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  101 LEU  HB+         101 LEU  MDX         2.80    (#    546:25  Unique         2.34, 3.55 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  101 LEU  HA          101 LEU  MDX         2.80    (#    547:25  Unique         2.17, 3.29 A)
 &rst
  ixpk= 547, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#   19 GLU  HA           32 VAL  MGX         2.80    (#    548:25  Unique         2.04, 4.11 A)
 &rst
  ixpk= 548, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HB           32 VAL  MGX         2.80    (#    549:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 549, nxpk= 25, iat= 492,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  MB           32 VAL  MGX         2.80    (#    550:25  Unique         2.08, 4.02 A)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 352, 353, 354,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   18 ALA  HA          119 VAL  MGX         2.80    (#    552:25  Unique         2.17, 3.99 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:553      0 AMB  25-1:553    2.80    (#    553:25  Double Ambig)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1906,1907,1784,
 igr2=1911,1912,1913,1915,1916,1917,1786,1787,1788,1790,
      1791,1792,
 &end
#
#    0 AMB  25-2:555      0 AMB  25-1:555    3.50    (#    555:25  Double Ambig)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1934,1935,1936, 472, 473, 474,
 igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
       408, 409,
 &end
#
#   77 ILE  QD1         126 LEU  MDX         3.50    (#    556:25  Unique         2.27, 4.91 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1144,1145,1146,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   25 LEU  HA           25 LEU  MDY         2.80    (#    557:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   25 LEU  HG           25 LEU  MDY         2.80    (#    558:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 558, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  120 LYS  HD-          25 LEU  MDY         4.50    (#    560:25  Unique         2.39, 6.26 A)
 &rst
  ixpk= 560, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1806,1807,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   18 ALA  MB          119 VAL  MGX         3.50    (#    561:25  Unique         2.22, 4.31 A)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  109 LEU  HA          109 LEU  MDY         2.80    (#    562:25  Unique         2.25, 3.75 A)
 &rst
  ixpk= 562, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  HB-         109 LEU  MDY         2.80    (#    563:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1612,1613,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   45 THR  MG2         109 LEU  MDY         2.80    (#    564:25  Unique         2.54, 4.47 A)
 &rst
  ixpk= 564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 680, 681, 682,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   33 THR  HB           33 THR  MG2         2.80    (#    565:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 565, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 510, 511, 512,
 &end
#
#    0 AMB  25-2:566      0 AMB  25-1:566    2.80    (#    566:25  Double Ambig)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 518,1597,
 igr2= 510, 511, 512,1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HA          111 VAL  MGY         2.80    (#    567:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 567, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HB          111 VAL  MGY         2.80    (#    568:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 568, nxpk= 25, iat=1646,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HN          111 VAL  MGY         2.80    (#    569:25  Unique         2.14, 3.87 A)
 &rst
  ixpk= 569, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  109 LEU  MDY          45 THR  MG2         2.80    (#    570:25  Unique         2.54, 4.47 A)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 680, 681, 682,
 &end
#
#    0 AMB  25-2:571     32 VAL  MGY         2.80    (#    571:25  Single Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 488, 504,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HB           32 VAL  MGY         2.80    (#    572:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 572, nxpk= 25, iat= 492,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  MB            0 AMB  25-1:573    2.80    (#    573:25  Single Ambig)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 352, 353, 354,
 igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 &end
#
#   26 GLY  HA-          32 VAL  MGY         3.50    (#    574:25  Unique         4.11, 6.64 A)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#  123 VAL  HB          123 VAL  MGX         2.80    (#    575:25  Unique         2.31, 2.64 A)
 &rst
  ixpk= 575, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:576     32 VAL  MGY         2.80    (#    576:25  Single Ambig)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  69, 463,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   37 LEU  HA           37 LEU  MDX         3.50    (#    578:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 578, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:579      0 AMB  25-1:579    2.80    (#    579:25  Double Ambig)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1= 551, 552, 554, 610, 611, 266, 267,
 igr2= 556, 557, 558, 560, 561, 562, 633, 634, 635, 637,
       638, 639,
 &end
#
#   61 THR  HB           61 THR  MG2         2.80    (#    580:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 903,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 905, 906, 907,
 &end
#
#   42 VAL  HB           42 VAL  MGY         2.80    (#    584:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 584, nxpk= 25, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   61 THR  MG2           0 AMB  25-1:586    3.50    (#    586:25  Single Ambig)
 &rst
  ixpk= 586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 905, 906, 907,
 igr2= 556, 557, 558, 560, 561, 562, 633, 634, 635, 637,
       638, 639,
 &end
#
#   49 MET  HA           49 MET  ME          2.80    (#    587:25  Unique         2.00, 3.14 A)
 &rst
  ixpk= 587, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 738, 739, 740,
 &end
#
#   49 MET  HG+          49 MET  ME          2.80    (#    588:25  Unique         2.13, 3.46 A)
 &rst
  ixpk= 588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 734, 735,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:589     49 MET  ME          2.80    (#    589:25  Single Ambig)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 721, 722, 723,1685,1686,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:591     92 THR  MG2         3.50    (#    591:25  Single Ambig)
 &rst
  ixpk= 591, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1352,1350,
 igr2=1354,1355,1356,
 &end
#
#   91 VAL  MGX          92 THR  MG2         3.50    (#    592:25  Unique         2.63, 6.19 A)
 &rst
  ixpk= 592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1354,1355,1356,
 &end
#
#   75 VAL  HA           75 VAL  MGY         2.80    (#    593:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 593, nxpk= 25, iat=1101,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  QD1          75 VAL  MGY         4.50    (#    594:25  Unique         2.98, 5.56 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1144,1145,1146,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#  109 LEU  MDX          49 MET  ME          3.50    (#    595:25  Unique         2.08, 3.99 A)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 738, 739, 740,
 &end
#
#  109 LEU  MDY          49 MET  ME          2.80    (#    596:25  Unique         2.08, 3.99 A)
 &rst
  ixpk= 596, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 738, 739, 740,
 &end
#
#  114 THR  HA          114 THR  MG2         2.80    (#    597:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 597, nxpk= 25, iat=1704,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  25-2:599     53 VAL  MGY         2.80    (#    599:25  Single Ambig)
 &rst
  ixpk= 599, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1742,1743, 795,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  115 VAL  HA          115 VAL  MGX         2.80    (#    600:25  Unique         2.28, 3.15 A)
 &rst
  ixpk= 600, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HB          115 VAL  MGX         2.80    (#    601:25  Unique         2.22, 2.67 A)
 &rst
  ixpk= 601, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:602    115 VAL  MGX         2.80    (#    602:25  Single Ambig)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1524,1525,1505,1506,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    4 VAL  HA            4 VAL  MGY         2.80    (#    603:25  Unique         2.25, 3.15 A)
 &rst
  ixpk= 603, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   75 VAL  HB            4 VAL  MGY         2.80    (#    604:25  Unique         2.15, 3.60 A)
 &rst
  ixpk= 604, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:605      4 VAL  MGY         2.80    (#    605:25  Single Ambig)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 463,  69,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:608      1 MET  ME          2.80    (#    608:25  Single Ambig)
 &rst
  ixpk= 608, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  31,  32, 447, 448,  28,  29,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-2:609     24 THR  MG2         2.80    (#    609:25  Single Ambig)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 384, 382,
 igr2= 386, 387, 388,
 &end
#
#   25 LEU  MDX          24 THR  MG2         3.50    (#    610:25  Unique         2.72, 5.08 A)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2= 386, 387, 388,
 &end
#
#   76 VAL  HB           76 VAL  MGY         2.80    (#    611:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 611, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HE3          76 VAL  MGY         3.50    (#    612:25  Unique         2.05, 2.90 A)
 &rst
  ixpk= 612, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:613     84 VAL  MGX         3.50    (#    613:25  Single Ambig)
 &rst
  ixpk= 613, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1218,1211,1212,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HB           84 VAL  MGX         2.80    (#    614:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 614, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    0 AMB  25-2:615      4 VAL  MGX         2.80    (#    615:25  Single Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 463,  69,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:616      4 VAL  MGX         3.50    (#    616:25  Single Ambig)
 &rst
  ixpk= 616, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1909,1931,1932,  85,  86,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:618      0 AMB  25-1:618    3.50    (#    618:25  Double Ambig)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1332, 108, 112,1348,
 igr2=1338,1339,1340,1342,1343,1344,  71,  72,  73,  75,
        76,  77,
 &end
#
#    0 AMB  25-2:619      0 AMB  25-1:619    2.80    (#    619:25  Double Ambig)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1=1911,1912,1913,1915,1916,1917,1336,
 igr2=  71,  72,  73,  75,  76,  77,1338,1339,1340,1342,
      1343,1344,
 &end
#
#   91 VAL  HA           91 VAL  MGY         2.80    (#    620:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 620, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   31 ALA  HN           31 ALA  MB          2.80    (#    621:25  Unique         2.52, 3.14 A)
 &rst
  ixpk= 621, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#    0 AMB  25-2:623      0 AMB  25-1:623    2.80    (#    623:25  Double Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=   8,   9,  47,  48,
 igr2=  15,  16,  17, 482, 483, 484,
 &end
#
#    7 VAL  HB            7 VAL  MGX         2.80    (#    624:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 122,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HE3          76 VAL  MGX         3.50    (#    626:25  Unique         2.05, 2.90 A)
 &rst
  ixpk= 626, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#  111 VAL  HA          111 VAL  MGX         2.80    (#    627:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 627, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HB          111 VAL  MGX         2.80    (#    628:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 628, nxpk= 25, iat=1646,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    7 VAL  HB            7 VAL  MGY         3.50    (#    630:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 630, nxpk= 25, iat= 122,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   76 VAL  HB           76 VAL  MGX         2.80    (#    632:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 632, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  HB           75 VAL  MGX         2.80    (#    634:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 634, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HB           75 VAL  MGX         2.80    (#    635:25  Unique         2.03, 2.76 A)
 &rst
  ixpk= 635, nxpk= 25, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  25-2:636     75 VAL  MGX         3.50    (#    636:25  Single Ambig)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1911,1912,1913,1915,1916,1917,1404,1405,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   22 ALA  HN           22 ALA  MB          2.80    (#    637:25  Unique         2.33, 2.88 A)
 &rst
  ixpk= 637, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#    6 PHE  HE           22 ALA  MB          2.80    (#    638:25  Unique         2.49, 4.18 A)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 108, 112,
 igr2= 352, 353, 354,
 &end
#
#   22 ALA  HA           22 ALA  MB          2.80    (#    639:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#   32 VAL  MGX          22 ALA  MB          2.80    (#    640:25  Unique         2.08, 4.02 A)
 &rst
  ixpk= 640, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:641     22 ALA  MB          2.80    (#    641:25  Single Ambig)
 &rst
  ixpk= 641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:642     22 ALA  MB          2.80    (#    642:25  Single Ambig)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 352, 353, 354,
 &end
#
#   53 VAL  HN           53 VAL  MGX         2.80    (#    643:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 643, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:645     53 VAL  MGX         2.80    (#    645:25  Single Ambig)
 &rst
  ixpk= 645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1742,1743, 795,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:646     30 ILE  QG2         2.80    (#    646:25  Single Ambig)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  25,  26,1982,1983,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:647     30 ILE  QG2         3.50    (#    647:25  Single Ambig)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 469, 470,1982,1983,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:648     91 VAL  MGX         3.50    (#    648:25  Single Ambig)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1332,1348,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   88 PRO  HA           91 VAL  MGX         2.80    (#    649:25  Unique         2.17, 3.90 A)
 &rst
  ixpk= 649, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  HB           91 VAL  MGX         2.80    (#    650:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 650, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   92 THR  MG2          91 VAL  MGX         3.50    (#    651:25  Unique         2.63, 6.19 A)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1354,1355,1356,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   30 ILE  HA           30 ILE  QG2         2.80    (#    653:25  Unique         2.15, 3.01 A)
 &rst
  ixpk= 653, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 465, 466, 467,
 &end
#
#   30 ILE  HB           30 ILE  QG2         2.80    (#    654:25  Unique         2.29, 2.65 A)
 &rst
  ixpk= 654, nxpk= 25, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:655     57 ILE  QG2         2.80    (#    655:25  Single Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 849, 751, 752, 889, 890,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HG1+         57 ILE  QG2         3.50    (#    656:25  Unique         2.34, 3.55 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 855, 856,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  QD1          57 ILE  QG2         2.80    (#    657:25  Unique         2.20, 3.66 A)
 &rst
  ixpk= 657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 858, 859, 860,
 igr2= 851, 852, 853,
 &end
#
#   27 ALA  HN           27 ALA  MB          2.80    (#    658:25  Unique         2.50, 2.90 A)
 &rst
  ixpk= 658, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 424, 425, 426,
 &end
#
#   27 ALA  HA           27 ALA  MB          2.80    (#    659:25  Unique         2.45, 2.68 A)
 &rst
  ixpk= 659, nxpk= 25, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 424, 425, 426,
 &end
#
#  125 ASN  HA          128 ALA  MB          2.80    (#    660:25  Unique         2.63, 3.47 A)
 &rst
  ixpk= 660, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#  128 ALA  HA          128 ALA  MB          2.80    (#    661:25  Unique         2.44, 2.68 A)
 &rst
  ixpk= 661, nxpk= 25, iat=1942,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#  128 ALA  HN          128 ALA  MB          2.80    (#    662:25  Unique         2.43, 2.87 A)
 &rst
  ixpk= 662, nxpk= 25, iat=1940,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#   48 ALA  HN           48 ALA  MB          2.80    (#    663:25  Unique         2.50, 2.90 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 717,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#    664:25  Unique         2.42, 2.65 A)
 &rst
  ixpk= 664, nxpk= 25, iat= 719,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   45 THR  HA           48 ALA  MB          2.80    (#    665:25  Unique         2.63, 3.69 A)
 &rst
  ixpk= 665, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   70 ALA  HN           70 ALA  MB          2.80    (#    666:25  Unique         2.29, 2.82 A)
 &rst
  ixpk= 666, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HA           70 ALA  MB          3.50    (#    667:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 667, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HG+          70 ALA  MB          3.50    (#    668:25  Unique         3.76, 5.28 A)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1300,1301,
 igr2=1036,1037,1038,
 &end
#
#   70 ALA  HA           70 ALA  MB          2.80    (#    669:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 669, nxpk= 25, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1036,1037,1038,
 &end
#
#   47 ILE  HG1-         47 ILE  QG2         2.80    (#    670:25  Unique         2.24, 3.03 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 708, 709,
 igr2= 704, 705, 706,
 &end
#
#    0 AMB  25-2:671     95 ILE  QG2         2.80    (#    671:25  Single Ambig)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1440,1441,1437,1438,
 igr2=1400,1401,1402,
 &end
#
#   95 ILE  HB           95 ILE  QG2         2.80    (#    672:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 672, nxpk= 25, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1400,1401,1402,
 &end
#
#    5 MET  HG+           5 MET  ME          3.50    (#    673:25  Unique         2.30, 3.54 A)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  88,  89,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:676      0 AMB  25-1:676    2.80    (#    676:25  Double Ambig)
 &rst
  ixpk= 676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 415, 416, 719, 670,
 igr2=1927,1928,1929, 704, 705, 706,
 &end
#
#  127 ILE  HB          127 ILE  QG2         2.80    (#    677:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 677, nxpk= 25, iat=1925,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1927,1928,1929,
 &end
#
#  130 ILE  HG1-        130 ILE  QG2         2.80    (#    678:25  Unique         2.46, 3.54 A)
 &rst
  ixpk= 678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1982,1983,
 igr2=1978,1979,1980,
 &end
#
#    0 AMB  25-2:679      0 AMB  25-1:679    2.80    (#    679:25  Double Ambig)
 &rst
  ixpk= 679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1972,1940,
 igr2=1978,1979,1980,1927,1928,1929,
 &end
#
#  130 ILE  HA          130 ILE  QG2         2.80    (#    680:25  Unique         2.17, 2.76 A)
 &rst
  ixpk= 680, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1978,1979,1980,
 &end
#
#  130 ILE  HB          130 ILE  QG2         2.80    (#    681:25  Unique         2.38, 2.67 A)
 &rst
  ixpk= 681, nxpk= 25, iat=1976,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1978,1979,1980,
 &end
#
#    0 AMB  25-2:682    130 ILE  QG2         2.80    (#    682:25  Single Ambig)
 &rst
  ixpk= 682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1404,1405,  31,  32,
 igr2=1978,1979,1980,
 &end
#
#   17 MET  HA           50 MET  ME          4.50    (#    683:25  Unique         3.21, 5.06 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 755, 756, 757,
 &end
#
#   17 MET  HB+          50 MET  ME          3.50    (#    684:25  Unique         2.19, 4.09 A)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 283, 284,
 igr2= 755, 756, 757,
 &end
#
#   18 ALA  HA           18 ALA  MB          2.80    (#    687:25  Unique         2.45, 2.72 A)
 &rst
  ixpk= 687, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 300, 301, 302,
 &end
#
#    0 AMB  25-2:689      0 AMB  25-1:689    2.80    (#    689:25  Double Ambig)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1786,1787,1788,1790,1791,1792, 818, 855, 856,
 igr2= 300, 301, 302, 820, 821, 822,
 &end
#
#   57 ILE  QG2          55 ILE  QG2         2.80    (#    690:25  Unique         2.09, 3.41 A)
 &rst
  ixpk= 690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 851, 852, 853,
 igr2= 820, 821, 822,
 &end
#
#   65 ILE  HB           65 ILE  QG2         2.80    (#    693:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 693, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 956, 957, 958,
 &end
#
#   65 ILE  QD1          65 ILE  QG2         2.80    (#    694:25  Unique         2.36, 3.62 A)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 963, 964, 965,
 igr2= 956, 957, 958,
 &end
#
#    0 AMB  25-2:695     17 MET  ME          2.80    (#    695:25  Single Ambig)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 818, 797, 798, 799, 801, 802, 803, 855, 856,
 igr2= 290, 291, 292,
 &end
#
#  130 ILE  HB          130 ILE  QD1         2.80    (#    696:25  Unique         2.37, 3.14 A)
 &rst
  ixpk= 696, nxpk= 25, iat=1976,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:697    130 ILE  QD1         2.80    (#    697:25  Single Ambig)
 &rst
  ixpk= 697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1982,1983,  25,  26,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:698    130 ILE  QD1         2.80    (#    698:25  Single Ambig)
 &rst
  ixpk= 698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1982,1983, 469, 470,
 igr2=1985,1986,1987,
 &end
#
#   55 ILE  HG1-         55 ILE  QD1         2.80    (#    699:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 824, 825,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:700     55 ILE  QD1         3.50    (#    700:25  Single Ambig)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 igr2= 827, 828, 829,
 &end
#
#   55 ILE  HG1+         55 ILE  QD1         2.80    (#    701:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 824, 825,
 igr2= 827, 828, 829,
 &end
#
#   17 MET  ME           55 ILE  QD1         3.50    (#    702:25  Unique         2.30, 3.82 A)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 290, 291, 292,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:703     57 ILE  QD1         2.80    (#    703:25  Single Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 751, 752, 849,
 igr2= 858, 859, 860,
 &end
#
#   17 MET  ME           57 ILE  QD1         2.80    (#    704:25  Unique         2.99, 5.00 A)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 290, 291, 292,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  25-2:705    127 ILE  QD1         2.80    (#    705:25  Single Ambig)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1925,1931,1932,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HG1+         30 ILE  QD1         2.80    (#    706:25  Unique         2.93, 4.10 A)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1931,1932,
 igr2= 472, 473, 474,
 &end
#
#   22 ALA  MB           30 ILE  QD1         2.80    (#    707:25  Unique         2.33, 4.31 A)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 352, 353, 354,
 igr2= 472, 473, 474,
 &end
#
#    0 AMB  25-2:708      0 AMB  25-1:708    2.80    (#    708:25  Double Ambig)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 708, 709, 463,  69,
 igr2= 711, 712, 713, 472, 473, 474,
 &end
#
#   30 ILE  HG1+         30 ILE  QD1         2.80    (#    709:25  Unique         2.34, 2.66 A)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 469, 470,
 igr2= 472, 473, 474,
 &end
#
#   77 ILE  QD1          77 ILE  QG2         3.50    (#    710:25  Unique         2.19, 3.86 A)
 &rst
  ixpk= 710, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1144,1145,1146,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:711      0 AMB  25-1:711    2.80    (#    711:25  Double Ambig)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 670, 415, 416,
 igr2= 711, 712, 713, 472, 473, 474,
 &end
#
#   47 ILE  HB           47 ILE  QD1         2.80    (#    712:25  Unique         2.58, 3.20 A)
 &rst
  ixpk= 712, nxpk= 25, iat= 702,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:713     95 ILE  QD1         2.80    (#    713:25  Single Ambig)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1404,1405,1982,1983,1911,1912,1913,1915,1916,1917,
      
 igr2=1407,1408,1409,
 &end
#
#   95 ILE  HG1+         95 ILE  QD1         2.80    (#    714:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  25-2:715     95 ILE  QD1         2.80    (#    715:25  Single Ambig)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1960,1961,1398,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  25-2:716     65 ILE  QD1         2.80    (#    716:25  Single Ambig)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 960, 961, 956, 957, 958,
 igr2= 963, 964, 965,
 &end
#
#  126 LEU  MDX          77 ILE  QD1         2.80    (#    717:25  Unique         2.27, 4.91 A)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HG1-         77 ILE  QD1         2.80    (#    718:25  Unique         2.34, 2.67 A)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1141,1142,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  QG2          77 ILE  QD1         2.80    (#    719:25  Unique         2.19, 3.86 A)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1137,1138,1139,
 igr2=1144,1145,1146,
 &end
#
#   60 GLN  HN           60 GLN  HA          3.50    (#    720:25  Unique         2.78, 2.90 A)
 &rst
  ixpk= 720, nxpk= 25, iat= 882, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:721    125 ASN  HA          3.50    (#    721:25  Single Ambig)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,1890, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1940,1897,1898,
 &end
#
#   47 ILE  QD1          43 HIS  HA          4.50    (#    722:25  Unique         4.16, 5.53 A)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 711, 712, 713,
 &end
#
#   77 ILE  HG1-         77 ILE  HA          3.50    (#    723:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1141,1142,
 &end
#
#    0 AMB  25-2:724     77 ILE  HA          5.50    (#    724:25  Single Ambig)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1170,1171,1172,1174,1175,1176,1400,1401,1402,1105,
      1106,1107,1109,1110,1111,
 &end
#
#   76 VAL  MGY          77 ILE  HA          4.50    (#    725:25  Unique         3.38, 5.60 A)
 &rst
  ixpk= 725, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    3 LYS  HN            3 LYS  HB+         2.80    (#    726:25  Unique         2.65, 3.23 A)
 &rst
  ixpk= 726, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  47,  48,
 &end
#
#    3 LYS  HN            2 LYS  HB-         4.50    (#    727:25  Unique         3.14, 3.72 A)
 &rst
  ixpk= 727, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#   30 ILE  HA            1 MET  HB+         4.50    (#    730:25  Unique         2.17, 3.31 A)
 &rst
  ixpk= 730, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=   8,   9,
 &end
#
#    3 LYS  HA            3 LYS  HB+         2.80    (#    731:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 731, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  47,  48,
 &end
#
#    1 MET  HA            1 MET  HB+         2.80    (#    732:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 732, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB-         2.80    (#    733:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 733, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=   8,   9,
 &end
#
#   73 TYR  HA            3 LYS  HB+         2.80    (#    734:25  Unique         1.99, 2.83 A)
 &rst
  ixpk= 734, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  47,  48,
 &end
#
#    0 AMB  25-2:735      0 AMB  25-1:735    2.80    (#    735:25  Double Ambig)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1=  15,  16,  17,  50,  51,
 igr2=   8,   9,  47,  48,
 &end
#
#    1 MET  ME            1 MET  HG-         5.50    (#    736:25  Unique         2.57, 3.41 A)
 &rst
  ixpk= 736, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  15,  16,  17,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG-         3.50    (#    737:25  Unique         2.75, 3.38 A)
 &rst
  ixpk= 737, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG+         3.50    (#    738:25  Unique         2.75, 3.38 A)
 &rst
  ixpk= 738, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG-         3.50    (#    739:25  Unique         2.46, 3.61 A)
 &rst
  ixpk= 739, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG+         3.50    (#    740:25  Unique         2.46, 3.61 A)
 &rst
  ixpk= 740, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#    2 LYS  HN            1 MET  HG-         4.50    (#    741:25  Unique         1.93, 3.73 A)
 &rst
  ixpk= 741, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#    2 LYS  HN            1 MET  HG+         4.50    (#    742:25  Unique         1.93, 3.73 A)
 &rst
  ixpk= 742, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   31 ALA  HN            1 MET  HG-         4.50    (#    743:25  Unique         4.02, 4.91 A)
 &rst
  ixpk= 743, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   43 HIS  HB+          43 HIS  HA          3.50    (#    744:25  Unique         2.26, 2.74 A)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#    0 AMB  25-2:745      0 AMB  25-1:745    3.50    (#    745:25  Double Ambig)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  50,  51, 610, 611,
 igr2=  23, 645,
 &end
#
#   74 ASP  HN            2 LYS  HB+         4.50    (#    746:25  Unique         4.29, 5.15 A)
 &rst
  ixpk= 746, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#   74 ASP  HN            2 LYS  HB-         4.50    (#    747:25  Unique         4.29, 5.15 A)
 &rst
  ixpk= 747, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB-         3.50    (#    748:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 748, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB+         2.80    (#    749:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 749, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  25,  26,
 &end
#
#    2 LYS  HE-           2 LYS  HB-         3.50    (#    750:25  Unique         2.39, 3.56 A)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  34,  35,
 igr2=  25,  26,
 &end
#
#   74 ASP  HB-           2 LYS  HB-         3.50    (#    751:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1091,1092,
 igr2=  25,  26,
 &end
#
#   30 ILE  QG2           2 LYS  HB-         3.50    (#    752:25  Unique         2.07, 3.89 A)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 465, 466, 467,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-2:753      2 LYS  HB-         3.50    (#    753:25  Single Ambig)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1105,1106,1107,1109,1110,1111,1985,1986,1987,
 igr2=  25,  26,
 &end
#
#   23 LYS  HB+          23 LYS  HG-         2.80    (#    754:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 362, 363,
 igr2= 365, 366,
 &end
#
#   74 ASP  HB-           2 LYS  HG-         4.50    (#    755:25  Unique         3.46, 4.27 A)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1091,1092,
 igr2=  28,  29,
 &end
#
#    2 LYS  HE+           2 LYS  HG+         2.80    (#    756:25  Unique         2.44, 3.51 A)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  34,  35,
 igr2=  28,  29,
 &end
#
#    2 LYS  HE-           2 LYS  HG-         2.80    (#    757:25  Unique         2.44, 3.51 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  34,  35,
 igr2=  28,  29,
 &end
#
#    2 LYS  HA            2 LYS  HG-         3.50    (#    758:25  Unique         2.47, 3.19 A)
 &rst
  ixpk= 758, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  28,  29,
 &end
#
#    2 LYS  HN            2 LYS  HG+         3.50    (#    761:25  Unique         2.03, 3.44 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  28,  29,
 &end
#
#   74 ASP  HN            2 LYS  HG-         5.50    (#    762:25  Unique         5.98, 6.31 A)
 &rst
  ixpk= 762, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  28,  29,
 &end
#
#    3 LYS  HN            0 AMB  25-1:763    4.50    (#    763:25  Single Ambig)
 &rst
  ixpk= 763, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  53,  54,  31,  32,
 &end
#
#   74 ASP  HN            3 LYS  HD+         4.50    (#    764:25  Unique         4.36, 5.17 A)
 &rst
  ixpk= 764, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  53,  54,
 &end
#
#    3 LYS  HA            0 AMB  25-1:765    4.50    (#    765:25  Single Ambig)
 &rst
  ixpk= 765, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  53,  54,  31,  32,
 &end
#
#   73 TYR  HA            3 LYS  HD+         3.50    (#    766:25  Unique         2.45, 3.43 A)
 &rst
  ixpk= 766, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  53,  54,
 &end
#
#    0 AMB  25-2:767      0 AMB  25-1:767    3.50    (#    767:25  Double Ambig)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=   6,  23,1993,
 igr2=  31,  32,  31,  32,  31,  32,
 &end
#
#    0 AMB  25-2:768      2 LYS  HD-         3.50    (#    768:25  Single Ambig)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=   6,  23,
 igr2=  31,  32,
 &end
#
#    2 LYS  HE-           2 LYS  HD+         3.50    (#    769:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  34,  35,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:770      2 LYS  HD-         2.80    (#    770:25  Single Ambig)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 465, 466, 467,1978,1979,1980,
 igr2=  31,  32,
 &end
#
#    4 VAL  MGY           3 LYS  HA          3.50    (#    771:25  Unique         3.31, 5.61 A)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    3 LYS  HG+           3 LYS  HA          2.80    (#    772:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  50,  51,
 &end
#
#  100 GLN  HB-          79 LEU  HA          5.50    (#    773:25  Unique         4.72, 6.19 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1488,1489,
 &end
#
#   73 TYR  HB+           3 LYS  HA          4.50    (#    774:25  Unique         4.69, 5.60 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   73 TYR  HD            3 LYS  HA          5.50    (#    775:25  Unique         3.89, 5.83 A)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1074,1083,
 &end
#
#   31 ALA  HN            3 LYS  HA          2.80    (#    776:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 776, nxpk= 25, iat= 478,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HN            3 LYS  HA          3.50    (#    777:25  Unique         2.93, 2.96 A)
 &rst
  ixpk= 777, nxpk= 25, iat=  43,  45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:778      4 VAL  HB          3.50    (#    778:25  Single Ambig)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 504, 478,
 &end
#
#   73 TYR  HD            3 LYS  HB+         3.50    (#    779:25  Unique         2.28, 3.89 A)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1074,1083,
 igr2=  47,  48,
 &end
#
#    3 LYS  HE+           3 LYS  HG+         4.50    (#    780:25  Unique         2.51, 3.38 A)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  56,  57,
 igr2=  50,  51,
 &end
#
#    3 LYS  HA            3 LYS  HG+         4.50    (#    781:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 781, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    3 LYS  HA            3 LYS  HG-         3.50    (#    782:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 782, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    3 LYS  HA            3 LYS  HG+         3.50    (#    783:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#  130 ILE  HN          130 ILE  HG1+        2.80    (#    784:25  Unique         1.88, 2.22 A)
 &rst
  ixpk= 784, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1982,1983,
 &end
#
#  130 ILE  HN          130 ILE  HG1-        2.80    (#    785:25  Unique         1.88, 2.22 A)
 &rst
  ixpk= 785, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1982,1983,
 &end
#
#    3 LYS  HN            3 LYS  HG+         3.50    (#    786:25  Unique         2.14, 2.86 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    3 LYS  HN            3 LYS  HG-         5.50    (#    787:25  Unique         2.14, 2.86 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    0 AMB  25-2:789      0 AMB  25-1:789    3.50    (#    789:25  Double Ambig)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 439,1974,
 igr2=  34,  35,  34,  35, 450, 451,
 &end
#
#  131 SER  HA            2 LYS  HE+         3.50    (#    790:25  Unique         2.33, 3.59 A)
 &rst
  ixpk= 790, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  34,  35,
 &end
#
#    0 AMB  25-2:791      4 VAL  HA          5.50    (#    791:25  Single Ambig)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 465, 466, 467,1978,1979,1980,1407,1408,1409,1400,
      1401,1402,
 &end
#
#    0 AMB  25-2:792      4 VAL  HA          4.50    (#    792:25  Single Ambig)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  85,  86,1911,1912,1913,1915,1916,1917,
 &end
#
#    4 VAL  HB            4 VAL  HA          3.50    (#    793:25  Unique         3.00, 3.02 A)
 &rst
  ixpk= 793, nxpk= 25, iat=  69,  67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  HA            4 VAL  HB          2.80    (#    794:25  Unique         2.26, 2.56 A)
 &rst
  ixpk= 794, nxpk= 25, iat= 490,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  MGX           4 VAL  HB          3.50    (#    795:25  Unique         2.26, 4.14 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGY           4 VAL  HB          2.80    (#    796:25  Unique         2.26, 4.14 A)
 &rst
  ixpk= 796, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   75 VAL  HB            4 VAL  MGX         3.50    (#    799:25  Unique         2.15, 3.60 A)
 &rst
  ixpk= 799, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   90 TRP  HB+          91 VAL  MGY         4.50    (#    800:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    4 VAL  HA            4 VAL  MGX         3.50    (#    803:25  Unique         2.25, 3.15 A)
 &rst
  ixpk= 803, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   76 VAL  HA            4 VAL  MGX         5.50    (#    804:25  Unique         3.82, 5.73 A)
 &rst
  ixpk= 804, nxpk= 25, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    6 PHE  HD            4 VAL  MGX         3.50    (#    805:25  Unique         3.26, 6.30 A)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 106, 114,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   96 PHE  HD           91 VAL  MGY         3.50    (#    806:25  Unique         2.32, 6.16 A)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1421,1429,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    5 MET  HN            4 VAL  MGX         3.50    (#    808:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 808, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  HN            4 VAL  MGX         4.50    (#    809:25  Unique         2.55, 4.08 A)
 &rst
  ixpk= 809, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  HN            4 VAL  MGY         3.50    (#    810:25  Unique         2.55, 4.08 A)
 &rst
  ixpk= 810, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   75 VAL  HN            4 VAL  MGY         4.50    (#    811:25  Unique         4.03, 5.31 A)
 &rst
  ixpk= 811, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    6 PHE  HE            4 VAL  MGY         5.50    (#    812:25  Unique         2.25, 4.90 A)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 108, 112,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   30 ILE  HG1+          4 VAL  MGY         3.50    (#    815:25  Unique         3.11, 6.12 A)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 469, 470,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#  126 LEU  MDY           4 VAL  MGY         2.80    (#    816:25  Unique         2.30, 4.44 A)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    5 MET  HB-           5 MET  HA          3.50    (#    817:25  Unique         2.40, 2.75 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#    5 MET  HG+           5 MET  HA          3.50    (#    818:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  88,  89,
 &end
#
#    5 MET  HB+           5 MET  HA          3.50    (#    819:25  Unique         2.40, 2.75 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#   34 SER  HA            5 MET  HA          4.50    (#    820:25  Unique         3.63, 3.93 A)
 &rst
  ixpk= 820, nxpk= 25, iat= 520,  83, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 MET  HN            5 MET  HA          3.50    (#    821:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 821, nxpk= 25, iat=  81,  83, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HN            5 MET  HB+         4.50    (#    822:25  Unique         3.41, 4.50 A)
 &rst
  ixpk= 822, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  85,  86,
 &end
#
#   49 MET  HA           49 MET  HB-         3.50    (#    823:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#    0 AMB  25-2:824      0 AMB  25-1:824    4.50    (#    824:25  Double Ambig)
 &rst
  ixpk= 824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1070,1071,  56,  57,
 igr2=  85,  86,  85,  86,
 &end
#
#   49 MET  HG+          49 MET  HB-         2.80    (#    825:25  Unique         2.16, 2.61 A)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 734, 735,
 igr2= 731, 732,
 &end
#
#   76 VAL  MGX           5 MET  HB+         3.50    (#    826:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=  85,  86,
 &end
#
#    7 VAL  MGY           5 MET  HB+         3.50    (#    827:25  Unique         4.07, 6.41 A)
 &rst
  ixpk= 827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=  85,  86,
 &end
#
#    5 MET  HA            5 MET  HB-         3.50    (#    828:25  Unique         2.40, 2.75 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  85,  86,
 &end
#
#    5 MET  HN            5 MET  HB-         4.50    (#    829:25  Unique         2.63, 3.02 A)
 &rst
  ixpk= 829, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  85,  86,
 &end
#
#   90 TRP  HZ3           5 MET  HB-         5.50    (#    830:25  Unique         2.97, 3.70 A)
 &rst
  ixpk= 830, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  85,  86,
 &end
#
#    6 PHE  HE            5 MET  HB-         5.50    (#    831:25  Unique         6.58, 7.78 A)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 108, 112,
 igr2=  85,  86,
 &end
#
#   76 VAL  MGX           5 MET  HB-         4.50    (#    832:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=  85,  86,
 &end
#
#    5 MET  ME            5 MET  HB-         4.50    (#    833:25  Unique         2.30, 4.15 A)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=  85,  86,
 &end
#
#    7 VAL  MGY           5 MET  HG+         3.50    (#    834:25  Unique         2.18, 4.67 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=  88,  89,
 &end
#
#    5 MET  ME            5 MET  HG+         3.50    (#    835:25  Unique         2.30, 3.54 A)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  92,  93,  94,
 igr2=  88,  89,
 &end
#
#    5 MET  HB-           5 MET  HG+         2.80    (#    836:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 MET  HA            5 MET  HG+         5.50    (#    837:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 837, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  88,  89,
 &end
#
#   63 ASP  HN           35 CYS  HA          4.50    (#    838:25  Unique         2.19, 3.84 A)
 &rst
  ixpk= 838, nxpk= 25, iat= 924, 531, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 GLY  HN           35 CYS  HA          2.80    (#    839:25  Unique         2.19, 2.46 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 540, 531, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 PHE  HN            6 PHE  HA          4.50    (#    840:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 840, nxpk= 25, iat=  98, 100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:841      0 AMB  25-1:841    5.50    (#    841:25  Double Ambig)
 &rst
  ixpk= 841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 134, 518,
 igr2= 531, 100,
 &end
#
#    6 PHE  HD            6 PHE  HA          3.50    (#    842:25  Unique         2.13, 3.45 A)
 &rst
  ixpk= 842, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#   68 PHE  HZ           35 CYS  HA          5.50    (#    843:25  Unique         3.65, 4.55 A)
 &rst
  ixpk= 843, nxpk= 25, iat=1010, 531, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 CYS  HB+          35 CYS  HA          2.80    (#    846:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 533, 534,
 &end
#
#   77 ILE  HB            6 PHE  HA          2.80    (#    848:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 848, nxpk= 25, iat=1135, 100, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 LEU  MDX           6 PHE  HA          4.50    (#    849:25  Unique         3.20, 5.43 A)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#  126 LEU  MDX           6 PHE  HA          5.50    (#    851:25  Unique         6.54, 7.96 A)
 &rst
  ixpk= 851, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#    7 VAL  MGY           6 PHE  HA          3.50    (#    852:25  Unique         3.15, 5.51 A)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   18 ALA  MB            6 PHE  HB-         5.50    (#    853:25  Unique         2.94, 4.68 A)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 300, 301, 302,
 igr2= 102, 103,
 &end
#
#   18 ALA  MB            6 PHE  HB+         5.50    (#    854:25  Unique         2.94, 4.68 A)
 &rst
  ixpk= 854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 300, 301, 302,
 igr2= 102, 103,
 &end
#
#   79 LEU  MDX           6 PHE  HB-         4.50    (#    855:25  Unique         2.75, 5.56 A)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 102, 103,
 &end
#
#   79 LEU  MDX           6 PHE  HB+         4.50    (#    856:25  Unique         2.75, 5.56 A)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 102, 103,
 &end
#
#    0 AMB  25-2:857      6 PHE  HB-         5.50    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1135,1165,1166,
 igr2= 102, 103,
 &end
#
#    0 AMB  25-2:858      0 AMB  25-1:858    4.50    (#    858:25  Double Ambig)
 &rst
  ixpk= 858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1135,1165,1166,
 igr2= 102, 103, 102, 103,
 &end
#
#    0 AMB  25-2:859      6 PHE  HB-         3.50    (#    859:25  Single Ambig)
 &rst
  ixpk= 859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 522, 523, 253,
 igr2= 102, 103,
 &end
#
#    0 AMB  25-2:860      0 AMB  25-1:860    3.50    (#    860:25  Double Ambig)
 &rst
  ixpk= 860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 522, 523, 253,
 igr2= 102, 103, 102, 103,
 &end
#
#  123 VAL  HA          126 LEU  HB+         3.50    (#    861:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 861, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  126 LEU  HA          126 LEU  HB+         3.50    (#    862:25  Unique         2.17, 2.56 A)
 &rst
  ixpk= 862, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#    6 PHE  HA            6 PHE  HB-         3.50    (#    863:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 863, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 102, 103,
 &end
#
#    6 PHE  HA            6 PHE  HB+         4.50    (#    864:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 102, 103,
 &end
#
#    6 PHE  HD            6 PHE  HB-         3.50    (#    865:25  Unique         2.42, 3.09 A)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 114,
 igr2= 102, 103,
 &end
#
#    6 PHE  HD            6 PHE  HB+         3.50    (#    866:25  Unique         2.42, 3.09 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 114,
 igr2= 102, 103,
 &end
#
#    6 PHE  HN            6 PHE  HB-         5.50    (#    867:25  Unique         2.46, 3.12 A)
 &rst
  ixpk= 867, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    6 PHE  HN            6 PHE  HB+         4.50    (#    868:25  Unique         2.46, 3.12 A)
 &rst
  ixpk= 868, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 102, 103,
 &end
#
#   35 CYS  HN            7 VAL  HA          4.50    (#    869:25  Unique         2.59, 2.92 A)
 &rst
  ixpk= 869, nxpk= 25, iat= 529, 120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 CYS  HN            7 VAL  HA          3.50    (#    870:25  Unique         2.08, 2.20 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 134, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HB            7 VAL  HA          4.50    (#    871:25  Unique         3.00, 3.01 A)
 &rst
  ixpk= 871, nxpk= 25, iat= 122, 120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  MGX           7 VAL  HA          3.50    (#    872:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGY           7 VAL  HA          3.50    (#    873:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   78 SER  HA            7 VAL  HB          4.50    (#    874:25  Unique         1.99, 2.05 A)
 &rst
  ixpk= 874, nxpk= 25, iat=1152, 122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HA            7 VAL  HB          4.50    (#    876:25  Unique         3.00, 3.01 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 120, 122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HN            7 VAL  HB          2.80    (#    877:25  Unique         2.62, 2.77 A)
 &rst
  ixpk= 877, nxpk= 25, iat= 118, 122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HN            7 VAL  MGY         3.50    (#    878:25  Unique         2.17, 3.92 A)
 &rst
  ixpk= 878, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    8 CYS  HN            7 VAL  MGX         3.50    (#    879:25  Unique         2.31, 4.42 A)
 &rst
  ixpk= 879, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    8 CYS  HN            7 VAL  MGY         5.50    (#    880:25  Unique         2.31, 4.42 A)
 &rst
  ixpk= 880, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   36 GLY  HA-           7 VAL  MGX         4.50    (#    881:25  Unique         2.49, 6.10 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 542, 543,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HA            7 VAL  MGX         3.50    (#    882:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 882, nxpk= 25, iat= 120,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#    883:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 883, nxpk= 25, iat= 120,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    6 PHE  HA            7 VAL  MGY         4.50    (#    884:25  Unique         3.15, 5.51 A)
 &rst
  ixpk= 884, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HB+           7 VAL  MGY         5.50    (#    886:25  Unique         5.07, 7.47 A)
 &rst
  ixpk= 886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HB+           7 VAL  MGX         5.50    (#    887:25  Unique         5.07, 7.47 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   79 LEU  HB+           7 VAL  MGY         5.50    (#    888:25  Unique         5.52, 7.61 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1165,1166,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:889      7 VAL  MGY         5.50    (#    889:25  Single Ambig)
 &rst
  ixpk= 889, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1121,1122,1123,1125,1126,1127, 954,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   76 VAL  MGY           7 VAL  MGY         4.50    (#    890:25  Unique         2.59, 6.26 A)
 &rst
  ixpk= 890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1           7 VAL  MGX         3.50    (#    891:25  Unique         2.19, 4.43 A)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964, 965,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1           7 VAL  MGY         4.50    (#    892:25  Unique         2.19, 4.43 A)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 963, 964, 965,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   57 ILE  QD1          17 MET  HA          5.50    (#    893:25  Unique         2.24, 3.50 A)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 858, 859, 860,
 &end
#
#   17 MET  ME           17 MET  HA          3.50    (#    894:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 290, 291, 292,
 &end
#
#  119 VAL  MGX          17 MET  HA          5.50    (#    895:25  Unique         4.75, 6.88 A)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   17 MET  HB-          17 MET  HA          2.80    (#    896:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 283, 284,
 &end
#
#   50 MET  HG+          17 MET  HA          4.50    (#    897:25  Unique         3.30, 4.12 A)
 &rst
  ixpk= 897, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 751, 752,
 &end
#
#   17 MET  HG+          17 MET  HA          3.50    (#    898:25  Unique         2.36, 3.36 A)
 &rst
  ixpk= 898, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 286, 287,
 &end
#
#   17 MET  HN           17 MET  HA          3.50    (#    899:25  Unique         2.82, 2.87 A)
 &rst
  ixpk= 899, nxpk= 25, iat= 279, 281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HN          118 GLN  HG-         5.50    (#    900:25  Unique         3.99, 4.60 A)
 &rst
  ixpk= 900, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1770,1771,
 &end
#
#  100 GLN  HE2+        100 GLN  HG+         3.50    (#    901:25  Unique         2.22, 3.42 A)
 &rst
  ixpk= 901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#   22 ALA  MB           18 ALA  HA          4.50    (#    902:25  Unique         4.35, 5.31 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 352, 353, 354,
 &end
#
#  123 VAL  HB           18 ALA  HA          5.50    (#    903:25  Unique         4.32, 4.66 A)
 &rst
  ixpk= 903, nxpk= 25, iat=1861, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HB           18 ALA  HA          4.50    (#    904:25  Unique         4.40, 4.48 A)
 &rst
  ixpk= 904, nxpk= 25, iat=1784, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:905     18 ALA  HA          5.50    (#    905:25  Single Ambig)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1798, 102, 103,
 &end
#
#   21 PHE  HB-          18 ALA  HA          3.50    (#    906:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 906, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB+          18 ALA  HA          4.50    (#    907:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#    0 AMB  25-2:908     18 ALA  HA          4.50    (#    908:25  Single Ambig)
 &rst
  ixpk= 908, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 281, 350,
 &end
#
#   21 PHE  HD           18 ALA  HA          3.50    (#    909:25  Unique         2.82, 4.73 A)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 336, 344,
 &end
#
#   18 ALA  HN           18 ALA  HA          3.50    (#    910:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 910, nxpk= 25, iat= 296, 298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HN           18 ALA  HA          4.50    (#    911:25  Unique         3.23, 3.35 A)
 &rst
  ixpk= 911, nxpk= 25, iat= 328, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ASP  HN           55 ILE  QG2         3.50    (#    912:25  Unique         2.08, 3.01 A)
 &rst
  ixpk= 912, nxpk= 25, iat= 833,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 820, 821, 822,
 &end
#
#   19 GLU  HN           18 ALA  MB          3.50    (#    913:25  Unique         2.64, 3.59 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 300, 301, 302,
 &end
#
#   18 ALA  HN           18 ALA  MB          3.50    (#    914:25  Unique         2.34, 2.88 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 296,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 300, 301, 302,
 &end
#
#    6 PHE  HE           18 ALA  MB          3.50    (#    916:25  Unique         2.73, 4.85 A)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 108, 112,
 igr2= 300, 301, 302,
 &end
#
#   99 TRP  HZ3          18 ALA  MB          3.50    (#    917:25  Unique         2.36, 3.54 A)
 &rst
  ixpk= 917, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 300, 301, 302,
 &end
#
#   55 ILE  HA           55 ILE  QG2         3.50    (#    919:25  Unique         2.65, 3.36 A)
 &rst
  ixpk= 919, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 820, 821, 822,
 &end
#
#   15 SER  HA           18 ALA  MB          2.80    (#    920:25  Unique         2.47, 3.35 A)
 &rst
  ixpk= 920, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 300, 301, 302,
 &end
#
#   20 GLY  HA+          55 ILE  QG2         3.50    (#    921:25  Unique         2.29, 3.63 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 820, 821, 822,
 &end
#
#   56 ASP  HB+          55 ILE  QG2         4.50    (#    922:25  Unique         3.99, 5.31 A)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 837, 838,
 igr2= 820, 821, 822,
 &end
#
#    6 PHE  HB-          18 ALA  MB          3.50    (#    923:25  Unique         2.94, 4.68 A)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 102, 103,
 igr2= 300, 301, 302,
 &end
#
#    0 AMB  25-2:924      0 AMB  25-1:924    3.50    (#    924:25  Double Ambig)
 &rst
  ixpk= 924, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 283, 284, 313, 314,
 igr2= 300, 301, 302, 820, 821, 822,
 &end
#
#   50 MET  HB-          55 ILE  QG2         3.50    (#    925:25  Unique         2.26, 3.75 A)
 &rst
  ixpk= 925, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 748, 749,
 igr2= 820, 821, 822,
 &end
#
#   18 ALA  MB           19 GLU  HA          5.50    (#    927:25  Unique         4.20, 5.00 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 300, 301, 302,
 &end
#
#   32 VAL  MGY          19 GLU  HA          3.50    (#    928:25  Unique         2.04, 4.11 A)
 &rst
  ixpk= 928, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HD           19 GLU  HA          4.50    (#    929:25  Unique         3.07, 4.50 A)
 &rst
  ixpk= 929, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#    6 PHE  HE           19 GLU  HA          3.50    (#    930:25  Unique         2.56, 4.45 A)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 108, 112,
 &end
#
#    0 AMB  25-2:931     19 GLU  HA          3.50    (#    931:25  Single Ambig)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 306, 321,
 &end
#
#   23 LYS  HN           19 GLU  HA          5.50    (#    932:25  Unique         3.35, 3.64 A)
 &rst
  ixpk= 932, nxpk= 25, iat= 358, 308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           19 GLU  HA          5.50    (#    933:25  Unique         3.07, 3.35 A)
 &rst
  ixpk= 933, nxpk= 25, iat= 348, 308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 VAL  MGX          19 GLU  HG+         3.50    (#    934:25  Unique         2.10, 4.33 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 313, 314,
 &end
#
#   19 GLU  HA           19 GLU  HG+         3.50    (#    935:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 935, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 313, 314,
 &end
#
#    0 AMB  25-2:936      0 AMB  25-1:936    4.50    (#    936:25  Double Ambig)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 321, 306,
 igr2= 313, 314, 313, 314,
 &end
#
#   21 PHE  HN           20 GLY  HA-         4.50    (#    937:25  Unique         2.68, 3.18 A)
 &rst
  ixpk= 937, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 323, 324,
 &end
#
#   21 PHE  HN           20 GLY  HA+         4.50    (#    938:25  Unique         2.68, 3.18 A)
 &rst
  ixpk= 938, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 323, 324,
 &end
#
#   20 GLY  HN           20 GLY  HA+         2.80    (#    939:25  Unique         2.25, 2.57 A)
 &rst
  ixpk= 939, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 323, 324,
 &end
#
#   20 GLY  HN           20 GLY  HA-         2.80    (#    940:25  Unique         2.25, 2.57 A)
 &rst
  ixpk= 940, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 323, 324,
 &end
#
#   23 LYS  HE+          20 GLY  HA-         4.50    (#    941:25  Unique         1.99, 4.21 A)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 371, 372,
 igr2= 323, 324,
 &end
#
#   23 LYS  HE+          20 GLY  HA+         5.50    (#    942:25  Unique         1.99, 4.21 A)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 371, 372,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:943     20 GLY  HA-         4.50    (#    943:25  Single Ambig)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 313, 314, 362, 363,
 igr2= 323, 324,
 &end
#
#   23 LYS  HG+          20 GLY  HA-         3.50    (#    944:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 365, 366,
 igr2= 323, 324,
 &end
#
#   23 LYS  HG+          20 GLY  HA+         4.50    (#    945:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 365, 366,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:946      0 AMB  25-1:946    4.50    (#    946:25  Double Ambig)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 313, 314, 362, 363,
 igr2= 323, 324, 323, 324,
 &end
#
#   19 GLU  HB+          20 GLY  HA+         5.50    (#    947:25  Unique         4.06, 5.18 A)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 310, 311,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:948     20 GLY  HA-         4.50    (#    948:25  Single Ambig)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 310, 311, 748, 749,
 igr2= 323, 324,
 &end
#
#   23 LYS  HG-          20 GLY  HA-         4.50    (#    949:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 365, 366,
 igr2= 323, 324,
 &end
#
#   57 ILE  QG2          20 GLY  HA-         2.80    (#    950:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 851, 852, 853,
 igr2= 323, 324,
 &end
#
#   55 ILE  QG2          20 GLY  HA+         3.50    (#    951:25  Unique         2.29, 3.63 A)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 323, 324,
 &end
#
#   55 ILE  QG2          20 GLY  HA-         3.50    (#    952:25  Unique         2.29, 3.63 A)
 &rst
  ixpk= 952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 323, 324,
 &end
#
#   55 ILE  QD1          21 PHE  HA          3.50    (#    953:25  Unique         2.90, 3.62 A)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QG2          21 PHE  HA          5.50    (#    954:25  Unique         4.62, 6.05 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 820, 821, 822,
 &end
#
#   17 MET  ME           21 PHE  HA          4.50    (#    955:25  Unique         3.54, 4.91 A)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 290, 291, 292,
 &end
#
#    0 AMB  25-2:956     21 PHE  HA          3.50    (#    956:25  Single Ambig)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 &end
#
#    0 AMB  25-2:957     21 PHE  HA          3.50    (#    957:25  Single Ambig)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,
 &end
#
#   22 ALA  MB           21 PHE  HA          5.50    (#    958:25  Unique         5.75, 6.09 A)
 &rst
  ixpk= 958, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 352, 353, 354,
 &end
#
#   25 LEU  HG           21 PHE  HA          3.50    (#    959:25  Unique         3.59, 3.63 A)
 &rst
  ixpk= 959, nxpk= 25, iat= 401, 330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HB-          21 PHE  HA          3.50    (#    960:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB+          21 PHE  HA          3.50    (#    961:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 961, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HE           21 PHE  HA          5.50    (#    963:25  Unique         4.44, 5.30 A)
 &rst
  ixpk= 963, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 338, 342,
 &end
#
#   21 PHE  HN           21 PHE  HA          3.50    (#    965:25  Unique         2.91, 2.92 A)
 &rst
  ixpk= 965, nxpk= 25, iat= 328, 330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:966     21 PHE  HA          4.50    (#    966:25  Single Ambig)
 &rst
  ixpk= 966, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 394, 358,
 &end
#
#   22 ALA  HN           21 PHE  HA          5.50    (#    967:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 967, nxpk= 25, iat= 348, 330, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           21 PHE  HB+         4.50    (#    968:25  Unique         2.80, 3.35 A)
 &rst
  ixpk= 968, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   22 ALA  HN           21 PHE  HB-         4.50    (#    969:25  Unique         2.80, 3.35 A)
 &rst
  ixpk= 969, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   21 PHE  HN           21 PHE  HB+         4.50    (#    970:25  Unique         2.29, 2.98 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   21 PHE  HN           21 PHE  HB-         3.50    (#    971:25  Unique         2.29, 2.98 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   21 PHE  HD           21 PHE  HB+         3.50    (#    972:25  Unique         2.36, 3.12 A)
 &rst
  ixpk= 972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 336, 344,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:973      0 AMB  25-1:973    2.80    (#    973:25  Double Ambig)
 &rst
  ixpk= 973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1666,1674,1074,1083,
 igr2=1662,1663,1070,1071,
 &end
#
#   21 PHE  HA           21 PHE  HB+         3.50    (#    974:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 974, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   21 PHE  HA           21 PHE  HB-         3.50    (#    975:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   18 ALA  HA           21 PHE  HB+         5.50    (#    976:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 976, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 332, 333,
 &end
#
#   18 ALA  HA           21 PHE  HB-         3.50    (#    977:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 977, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   22 ALA  MB           21 PHE  HB+         4.50    (#    978:25  Unique         4.33, 5.53 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 352, 353, 354,
 igr2= 332, 333,
 &end
#
#  123 VAL  MGY          21 PHE  HB+         3.50    (#    979:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 332, 333,
 &end
#
#  123 VAL  MGY          21 PHE  HB-         3.50    (#    980:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:981     21 PHE  HB-         2.80    (#    981:25  Single Ambig)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 igr2= 332, 333,
 &end
#
#   32 VAL  MGX          22 ALA  HA          4.50    (#    982:25  Unique         4.01, 5.39 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#  123 VAL  MGY          22 ALA  HA          4.50    (#    983:25  Unique         2.29, 3.86 A)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   49 MET  HB+          46 ALA  HA          2.80    (#    984:25  Unique         2.09, 3.17 A)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 731, 732,
 &end
#
#   50 MET  ME           46 ALA  HA          2.80    (#    985:25  Unique         2.10, 3.35 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 755, 756, 757,
 &end
#
#   49 MET  HG+          46 ALA  HA          3.50    (#    986:25  Unique         3.16, 3.80 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 734, 735,
 &end
#
#   50 MET  HG+          46 ALA  HA          4.50    (#    987:25  Unique         3.18, 4.49 A)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 751, 752,
 &end
#
#    0 AMB  25-2:988      0 AMB  25-1:988    4.50    (#    988:25  Double Ambig)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1662,1663, 332, 333,
 igr2= 690, 350,
 &end
#
#    0 AMB  25-2:989      0 AMB  25-1:989    4.50    (#    989:25  Double Ambig)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 415, 416, 308,1660,
 igr2= 350, 690,
 &end
#
#    6 PHE  HZ           22 ALA  HA          5.50    (#    990:25  Unique         4.78, 4.95 A)
 &rst
  ixpk= 990, nxpk= 25, iat= 110, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HN           46 ALA  HA          3.50    (#    991:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 991, nxpk= 25, iat= 688, 690, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           22 ALA  HA          3.50    (#    992:25  Unique         3.01, 3.19 A)
 &rst
  ixpk= 992, nxpk= 25, iat= 413, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:993     22 ALA  HA          3.50    (#    993:25  Single Ambig)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 394, 358,
 &end
#
#   22 ALA  HN           22 ALA  HA          3.50    (#    994:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 994, nxpk= 25, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 LYS  HN           22 ALA  MB          3.50    (#    995:25  Unique         2.71, 3.59 A)
 &rst
  ixpk= 995, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:996     22 ALA  MB          5.50    (#    996:25  Single Ambig)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 413, 306, 321,
 igr2= 352, 353, 354,
 &end
#
#    6 PHE  HZ           22 ALA  MB          2.80    (#    997:25  Unique         2.64, 3.13 A)
 &rst
  ixpk= 997, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:998     22 ALA  MB          4.50    (#    998:25  Single Ambig)
 &rst
  ixpk= 998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 415, 416, 360,
 igr2= 352, 353, 354,
 &end
#
#   19 GLU  HA           22 ALA  MB          3.50    (#    999:25  Unique         2.20, 3.38 A)
 &rst
  ixpk= 999, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 352, 353, 354,
 &end
#
#   21 PHE  HB-          22 ALA  MB          5.50    (#   1000:25  Unique         4.33, 5.53 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 332, 333,
 igr2= 352, 353, 354,
 &end
#
#   21 PHE  HB+          22 ALA  MB          5.50    (#   1001:25  Unique         4.33, 5.53 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 332, 333,
 igr2= 352, 353, 354,
 &end
#
#  123 VAL  HB           22 ALA  MB          5.50    (#   1002:25  Unique         4.63, 5.78 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:1003    22 ALA  MB          3.50    (#   1003:25  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 362, 363,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:1004    22 ALA  MB          4.50    (#   1004:25  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 310, 311,1925,
 igr2= 352, 353, 354,
 &end
#
#   32 VAL  MGY          23 LYS  HA          2.80    (#   1006:25  Unique         2.17, 3.89 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   26 GLY  HA-          23 LYS  HA          5.50    (#   1008:25  Unique         3.81, 5.01 A)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 415, 416,
 &end
#
#  112 PHE  HD          109 LEU  HA          3.50    (#   1009:25  Unique         2.74, 4.27 A)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#   24 THR  HN           23 LYS  HA          3.50    (#   1010:25  Unique         3.48, 3.51 A)
 &rst
  ixpk= 1010, nxpk= 25, iat= 380, 360, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           23 LYS  HA          5.50    (#   1011:25  Unique         3.47, 3.78 A)
 &rst
  ixpk= 1011, nxpk= 25, iat= 413, 360, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 LYS  HN           23 LYS  HB+         3.50    (#   1012:25  Unique         2.37, 3.06 A)
 &rst
  ixpk= 1012, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 362, 363,
 &end
#
#   23 LYS  HN           23 LYS  HB-         2.80    (#   1013:25  Unique         2.37, 3.06 A)
 &rst
  ixpk= 1013, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 362, 363,
 &end
#
#   23 LYS  HA           23 LYS  HB-         2.80    (#   1014:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 1014, nxpk= 25, iat= 360,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 362, 363,
 &end
#
#   23 LYS  HG-          23 LYS  HB-         3.50    (#   1015:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 365, 366,
 igr2= 362, 363,
 &end
#
#   23 LYS  HE+          23 LYS  HG+         3.50    (#   1017:25  Unique         2.40, 2.99 A)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 371, 372,
 igr2= 365, 366,
 &end
#
#    0 AMB  25-2:1018     0 AMB  25-1:1018   4.50    (#   1018:25  Double Ambig)
 &rst
  ixpk= 1018, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 382, 360, 384,
 igr2= 365, 366, 365, 366, 365, 366,
 &end
#
#   20 GLY  HA-          23 LYS  HG+         5.50    (#   1019:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 323, 324,
 igr2= 365, 366,
 &end
#
#   24 THR  HN           23 LYS  HG+         5.50    (#   1020:25  Unique         2.42, 2.95 A)
 &rst
  ixpk= 1020, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 365, 366,
 &end
#
#   24 THR  HN           23 LYS  HG-         4.50    (#   1021:25  Unique         2.42, 2.95 A)
 &rst
  ixpk= 1021, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#   23 LYS  HN           23 LYS  HG+         4.50    (#   1022:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#   23 LYS  HN           23 LYS  HG-         4.50    (#   1023:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#   25 LEU  HN           25 LEU  HA          2.80    (#   1024:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1024, nxpk= 25, iat= 394, 396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HN           25 LEU  HA          3.50    (#   1025:25  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1025, nxpk= 25, iat= 413, 396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 ALA  HN           25 LEU  HA          5.50    (#   1026:25  Unique         3.55, 3.75 A)
 &rst
  ixpk= 1026, nxpk= 25, iat= 420, 396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  QD1          25 LEU  HB+         2.80    (#   1027:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 1027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1934,1935,1936,
 igr2= 398, 399,
 &end
#
#   24 THR  MG2          25 LEU  HB+         3.50    (#   1028:25  Unique         3.97, 5.37 A)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 386, 387, 388,
 igr2= 398, 399,
 &end
#
#   25 LEU  HG           25 LEU  HB+         2.80    (#   1029:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 1029, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#   22 ALA  HA           25 LEU  HB+         4.50    (#   1030:25  Unique         2.70, 3.67 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 398, 399,
 &end
#
#   25 LEU  HA           25 LEU  HB+         2.80    (#   1031:25  Unique         2.55, 2.78 A)
 &rst
  ixpk= 1031, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#   26 GLY  HN           25 LEU  HB+         3.50    (#   1032:25  Unique         2.55, 3.15 A)
 &rst
  ixpk= 1032, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 398, 399,
 &end
#
#   25 LEU  HN           25 LEU  HB+         2.80    (#   1033:25  Unique         2.22, 2.90 A)
 &rst
  ixpk= 1033, nxpk= 25, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#   43 HIS  HD2          44 PRO  HG+         5.50    (#   1034:25  Unique         4.96, 6.29 A)
 &rst
  ixpk= 1034, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 664, 665,
 &end
#
#    0 AMB  25-2:1035    25 LEU  HG          2.80    (#   1035:25  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 396, 330,
 &end
#
#   44 PRO  HD+          44 PRO  HG+         2.80    (#   1036:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   44 PRO  HD+          44 PRO  HG+         2.80    (#   1037:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   44 PRO  HD-          44 PRO  HG+         2.80    (#   1038:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#    0 AMB  25-2:1039    25 LEU  HG          3.50    (#   1039:25  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810, 332, 333,
 &end
#
#   24 THR  MG2          25 LEU  HG          5.50    (#   1040:25  Unique         2.15, 3.26 A)
 &rst
  ixpk= 1040, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 386, 387, 388,
 &end
#
#   62 SER  HN           37 LEU  MDY         3.50    (#   1041:25  Unique         1.75, 4.40 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   21 PHE  HD           25 LEU  MDX         4.50    (#   1042:25  Unique         4.87, 6.84 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 336, 344,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   25 LEU  HA           25 LEU  MDX         4.50    (#   1044:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 1044, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   12 SER  HB+          37 LEU  MDY         3.50    (#   1046:25  Unique         2.12, 5.44 A)
 &rst
  ixpk= 1046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 209, 210,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   21 PHE  HB-          25 LEU  MDX         3.50    (#   1049:25  Unique         2.71, 5.60 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  112 PHE  HB+         109 LEU  MDX         4.50    (#   1050:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1662,1663,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:1051    37 LEU  MDY         5.50    (#   1051:25  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 917, 918, 585, 586,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   52 GLU  HG+         109 LEU  MDX         4.50    (#   1052:25  Unique         5.31, 7.42 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 783, 784,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  124 GLU  HG+          25 LEU  MDX         3.50    (#   1053:25  Unique         3.02, 5.35 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1880,1881,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   21 PHE  HN           25 LEU  MDX         5.50    (#   1054:25  Unique         5.88, 7.91 A)
 &rst
  ixpk= 1054, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#    6 PHE  HZ          126 LEU  MDX         4.50    (#   1056:25  Unique         2.28, 3.74 A)
 &rst
  ixpk= 1056, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   30 ILE  HG1-         26 GLY  HA+         3.50    (#   1057:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:1058    26 GLY  HA-         2.80    (#   1058:25  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 469, 470,1931,1932,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB-          26 GLY  HA+         3.50    (#   1060:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1060, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   30 ILE  HG1+         26 GLY  HA-         3.50    (#   1061:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB-          26 GLY  HA-         3.50    (#   1062:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB+          26 GLY  HA-         3.50    (#   1063:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB+          26 GLY  HA+         3.50    (#   1064:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   27 ALA  HN           26 GLY  HA+         3.50    (#   1065:25  Unique         3.10, 3.30 A)
 &rst
  ixpk= 1065, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 415, 416,
 &end
#
#   27 ALA  HN           26 GLY  HA-         4.50    (#   1066:25  Unique         3.10, 3.30 A)
 &rst
  ixpk= 1066, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 415, 416,
 &end
#
#   30 ILE  HN           26 GLY  HA+         4.50    (#   1067:25  Unique         3.57, 3.98 A)
 &rst
  ixpk= 1067, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 415, 416,
 &end
#
#   30 ILE  HN           26 GLY  HA-         4.50    (#   1068:25  Unique         3.57, 3.98 A)
 &rst
  ixpk= 1068, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 415, 416,
 &end
#
#   29 LYS  HN           26 GLY  HA+         5.50    (#   1069:25  Unique         4.16, 4.39 A)
 &rst
  ixpk= 1069, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 415, 416,
 &end
#
#   28 GLY  HN           27 ALA  HA          3.50    (#   1070:25  Unique         2.13, 2.15 A)
 &rst
  ixpk= 1070, nxpk= 25, iat= 430, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 LYS  HN           27 ALA  HA          3.50    (#   1071:25  Unique         3.53, 3.56 A)
 &rst
  ixpk= 1071, nxpk= 25, iat= 437, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 GLY  HN           28 GLY  HA-         4.50    (#   1074:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1074, nxpk= 25, iat= 430,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 432, 433,
 &end
#
#   29 LYS  HN           28 GLY  HA-         4.50    (#   1075:25  Unique         3.19, 3.32 A)
 &rst
  ixpk= 1075, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 432, 433,
 &end
#
#    0 AMB  25-2:1076     0 AMB  25-1:1076   3.50    (#   1076:25  Double Ambig)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1580, 437,
 igr2=1575,1576, 432, 433,
 &end
#
#   29 LYS  HG+          28 GLY  HA+         4.50    (#   1080:25  Unique         3.70, 5.20 A)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 444, 445,
 igr2= 432, 433,
 &end
#
#   27 ALA  MB           28 GLY  HA+         5.50    (#   1081:25  Unique         4.36, 5.33 A)
 &rst
  ixpk= 1081, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 424, 425, 426,
 igr2= 432, 433,
 &end
#
#   30 ILE  QG2          29 LYS  HA          4.50    (#   1082:25  Unique         4.35, 5.26 A)
 &rst
  ixpk= 1082, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 465, 466, 467,
 &end
#
#    1 MET  HG+          29 LYS  HA          3.50    (#   1083:25  Unique         2.93, 3.96 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#   30 ILE  HN           29 LYS  HA          4.50    (#   1084:25  Unique         3.55, 3.57 A)
 &rst
  ixpk= 1084, nxpk= 25, iat= 459, 439, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HN           29 LYS  HA          3.50    (#   1085:25  Unique         2.95, 2.95 A)
 &rst
  ixpk= 1085, nxpk= 25, iat= 437, 439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HN           75 VAL  HB          4.50    (#   1086:25  Unique         4.06, 4.23 A)
 &rst
  ixpk= 1086, nxpk= 25, iat=  81,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HN           29 LYS  HB+         2.80    (#   1087:25  Unique         2.36, 3.03 A)
 &rst
  ixpk= 1087, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 441, 442,
 &end
#
#   29 LYS  HN           29 LYS  HB-         3.50    (#   1088:25  Unique         2.36, 3.03 A)
 &rst
  ixpk= 1088, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   75 VAL  HN           75 VAL  HB          3.50    (#   1089:25  Unique         2.55, 2.62 A)
 &rst
  ixpk= 1089, nxpk= 25, iat=1099,1103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 ILE  HN           29 LYS  HB+         4.50    (#   1090:25  Unique         2.43, 3.13 A)
 &rst
  ixpk= 1090, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 441, 442,
 &end
#
#   30 ILE  HN           29 LYS  HB-         3.50    (#   1091:25  Unique         2.43, 3.13 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   29 LYS  HA           29 LYS  HB-         3.50    (#   1092:25  Unique         2.48, 2.76 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   26 GLY  HA+          29 LYS  HB+         3.50    (#   1093:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 415, 416,
 igr2= 441, 442,
 &end
#
#   28 GLY  HA+          29 LYS  HB-         4.50    (#   1094:25  Unique         5.26, 5.87 A)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 432, 433,
 igr2= 441, 442,
 &end
#
#   26 GLY  HA-          29 LYS  HB-         5.50    (#   1097:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 415, 416,
 igr2= 441, 442,
 &end
#
#    2 LYS  HE+          29 LYS  HB+         4.50    (#   1098:25  Unique         3.54, 4.90 A)
 &rst
  ixpk= 1098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  34,  35,
 igr2= 441, 442,
 &end
#
#    2 LYS  HE+          29 LYS  HB-         5.50    (#   1099:25  Unique         3.54, 4.90 A)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  34,  35,
 igr2= 441, 442,
 &end
#
#    4 VAL  MGX          75 VAL  HB          3.50    (#   1100:25  Unique         2.15, 3.60 A)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   77 ILE  QD1          97 GLU  HB-         3.50    (#   1101:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1144,1145,1146,
 igr2=1437,1438,
 &end
#
#   29 LYS  HA           29 LYS  HG+         2.80    (#   1102:25  Unique         2.92, 3.36 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 444, 445,
 &end
#
#   29 LYS  HA           29 LYS  HD-         4.50    (#   1103:25  Unique         2.14, 2.64 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 447, 448,
 &end
#
#  126 LEU  HA          129 LYS  HD+         3.50    (#   1104:25  Unique         2.28, 3.19 A)
 &rst
  ixpk= 1104, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1960,1961,
 &end
#
#    0 AMB  25-2:1105    30 ILE  HA          4.50    (#   1105:25  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  71,  72,  73,  75,  76,  77,1985,1986,1987,
 &end
#
#   30 ILE  HG1-         30 ILE  HA          5.50    (#   1106:25  Unique         3.67, 3.88 A)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 469, 470,
 &end
#
#   31 ALA  MB           30 ILE  HA          4.50    (#   1107:25  Unique         4.36, 4.95 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 482, 483, 484,
 &end
#
#   29 LYS  HB+          30 ILE  HA          4.50    (#   1108:25  Unique         4.77, 4.85 A)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 441, 442,
 &end
#
#    1 MET  HG-          30 ILE  HA          3.50    (#   1109:25  Unique         2.46, 3.61 A)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#   30 ILE  HN           30 ILE  HA          4.50    (#   1110:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1110, nxpk= 25, iat= 459, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    2 LYS  HN           30 ILE  HA          4.50    (#   1111:25  Unique         2.74, 3.11 A)
 &rst
  ixpk= 1111, nxpk= 25, iat=  21, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HN           30 ILE  HB          4.50    (#   1112:25  Unique         3.77, 3.83 A)
 &rst
  ixpk= 1112, nxpk= 25, iat= 459, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HG1-         30 ILE  HB          3.50    (#   1113:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1113, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 469, 470,
 &end
#
#    0 AMB  25-2:1114    30 ILE  HB          2.80    (#   1114:25  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  71,  72,  73,  75,  76,  77,1985,1986,1987,
 &end
#
#   30 ILE  QG2          30 ILE  HB          2.80    (#   1115:25  Unique         2.29, 2.65 A)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 465, 466, 467,
 &end
#
#   30 ILE  QD1          30 ILE  HG1-        2.80    (#   1116:25  Unique         2.34, 2.66 A)
 &rst
  ixpk= 1116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 472, 473, 474,
 igr2= 469, 470,
 &end
#
#  127 ILE  QD1           0 AMB  25-1:1117   4.50    (#   1117:25  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1934,1935,1936,
 igr2= 469, 470,1982,1983,
 &end
#
#    0 AMB  25-2:1118    30 ILE  HG1-        3.50    (#   1118:25  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 463, 441, 442,
 igr2= 469, 470,
 &end
#
#   26 GLY  HA-          30 ILE  HG1-        3.50    (#   1119:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 415, 416,
 igr2= 469, 470,
 &end
#
#  130 ILE  HA          130 ILE  HG1-        4.50    (#   1121:25  Unique         3.49, 3.70 A)
 &rst
  ixpk= 1121, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1982,1983,
 &end
#
#   30 ILE  HN           30 ILE  HG1-        3.50    (#   1123:25  Unique         2.43, 2.85 A)
 &rst
  ixpk= 1123, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 469, 470,
 &end
#
#    4 VAL  HN            0 AMB  25-1:1124   4.50    (#   1124:25  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  50,  51, 469, 470,
 &end
#
#    0 AMB  25-2:1125    30 ILE  QD1         4.50    (#   1125:25  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 358, 394,
 igr2= 472, 473, 474,
 &end
#
#   26 GLY  HN           30 ILE  QD1         4.50    (#   1126:25  Unique         3.62, 4.79 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 472, 473, 474,
 &end
#
#   30 ILE  HN           30 ILE  QD1         5.50    (#   1127:25  Unique         3.12, 4.60 A)
 &rst
  ixpk= 1127, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 472, 473, 474,
 &end
#
#   30 ILE  HA           30 ILE  QD1         4.50    (#   1128:25  Unique         4.22, 4.97 A)
 &rst
  ixpk= 1128, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 472, 473, 474,
 &end
#
#   58 SER  HA           47 ILE  QD1         3.50    (#   1129:25  Unique         2.09, 3.41 A)
 &rst
  ixpk= 1129, nxpk= 25, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:1130    47 ILE  QD1         2.80    (#   1130:25  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 868, 869, 661, 662,
 igr2= 711, 712, 713,
 &end
#
#   47 ILE  HA           47 ILE  QD1         3.50    (#   1131:25  Unique         2.67, 3.59 A)
 &rst
  ixpk= 1131, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:1132    47 ILE  QD1         4.50    (#   1132:25  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 667, 668, 886, 887,
 igr2= 711, 712, 713,
 &end
#
#   30 ILE  HG1-         30 ILE  QG2         2.80    (#   1133:25  Unique         2.33, 3.31 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 469, 470,
 igr2= 465, 466, 467,
 &end
#
#   25 LEU  HG           24 THR  MG2         2.80    (#   1134:25  Unique         2.15, 3.26 A)
 &rst
  ixpk= 1134, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 386, 387, 388,
 &end
#
#    3 LYS  HA           31 ALA  MB          2.80    (#   1135:25  Unique         2.18, 3.30 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#    4 VAL  HN           32 VAL  HA          3.50    (#   1136:25  Unique         2.48, 2.82 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  65, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1137    32 VAL  HA          4.50    (#   1137:25  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  83, 480,  67,
 &end
#
#   32 VAL  HB           32 VAL  HA          3.50    (#   1138:25  Unique         2.38, 2.98 A)
 &rst
  ixpk= 1138, nxpk= 25, iat= 492, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HB           32 VAL  HA          3.50    (#   1139:25  Unique         2.26, 2.56 A)
 &rst
  ixpk= 1139, nxpk= 25, iat=  69, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 ALA  MB           32 VAL  HA          5.50    (#   1140:25  Unique         4.61, 5.22 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 482, 483, 484,
 &end
#
#   32 VAL  MGY          32 VAL  HA          3.50    (#   1141:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    4 VAL  MGY          32 VAL  HA          4.50    (#   1142:25  Unique         3.39, 4.80 A)
 &rst
  ixpk= 1142, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGX          32 VAL  HA          4.50    (#   1143:25  Unique         3.39, 4.80 A)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1144    32 VAL  HB          4.50    (#   1144:25  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 308, 415, 416,
 &end
#
#   32 VAL  HA           32 VAL  HB          3.50    (#   1145:25  Unique         2.38, 2.98 A)
 &rst
  ixpk= 1145, nxpk= 25, iat= 490, 492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1146    32 VAL  HB          4.50    (#   1146:25  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480,  67,
 &end
#
#    6 PHE  HE           32 VAL  HB          4.50    (#   1147:25  Unique         4.54, 6.55 A)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 108, 112,
 &end
#
#   33 THR  HN           32 VAL  MGX         3.50    (#   1148:25  Unique         2.32, 4.38 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HE           32 VAL  MGX         3.50    (#   1149:25  Unique         2.04, 5.50 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 108, 112,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HD           32 VAL  MGX         4.50    (#   1150:25  Unique         2.40, 6.55 A)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 106, 114,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HA           32 VAL  MGX         3.50    (#   1151:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1151, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  HA           32 VAL  MGX         4.50    (#   1152:25  Unique         4.01, 5.39 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    4 VAL  MGX          32 VAL  MGX         4.50    (#   1153:25  Unique         3.12, 5.83 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   21 PHE  HB-         123 VAL  MGX         3.50    (#   1155:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   22 ALA  HA          123 VAL  MGX         2.80    (#   1156:25  Unique         2.29, 3.86 A)
 &rst
  ixpk= 1156, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  HA          123 VAL  MGX         5.50    (#   1157:25  Unique         5.97, 7.71 A)
 &rst
  ixpk= 1157, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   23 LYS  HA           32 VAL  MGY         3.50    (#   1158:25  Unique         2.17, 3.89 A)
 &rst
  ixpk= 1158, nxpk= 25, iat= 360,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   21 PHE  HA          123 VAL  MGX         4.50    (#   1159:25  Unique         4.16, 5.76 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:1160    32 VAL  MGY         5.50    (#   1160:25  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  83,  67,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HA           32 VAL  MGY         3.50    (#   1161:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1161, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HE            0 AMB  25-1:1162   3.50    (#   1162:25  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 108, 112,
 igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 &end
#
#    0 AMB  25-2:1163     0 AMB  25-1:1163   4.50    (#   1163:25  Double Ambig)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 394,  81,
 igr2=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
       499, 500,
 &end
#
#   22 ALA  HN            0 AMB  25-1:1164   4.50    (#   1164:25  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr2=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
       499, 500,
 &end
#
#   33 THR  HN           33 THR  HA          3.50    (#   1165:25  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 504, 506, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HN           92 THR  HA          3.50    (#   1166:25  Unique         2.49, 3.26 A)
 &rst
  ixpk= 1166, nxpk= 25, iat=1362,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           92 THR  HA          3.50    (#   1167:25  Unique         2.78, 2.88 A)
 &rst
  ixpk= 1167, nxpk= 25, iat=1348,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1168    33 THR  HA          2.80    (#   1168:25  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 508, 522, 523,
 &end
#
#    5 MET  ME           33 THR  HB          3.50    (#   1170:25  Unique         2.41, 3.27 A)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  92,  93,  94,
 &end
#
#   33 THR  HA           33 THR  HB          3.50    (#   1172:25  Unique         2.93, 2.96 A)
 &rst
  ixpk= 1172, nxpk= 25, iat= 506, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HA           33 THR  HB          4.50    (#   1174:25  Unique         2.58, 2.88 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  83, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 TYR  HD           33 THR  HB          4.50    (#   1175:25  Unique         4.17, 5.79 A)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1074,1083,
 &end
#
#   33 THR  HN           33 THR  HB          3.50    (#   1176:25  Unique         2.77, 3.01 A)
 &rst
  ixpk= 1176, nxpk= 25, iat= 504, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 SER  HN           33 THR  HB          3.50    (#   1177:25  Unique         3.45, 3.52 A)
 &rst
  ixpk= 1177, nxpk= 25, iat= 518, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1179     0 AMB  25-1:1179   3.50    (#   1179:25  Double Ambig)
 &rst
  ixpk= 1179, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1592,1593,1076,1081,
 igr2=1648,1649,1650,1652,1653,1654, 510, 511, 512,
 &end
#
#   21 PHE  HB+         123 VAL  MGX         3.50    (#   1180:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   16 GLN  HB-          34 SER  HA          5.50    (#   1182:25  Unique         5.50, 6.38 A)
 &rst
  ixpk= 1182, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 266, 267,
 &end
#
#    6 PHE  HB-          34 SER  HA          3.50    (#   1183:25  Unique         2.53, 3.51 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#   34 SER  HB-          34 SER  HA          3.50    (#   1184:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 523,
 &end
#
#   34 SER  HB+          34 SER  HA          2.80    (#   1185:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 522, 523,
 &end
#
#    5 MET  HA           34 SER  HA          4.50    (#   1187:25  Unique         3.63, 3.93 A)
 &rst
  ixpk= 1187, nxpk= 25, iat=  83, 520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN           34 SER  HA          3.50    (#   1189:25  Unique         1.98, 2.35 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  98, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 SER  HN           34 SER  HA          3.50    (#   1190:25  Unique         2.91, 2.95 A)
 &rst
  ixpk= 1190, nxpk= 25, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 CYS  HN           34 SER  HA          2.80    (#   1191:25  Unique         2.15, 2.33 A)
 &rst
  ixpk= 1191, nxpk= 25, iat= 529, 520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 SER  HA           34 SER  HB+         4.50    (#   1192:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1192, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#   34 SER  HA           34 SER  HB-         4.50    (#   1193:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1193, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#    0 AMB  25-2:1195     0 AMB  25-1:1195   5.50    (#   1195:25  Double Ambig)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 522, 523, 253, 522, 523,
 igr2= 531, 100,
 &end
#
#   35 CYS  HA           35 CYS  HB+         3.50    (#   1196:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 1196, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 533, 534,
 &end
#
#   35 CYS  HA           35 CYS  HB-         3.50    (#   1197:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 1197, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 533, 534,
 &end
#
#   60 GLN  HE2-         16 GLN  HA          4.50    (#   1201:25  Unique         2.38, 3.32 A)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   37 LEU  HN           37 LEU  HA          3.50    (#   1202:25  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 547, 549, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HN           37 LEU  HA          4.50    (#   1204:25  Unique         2.06, 2.25 A)
 &rst
  ixpk= 1204, nxpk= 25, iat= 566, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HE2+         16 GLN  HA          3.50    (#   1205:25  Unique         2.38, 3.32 A)
 &rst
  ixpk= 1205, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 894, 895,
 &end
#
#   38 GLU  HN           37 LEU  HB+         4.50    (#   1206:25  Unique         2.41, 3.99 A)
 &rst
  ixpk= 1206, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   38 GLU  HN           37 LEU  HB-         4.50    (#   1207:25  Unique         2.41, 3.99 A)
 &rst
  ixpk= 1207, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   37 LEU  HN           37 LEU  HB+         3.50    (#   1208:25  Unique         2.28, 3.23 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  HN           37 LEU  HB-         4.50    (#   1209:25  Unique         2.28, 3.23 A)
 &rst
  ixpk= 1209, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   37 LEU  HA           37 LEU  HB+         3.50    (#   1210:25  Unique         2.07, 2.57 A)
 &rst
  ixpk= 1210, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  HA           37 LEU  HB-         3.50    (#   1211:25  Unique         2.07, 2.57 A)
 &rst
  ixpk= 1211, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDX          37 LEU  HB+         3.50    (#   1212:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDY          37 LEU  HB+         2.80    (#   1213:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDX          37 LEU  HB-         2.80    (#   1214:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDY          37 LEU  HB-         2.80    (#   1215:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   62 SER  HN           37 LEU  MDX         3.50    (#   1218:25  Unique         1.75, 4.40 A)
 &rst
  ixpk= 1218, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   39 SER  HN           37 LEU  MDX         5.50    (#   1220:25  Unique         2.19, 5.47 A)
 &rst
  ixpk= 1220, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:1223     0 AMB  25-1:1223   3.50    (#   1223:25  Double Ambig)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 274, 275, 274, 275,
 igr2= 633, 634, 635, 637, 638, 639, 556, 557, 558, 560,
       561, 562,
 &end
#
#    0 AMB  25-2:1224     0 AMB  25-1:1224   2.80    (#   1224:25  Double Ambig)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 594, 901,1248,
 igr2= 556, 557, 558, 560, 561, 562,1222,1223,1224,1226,
      1227,1228,
 &end
#
#    0 AMB  25-2:1225     0 AMB  25-1:1225   4.50    (#   1225:25  Double Ambig)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1= 917, 918, 647, 648, 868, 869,
 igr2= 556, 557, 558, 560, 561, 562, 633, 634, 635, 637,
       638, 639,
 &end
#
#   65 ILE  QD1          84 VAL  MGY         3.50    (#   1226:25  Unique         3.00, 6.24 A)
 &rst
  ixpk= 1226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964, 965,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    0 AMB  25-2:1228    38 GLU  HA          5.50    (#   1228:25  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 205, 950,
 &end
#
#   38 GLU  HN           38 GLU  HA          3.50    (#   1229:25  Unique         2.21, 2.74 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 566, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HG-          38 GLU  HA          3.50    (#   1231:25  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 573, 574,
 &end
#
#   38 GLU  HA           38 GLU  HB-         2.80    (#   1232:25  Unique         2.24, 2.62 A)
 &rst
  ixpk= 1232, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 570, 571,
 &end
#
#   38 GLU  HN           38 GLU  HB+         5.50    (#   1233:25  Unique         2.19, 3.13 A)
 &rst
  ixpk= 1233, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 570, 571,
 &end
#
#   38 GLU  HN           38 GLU  HB-         4.50    (#   1234:25  Unique         2.19, 3.13 A)
 &rst
  ixpk= 1234, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 570, 571,
 &end
#
#   39 SER  HN           38 GLU  HB+         3.50    (#   1235:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 1235, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 570, 571,
 &end
#
#   89 GLU  HN           89 GLU  HG+         3.50    (#   1236:25  Unique         1.85, 2.61 A)
 &rst
  ixpk= 1236, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#   38 GLU  HA           38 GLU  HG+         3.50    (#   1237:25  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1237, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 573, 574,
 &end
#
#   39 SER  HB-          39 SER  HA          3.50    (#   1238:25  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1238, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 585, 586,
 &end
#
#   39 SER  HB+          39 SER  HA          3.50    (#   1239:25  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1239, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 585, 586,
 &end
#
#   39 SER  HN           39 SER  HA          3.50    (#   1240:25  Unique         2.19, 2.56 A)
 &rst
  ixpk= 1240, nxpk= 25, iat= 581, 583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 SER  HN           39 SER  HA          2.80    (#   1241:25  Unique         2.23, 2.88 A)
 &rst
  ixpk= 1241, nxpk= 25, iat= 592, 583, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   39 SER  HA           39 SER  HB-         3.50    (#   1244:25  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1244, nxpk= 25, iat= 583,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 585, 586,
 &end
#
#   40 SER  HB+          40 SER  HA          2.80    (#   1247:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 596, 597,
 &end
#
#   40 SER  HN           40 SER  HA          3.50    (#   1248:25  Unique         2.17, 2.51 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ARG  HN           40 SER  HA          4.50    (#   1249:25  Unique         2.24, 2.82 A)
 &rst
  ixpk= 1249, nxpk= 25, iat= 603, 594, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ARG  HN           40 SER  HB+         4.50    (#   1250:25  Unique         2.06, 3.59 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 596, 597,
 &end
#
#   40 SER  HN           40 SER  HB+         5.50    (#   1251:25  Unique         2.64, 3.59 A)
 &rst
  ixpk= 1251, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 596, 597,
 &end
#
#   40 SER  HA           40 SER  HB+         2.80    (#   1252:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 1252, nxpk= 25, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 596, 597,
 &end
#
#   41 ARG  HB+          40 SER  HB+         4.50    (#   1253:25  Unique         3.60, 5.69 A)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 607, 608,
 igr2= 596, 597,
 &end
#
#   42 VAL  HN           41 ARG  HA          3.50    (#   1254:25  Unique         2.09, 2.52 A)
 &rst
  ixpk= 1254, nxpk= 25, iat= 627, 605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ARG  HB+          41 ARG  HA          3.50    (#   1256:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1256, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 607, 608,
 &end
#
#   41 ARG  HB-          41 ARG  HA          3.50    (#   1257:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 607, 608,
 &end
#
#   37 LEU  MDX          41 ARG  HA          5.50    (#   1258:25  Unique         2.08, 4.80 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   41 ARG  HG-          41 ARG  HB-         3.50    (#   1260:25  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 610, 611,
 igr2= 607, 608,
 &end
#
#   41 ARG  HD+          41 ARG  HB-         3.50    (#   1263:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 607, 608,
 &end
#
#   41 ARG  HD+          41 ARG  HB+         3.50    (#   1264:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 1264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 607, 608,
 &end
#
#   41 ARG  HA           41 ARG  HB+         2.80    (#   1265:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 607, 608,
 &end
#
#   41 ARG  HA           41 ARG  HB-         3.50    (#   1266:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1266, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 607, 608,
 &end
#
#   42 VAL  HN           41 ARG  HB+         4.50    (#   1267:25  Unique         1.87, 3.10 A)
 &rst
  ixpk= 1267, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 607, 608,
 &end
#
#   42 VAL  HN           41 ARG  HB-         4.50    (#   1268:25  Unique         1.87, 3.10 A)
 &rst
  ixpk= 1268, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 607, 608,
 &end
#
#  129 LYS  HA          129 LYS  HG+         3.50    (#   1269:25  Unique         2.60, 2.82 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1957,1958,
 &end
#
#   41 ARG  HG-          41 ARG  HD+         2.80    (#   1270:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 610, 611,
 igr2= 613, 614,
 &end
#
#   10 ARG  HB-          10 ARG  HD+         2.80    (#   1271:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 171, 172,
 igr2= 177, 178,
 &end
#
#  104 PRO  HD+          10 ARG  HD+         4.50    (#   1273:25  Unique         4.05, 5.92 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2= 177, 178,
 &end
#
#  105 ASP  HA           10 ARG  HD+         5.50    (#   1274:25  Unique         2.24, 3.53 A)
 &rst
  ixpk= 1274, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 177, 178,
 &end
#
#  103 ASP  HA           10 ARG  HD+         5.50    (#   1279:25  Unique         4.50, 5.92 A)
 &rst
  ixpk= 1279, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 177, 178,
 &end
#
#  106 GLY  HN           10 ARG  HD+         4.50    (#   1281:25  Unique         4.12, 5.36 A)
 &rst
  ixpk= 1281, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 177, 178,
 &end
#
#   41 ARG  HN           41 ARG  HD+         3.50    (#   1282:25  Unique         2.17, 3.63 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 613, 614,
 &end
#
#   42 VAL  HN           42 VAL  HA          4.50    (#   1283:25  Unique         2.14, 2.71 A)
 &rst
  ixpk= 1283, nxpk= 25, iat= 627, 629, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 VAL  HB           42 VAL  HA          3.50    (#   1287:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1287, nxpk= 25, iat= 631, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HB           78 SER  HB+         4.50    (#   1288:25  Unique         2.54, 3.36 A)
 &rst
  ixpk= 1288, nxpk= 25, iat= 122,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   42 VAL  HN           42 VAL  HB          3.50    (#   1289:25  Unique         2.18, 3.31 A)
 &rst
  ixpk= 1289, nxpk= 25, iat= 627, 631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 HIS  HN           43 HIS  HB+         3.50    (#   1293:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1293, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   43 HIS  HN           43 HIS  HB-         3.50    (#   1294:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1294, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   46 ALA  HN           43 HIS  HB+         4.50    (#   1295:25  Unique         2.83, 4.02 A)
 &rst
  ixpk= 1295, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   46 ALA  HN           43 HIS  HB-         4.50    (#   1296:25  Unique         2.83, 4.02 A)
 &rst
  ixpk= 1296, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   43 HIS  HD2          43 HIS  HB+         4.50    (#   1297:25  Unique         2.34, 3.13 A)
 &rst
  ixpk= 1297, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   43 HIS  HA           43 HIS  HB+         3.50    (#   1300:25  Unique         2.26, 2.74 A)
 &rst
  ixpk= 1300, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   43 HIS  HA           43 HIS  HB-         4.50    (#   1301:25  Unique         2.26, 2.74 A)
 &rst
  ixpk= 1301, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#    0 AMB  25-2:1302     0 AMB  25-1:1302   4.50    (#   1302:25  Double Ambig)
 &rst
  ixpk= 1302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 661, 662, 629,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  25-2:1303    43 HIS  HB-         5.50    (#   1303:25  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 661, 662, 629,
 igr2= 647, 648,
 &end
#
#   46 ALA  MB           43 HIS  HB+         3.50    (#   1304:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 692, 693, 694,
 igr2= 647, 648,
 &end
#
#   46 ALA  MB           43 HIS  HB-         3.50    (#   1305:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 692, 693, 694,
 igr2= 647, 648,
 &end
#
#   47 ILE  HG1+         44 PRO  HA          5.50    (#   1306:25  Unique         3.51, 4.18 A)
 &rst
  ixpk= 1306, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 708, 709,
 &end
#
#   27 ALA  MB           24 THR  HA          3.50    (#   1308:25  Unique         3.23, 4.42 A)
 &rst
  ixpk= 1308, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 424, 425, 426,
 &end
#
#   44 PRO  HD-          44 PRO  HA          5.50    (#   1309:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 1309, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 661, 662,
 &end
#
#   47 ILE  HN           44 PRO  HA          3.50    (#   1310:25  Unique         2.94, 3.11 A)
 &rst
  ixpk= 1310, nxpk= 25, iat= 698, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           44 PRO  HA          5.50    (#   1311:25  Unique         3.86, 4.03 A)
 &rst
  ixpk= 1311, nxpk= 25, iat= 717, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HN           44 PRO  HA          5.50    (#   1312:25  Unique         3.61, 3.63 A)
 &rst
  ixpk= 1312, nxpk= 25, iat= 674, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HN           44 PRO  HB-         5.50    (#   1313:25  Unique         3.15, 3.93 A)
 &rst
  ixpk= 1313, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD+          44 PRO  HB-         3.50    (#   1314:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD+          44 PRO  HB+         3.50    (#   1315:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD-          44 PRO  HB-         3.50    (#   1316:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#    0 AMB  25-2:1317     0 AMB  25-1:1317   3.50    (#   1317:25  Double Ambig)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713,
 igr2= 667, 668, 667, 668,
 &end
#
#    0 AMB  25-2:1318    44 PRO  HB-         4.50    (#   1318:25  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713,
 igr2= 667, 668,
 &end
#
#   44 PRO  HB+          44 PRO  HG+         2.80    (#   1319:25  Unique         2.32, 2.64 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 667, 668,
 igr2= 664, 665,
 &end
#
#   43 HIS  HA           44 PRO  HD-         2.80    (#   1320:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 1320, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 661, 662,
 &end
#
#   44 PRO  HA           44 PRO  HD-         5.50    (#   1321:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 1321, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 661, 662,
 &end
#
#   44 PRO  HA           44 PRO  HD+         3.50    (#   1322:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 1322, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 661, 662,
 &end
#
#   44 PRO  HB+          44 PRO  HD+         3.50    (#   1323:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 667, 668,
 igr2= 661, 662,
 &end
#
#   44 PRO  HB+          44 PRO  HD-         5.50    (#   1324:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 667, 668,
 igr2= 661, 662,
 &end
#
#    0 AMB  25-2:1325    44 PRO  HD-         2.80    (#   1325:25  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 664, 665, 667, 668,
 igr2= 661, 662,
 &end
#
#    0 AMB  25-2:1326     0 AMB  25-1:1326   2.80    (#   1326:25  Double Ambig)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 664, 665, 667, 668,
 igr2= 661, 662, 661, 662,
 &end
#
#    0 AMB  25-2:1327    45 THR  HA          3.50    (#   1327:25  Single Ambig)
 &rst
  ixpk= 1327, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 738, 739, 740, 664, 665, 702,
 &end
#
#   49 MET  HG+          45 THR  HA          4.50    (#   1328:25  Unique         3.75, 4.54 A)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 734, 735,
 &end
#
#   45 THR  HB           45 THR  HA          4.50    (#   1329:25  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 678, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HN           45 THR  HA          4.50    (#   1331:25  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1331, nxpk= 25, iat= 688, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HN           45 THR  HA          3.50    (#   1332:25  Unique         3.17, 3.33 A)
 &rst
  ixpk= 1332, nxpk= 25, iat= 717, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           45 THR  HA          4.50    (#   1333:25  Unique         3.71, 3.88 A)
 &rst
  ixpk= 1333, nxpk= 25, iat= 727, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 THR  HN           45 THR  HA          3.50    (#   1334:25  Unique         2.78, 2.80 A)
 &rst
  ixpk= 1334, nxpk= 25, iat= 674, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HN           45 THR  HB          4.50    (#   1335:25  Unique         2.57, 2.73 A)
 &rst
  ixpk= 1335, nxpk= 25, iat= 674, 678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ILE  HN           45 THR  HB          5.50    (#   1336:25  Unique         5.19, 5.27 A)
 &rst
  ixpk= 1336, nxpk= 25, iat= 698, 678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HA           45 THR  HB          3.50    (#   1338:25  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1338, nxpk= 25, iat= 676, 678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  MG2          45 THR  HB          2.80    (#   1339:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1, 678, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 680, 681, 682,
 &end
#
#   48 ALA  MB           45 THR  MG2         3.50    (#   1340:25  Unique         3.56, 5.63 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 721, 722, 723,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  ME           45 THR  MG2         3.50    (#   1341:25  Unique         2.77, 5.37 A)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 738, 739, 740,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  HG+          45 THR  MG2         3.50    (#   1342:25  Unique         2.11, 3.75 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HB-          45 THR  MG2         5.50    (#   1343:25  Unique         3.26, 4.91 A)
 &rst
  ixpk= 1343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1662,1663,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  HB+          45 THR  MG2         5.50    (#   1344:25  Unique         4.10, 5.77 A)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 731, 732,
 igr2= 680, 681, 682,
 &end
#
#   45 THR  HB           45 THR  MG2         3.50    (#   1345:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1345, nxpk= 25, iat= 678,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HA           45 THR  MG2         5.50    (#   1346:25  Unique         5.78, 6.86 A)
 &rst
  ixpk= 1346, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#   45 THR  HA           45 THR  MG2         3.50    (#   1347:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 1347, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HD           45 THR  MG2         4.50    (#   1349:25  Unique         2.84, 4.72 A)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1666,1674,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HD           46 ALA  HA          3.50    (#   1350:25  Unique         2.56, 5.04 A)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#    0 AMB  25-2:1351     0 AMB  25-1:1351   4.50    (#   1351:25  Double Ambig)
 &rst
  ixpk= 1351, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 332, 333, 647, 648,
 igr2= 350, 690,
 &end
#
#   57 ILE  QD1          46 ALA  MB          3.50    (#   1352:25  Unique         2.10, 3.51 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859, 860,
 igr2= 692, 693, 694,
 &end
#
#   47 ILE  QD1          46 ALA  MB          3.50    (#   1353:25  Unique         2.51, 4.79 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 711, 712, 713,
 igr2= 692, 693, 694,
 &end
#
#    0 AMB  25-2:1354    46 ALA  MB          3.50    (#   1354:25  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 283, 284, 748, 749,
 igr2= 692, 693, 694,
 &end
#
#   49 MET  HB+          46 ALA  MB          4.50    (#   1355:25  Unique         4.11, 5.54 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 731, 732,
 igr2= 692, 693, 694,
 &end
#
#   50 MET  HG+          46 ALA  MB          5.50    (#   1356:25  Unique         2.66, 4.73 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 751, 752,
 igr2= 692, 693, 694,
 &end
#
#   43 HIS  HB-          46 ALA  MB          3.50    (#   1357:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 647, 648,
 igr2= 692, 693, 694,
 &end
#
#   43 HIS  HB+          46 ALA  MB          3.50    (#   1358:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 647, 648,
 igr2= 692, 693, 694,
 &end
#
#   46 ALA  HA           46 ALA  MB          2.80    (#   1359:25  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1359, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 692, 693, 694,
 &end
#
#  112 PHE  HD           46 ALA  MB          5.50    (#   1361:25  Unique         2.69, 6.66 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1666,1674,
 igr2= 692, 693, 694,
 &end
#
#   46 ALA  HN           46 ALA  MB          3.50    (#   1362:25  Unique         2.38, 3.02 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 692, 693, 694,
 &end
#
#   47 ILE  HN           46 ALA  MB          4.50    (#   1363:25  Unique         2.53, 3.52 A)
 &rst
  ixpk= 1363, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 692, 693, 694,
 &end
#
#   43 HIS  HN           46 ALA  MB          4.50    (#   1364:25  Unique         3.37, 4.85 A)
 &rst
  ixpk= 1364, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 692, 693, 694,
 &end
#
#  127 ILE  HN          127 ILE  HA          3.50    (#   1365:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1365, nxpk= 25, iat=1921,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 ILE  HN           47 ILE  HA          3.50    (#   1366:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 1366, nxpk= 25, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           47 ILE  HA          4.50    (#   1367:25  Unique         3.61, 3.63 A)
 &rst
  ixpk= 1367, nxpk= 25, iat= 717, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 GLU  HB+          47 ILE  HA          4.50    (#   1369:25  Unique         4.52, 5.15 A)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 765, 766,
 &end
#
#   47 ILE  HB           47 ILE  HA          2.80    (#   1370:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1370, nxpk= 25, iat= 702, 700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HG1-         47 ILE  HA          3.50    (#   1371:25  Unique         2.29, 3.00 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   47 ILE  QG2          47 ILE  HA          2.80    (#   1372:25  Unique         2.76, 3.44 A)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 704, 705, 706,
 &end
#
#   47 ILE  HG1+         47 ILE  HB          3.50    (#   1373:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   48 ALA  MB           47 ILE  HB          4.50    (#   1374:25  Unique         4.49, 5.30 A)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 721, 722, 723,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          2.80    (#   1375:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 708, 709,
 &end
#
#   44 PRO  HA           47 ILE  HB          2.80    (#   1376:25  Unique         2.14, 2.32 A)
 &rst
  ixpk= 1376, nxpk= 25, iat= 670, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HA           47 ILE  HB          3.50    (#   1377:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1377, nxpk= 25, iat= 700, 702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HN           47 ILE  HB          4.50    (#   1378:25  Unique         4.35, 4.48 A)
 &rst
  ixpk= 1378, nxpk= 25, iat= 688, 702, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HN           47 ILE  HB          2.80    (#   1379:25  Unique         2.58, 2.72 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 717, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HN           47 ILE  HB          2.80    (#   1380:25  Unique         2.21, 2.28 A)
 &rst
  ixpk= 1380, nxpk= 25, iat= 698, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HN           47 ILE  HG1+        4.50    (#   1381:25  Unique         3.69, 3.90 A)
 &rst
  ixpk= 1381, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 708, 709,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        3.50    (#   1382:25  Unique         3.69, 3.90 A)
 &rst
  ixpk= 1382, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 708, 709,
 &end
#
#   58 SER  HB+          47 ILE  HG1+        5.50    (#   1383:25  Unique         2.10, 3.52 A)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 868, 869,
 igr2= 708, 709,
 &end
#
#   47 ILE  HA           47 ILE  HG1+        3.50    (#   1384:25  Unique         2.29, 3.00 A)
 &rst
  ixpk= 1384, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 708, 709,
 &end
#
#   47 ILE  HB           47 ILE  HG1+        4.50    (#   1385:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1385, nxpk= 25, iat= 702,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 708, 709,
 &end
#
#    0 AMB  25-2:1387     0 AMB  25-1:1387   2.80    (#   1387:25  Double Ambig)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 711, 712, 713, 633, 634, 635, 637, 638, 639,
 igr2= 708, 709, 708, 709,
 &end
#
#   57 ILE  HG1-         47 ILE  HG1+        3.50    (#   1388:25  Unique         2.84, 4.38 A)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 855, 856,
 igr2= 708, 709,
 &end
#
#    0 AMB  25-2:1389    47 ILE  QD1         3.50    (#   1389:25  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 708, 709, 858, 859, 860,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:1390    30 ILE  QD1         2.80    (#   1390:25  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 469, 470,1931,1932,
 igr2= 472, 473, 474,
 &end
#
#  131 SER  HB+         127 ILE  QG2         3.50    (#   1391:25  Unique         2.29, 4.07 A)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1995,1996,
 igr2=1927,1928,1929,
 &end
#
#    0 AMB  25-2:1392     0 AMB  25-1:1392   3.50    (#   1392:25  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1995,1996, 868, 869,
 igr2=1927,1928,1929, 704, 705, 706,
 &end
#
#  127 ILE  HA          127 ILE  QG2         2.80    (#   1393:25  Unique         2.90, 3.51 A)
 &rst
  ixpk= 1393, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1927,1928,1929,
 &end
#
#    2 LYS  HE+         130 ILE  QG2         3.50    (#   1394:25  Unique         3.33, 5.14 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  34,  35,
 igr2=1978,1979,1980,
 &end
#
#   47 ILE  QG2          48 ALA  HA          3.50    (#   1395:25  Unique         3.20, 4.22 A)
 &rst
  ixpk= 1395, nxpk= 25, iat=  -1, 719, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 704, 705, 706,
 &end
#
#    0 AMB  25-2:1396     0 AMB  25-1:1396   4.50    (#   1396:25  Double Ambig)
 &rst
  ixpk= 1396, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1022,1023,1022,1023,
 igr2=1056,1044,
 &end
#
#   93 GLN  HE2+         71 ASP  HA          3.50    (#   1397:25  Unique         2.19, 2.56 A)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   48 ALA  HN           48 ALA  HA          2.80    (#   1398:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 717, 719, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HN           48 ALA  HA          3.50    (#   1399:25  Unique         3.09, 3.23 A)
 &rst
  ixpk= 1399, nxpk= 25, iat= 761, 719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           48 ALA  HA          3.50    (#   1400:25  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1400, nxpk= 25, iat= 727, 719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           48 ALA  MB          3.50    (#   1401:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 1401, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 721, 722, 723,
 &end
#
#   49 MET  HG+          48 ALA  MB          3.50    (#   1402:25  Unique         3.09, 5.20 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735,
 igr2= 721, 722, 723,
 &end
#
#    0 AMB  25-2:1403    48 ALA  MB          3.50    (#   1403:25  Single Ambig)
 &rst
  ixpk= 1403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 765, 766, 780, 781,
 igr2= 721, 722, 723,
 &end
#
#   49 MET  ME           48 ALA  MB          3.50    (#   1404:25  Unique         2.33, 5.29 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 738, 739, 740,
 igr2= 721, 722, 723,
 &end
#
#   45 THR  MG2          48 ALA  MB          4.50    (#   1405:25  Unique         3.56, 5.63 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 680, 681, 682,
 igr2= 721, 722, 723,
 &end
#
#    0 AMB  25-2:1406    49 MET  HA          4.50    (#   1406:25  Single Ambig)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1685,1686, 721, 722, 723,
 &end
#
#   49 MET  HB-          49 MET  HA          3.50    (#   1407:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   49 MET  HB+          49 MET  HA          2.80    (#   1408:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 731, 732,
 &end
#
#   49 MET  HG+          49 MET  HA          2.80    (#   1409:25  Unique         2.68, 3.26 A)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 734, 735,
 &end
#
#   52 GLU  HG+          49 MET  HA          3.50    (#   1410:25  Unique         2.06, 3.26 A)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#   52 GLU  HN           49 MET  HA          3.50    (#   1411:25  Unique         3.36, 3.51 A)
 &rst
  ixpk= 1411, nxpk= 25, iat= 776, 729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           49 MET  HA          5.50    (#   1412:25  Unique         5.37, 5.41 A)
 &rst
  ixpk= 1412, nxpk= 25, iat= 717, 729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 MET  HN           49 MET  HA          2.80    (#   1413:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 727, 729, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 MET  HN           49 MET  HB+         3.50    (#   1414:25  Unique         2.27, 2.96 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#   49 MET  HA           49 MET  HB+         3.50    (#   1415:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1415, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#  104 PRO  HA          107 GLN  HG+         3.50    (#   1416:25  Unique         1.99, 2.62 A)
 &rst
  ixpk= 1416, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  116 ARG  HD-          49 MET  HB+         4.50    (#   1417:25  Unique         3.30, 5.02 A)
 &rst
  ixpk= 1417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2= 731, 732,
 &end
#
#   45 THR  MG2          49 MET  HG+         3.50    (#   1418:25  Unique         2.11, 3.75 A)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 680, 681, 682,
 igr2= 734, 735,
 &end
#
#  109 LEU  MDY          49 MET  HG+         4.50    (#   1419:25  Unique         2.88, 5.16 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 734, 735,
 &end
#
#    0 AMB  25-2:1420     0 AMB  25-1:1420   5.50    (#   1420:25  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1685,1686, 721, 722, 723,
 igr2= 734, 735, 734, 735,
 &end
#
#   49 MET  HB-          49 MET  HG+         3.50    (#   1421:25  Unique         2.16, 2.61 A)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 731, 732,
 igr2= 734, 735,
 &end
#
#   49 MET  ME           49 MET  HG+         2.80    (#   1422:25  Unique         2.13, 3.46 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 738, 739, 740,
 igr2= 734, 735,
 &end
#
#  112 PHE  HB-          49 MET  HG+         3.50    (#   1423:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1662,1663,
 igr2= 734, 735,
 &end
#
#  112 PHE  HB+          49 MET  HG+         4.50    (#   1424:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1662,1663,
 igr2= 734, 735,
 &end
#
#   46 ALA  HA           49 MET  HG+         3.50    (#   1425:25  Unique         3.16, 3.80 A)
 &rst
  ixpk= 1425, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 734, 735,
 &end
#
#   49 MET  HA           49 MET  HG+         3.50    (#   1426:25  Unique         2.68, 3.26 A)
 &rst
  ixpk= 1426, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 734, 735,
 &end
#
#  112 PHE  HD           49 MET  HG+         4.50    (#   1427:25  Unique         2.16, 4.34 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1666,1674,
 igr2= 734, 735,
 &end
#
#   50 MET  HN           49 MET  HG+         5.50    (#   1429:25  Unique         4.47, 4.93 A)
 &rst
  ixpk= 1429, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 734, 735,
 &end
#
#   49 MET  HN           49 MET  HG+         3.50    (#   1430:25  Unique         2.31, 3.02 A)
 &rst
  ixpk= 1430, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 734, 735,
 &end
#
#  110 GLU  HN          110 GLU  HB-         2.80    (#   1431:25  Unique         2.49, 3.04 A)
 &rst
  ixpk= 1431, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1631,1632,
 &end
#
#  110 GLU  HN          110 GLU  HB+         2.80    (#   1432:25  Unique         2.49, 3.04 A)
 &rst
  ixpk= 1432, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1631,1632,
 &end
#
#   50 MET  HN           50 MET  HB+         4.50    (#   1433:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 748, 749,
 &end
#
#   55 ILE  HN           50 MET  HB-         3.50    (#   1434:25  Unique         3.21, 3.92 A)
 &rst
  ixpk= 1434, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:1435    50 MET  HB-         2.80    (#   1435:25  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 818, 855, 856,
 igr2= 748, 749,
 &end
#
#  101 LEU  MDX         118 GLN  HB-         2.80    (#   1436:25  Unique         2.21, 4.28 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1767,1768,
 &end
#
#   17 MET  ME           50 MET  HB+         3.50    (#   1437:25  Unique         2.98, 4.55 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 290, 291, 292,
 igr2= 748, 749,
 &end
#
#   57 ILE  QD1          50 MET  HB+         5.50    (#   1438:25  Unique         2.96, 4.55 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 858, 859, 860,
 igr2= 748, 749,
 &end
#
#   57 ILE  QD1          50 MET  HG+         3.50    (#   1439:25  Unique         2.09, 3.06 A)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 858, 859, 860,
 igr2= 751, 752,
 &end
#
#   57 ILE  QD1          50 MET  HG-         3.50    (#   1440:25  Unique         2.09, 3.06 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 858, 859, 860,
 igr2= 751, 752,
 &end
#
#   57 ILE  QG2          50 MET  HG+         3.50    (#   1441:25  Unique         2.48, 4.34 A)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 851, 852, 853,
 igr2= 751, 752,
 &end
#
#   57 ILE  QG2          50 MET  HG-         2.80    (#   1442:25  Unique         2.48, 4.34 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 851, 852, 853,
 igr2= 751, 752,
 &end
#
#   57 ILE  HG1+         50 MET  HG-         4.50    (#   1443:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   50 MET  HB-          50 MET  HG+         4.50    (#   1444:25  Unique         2.19, 2.52 A)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 748, 749,
 igr2= 751, 752,
 &end
#
#   50 MET  HN           50 MET  HG+         3.50    (#   1448:25  Unique         2.59, 3.48 A)
 &rst
  ixpk= 1448, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 751, 752,
 &end
#
#   50 MET  HN           50 MET  HG-         3.50    (#   1449:25  Unique         2.59, 3.48 A)
 &rst
  ixpk= 1449, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-2:1450    51 GLU  HA          4.50    (#   1450:25  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 818, 797, 798, 799, 801, 802, 803, 855, 856,
 &end
#
#    0 AMB  25-2:1451    51 GLU  HA          5.50    (#   1451:25  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 837, 838, 751, 752,
 &end
#
#   53 VAL  HN           51 GLU  HA          4.50    (#   1453:25  Unique         3.43, 3.54 A)
 &rst
  ixpk= 1453, nxpk= 25, iat= 791, 763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HN           51 GLU  HA          3.50    (#   1454:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1454, nxpk= 25, iat= 776, 763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 GLU  HN           51 GLU  HA          3.50    (#   1455:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 1455, nxpk= 25, iat= 761, 763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 SER  HN          107 GLN  HB+         3.50    (#   1456:25  Unique         1.85, 2.92 A)
 &rst
  ixpk= 1456, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1584,1585,
 &end
#
#   51 GLU  HN           51 GLU  HB+         3.50    (#   1457:25  Unique         2.39, 2.47 A)
 &rst
  ixpk= 1457, nxpk= 25, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 765, 766,
 &end
#
#   60 GLN  HA           60 GLN  HB+         3.50    (#   1459:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 1459, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 886, 887,
 &end
#
#  111 VAL  MGY         107 GLN  HB+         3.50    (#   1460:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 1460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#  111 VAL  MGX         107 GLN  HB+         3.50    (#   1461:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#   67 ASN  HN           66 GLU  HG+         4.50    (#   1462:25  Unique         3.07, 4.99 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 976, 977,
 &end
#
#   94 GLU  HN           94 GLU  HG-         3.50    (#   1463:25  Unique         3.72, 4.08 A)
 &rst
  ixpk= 1463, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1386,1387,
 &end
#
#   94 GLU  HN           94 GLU  HG+         3.50    (#   1464:25  Unique         3.72, 4.08 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1386,1387,
 &end
#
#   95 ILE  HN           94 GLU  HG+         4.50    (#   1465:25  Unique         2.93, 3.71 A)
 &rst
  ixpk= 1465, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1386,1387,
 &end
#
#   52 GLU  HG+          52 GLU  HA          3.50    (#   1468:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#   53 VAL  HN           52 GLU  HA          3.50    (#   1470:25  Unique         3.20, 3.45 A)
 &rst
  ixpk= 1470, nxpk= 25, iat= 791, 778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 GLY  HN           52 GLU  HA          4.50    (#   1471:25  Unique         3.68, 3.99 A)
 &rst
  ixpk= 1471, nxpk= 25, iat= 807, 778, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HN           52 GLU  HB+         3.50    (#   1472:25  Unique         2.12, 3.02 A)
 &rst
  ixpk= 1472, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 780, 781,
 &end
#
#   52 GLU  HN           52 GLU  HB-         2.80    (#   1473:25  Unique         2.12, 3.02 A)
 &rst
  ixpk= 1473, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 780, 781,
 &end
#
#   53 VAL  HN           52 GLU  HB-         4.50    (#   1474:25  Unique         2.89, 3.73 A)
 &rst
  ixpk= 1474, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   53 VAL  HN           52 GLU  HB+         4.50    (#   1475:25  Unique         2.89, 3.73 A)
 &rst
  ixpk= 1475, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HB-         2.80    (#   1476:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1476, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HB+         2.80    (#   1477:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1477, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 780, 781,
 &end
#
#   49 MET  HA           52 GLU  HB+         4.50    (#   1478:25  Unique         2.33, 3.80 A)
 &rst
  ixpk= 1478, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   52 GLU  HG+          52 GLU  HB+         2.80    (#   1479:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 1479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 783, 784,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HG+         3.50    (#   1481:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1481, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   49 MET  HA           52 GLU  HG+         3.50    (#   1482:25  Unique         2.06, 3.26 A)
 &rst
  ixpk= 1482, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   52 GLU  HN           52 GLU  HG+         3.50    (#   1483:25  Unique         2.49, 3.01 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   88 PRO  HD+          87 PRO  HB+         2.80    (#   1484:25  Unique         2.25, 3.02 A)
 &rst
  ixpk= 1484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1272,1273,
 &end
#
#   53 VAL  HN           53 VAL  HB          4.50    (#   1485:25  Unique         2.37, 3.44 A)
 &rst
  ixpk= 1485, nxpk= 25, iat= 791, 795, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HD1          87 PRO  HB+         3.50    (#   1486:25  Unique         2.29, 4.05 A)
 &rst
  ixpk= 1486, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1272,1273,
 &end
#
#   21 PHE  HE           53 VAL  HB          5.50    (#   1487:25  Unique         3.10, 5.64 A)
 &rst
  ixpk= 1487, nxpk= 25, iat=  -1, 795, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 338, 342,
 &end
#
#   55 ILE  HN           53 VAL  MGX         3.50    (#   1488:25  Unique         3.01, 5.21 A)
 &rst
  ixpk= 1488, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   21 PHE  HE           53 VAL  MGX         3.50    (#   1489:25  Unique         2.34, 5.43 A)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 338, 342,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1490    53 VAL  MGX         4.50    (#   1490:25  Single Ambig)
 &rst
  ixpk= 1490, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 816, 778,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  116 ARG  HD+          53 VAL  MGX         3.50    (#   1491:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1742,1743,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   52 GLU  HB-          53 VAL  MGX         4.50    (#   1492:25  Unique         2.65, 5.43 A)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 780, 781,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1493    53 VAL  MGX         4.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 748, 749,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   55 ILE  HG1-         53 VAL  MGX         3.50    (#   1494:25  Unique         2.46, 6.17 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 824, 825,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   55 ILE  QD1          53 VAL  MGX         3.50    (#   1495:25  Unique         2.81, 6.07 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 827, 828, 829,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   53 VAL  HN           53 VAL  MGY         4.50    (#   1496:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 1496, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   53 VAL  HN           54 GLY  HA-         5.50    (#   1498:25  Unique         4.12, 4.59 A)
 &rst
  ixpk= 1498, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 809, 810,
 &end
#
#   55 ILE  HN           55 ILE  HA          3.50    (#   1499:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1499, nxpk= 25, iat= 814, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1500     0 AMB  25-1:1500   4.50    (#   1500:25  Double Ambig)
 &rst
  ixpk= 1500, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 837, 838,1662,1663,
 igr2= 816,1629,
 &end
#
#   56 ASP  HB-          55 ILE  HA          4.50    (#   1501:25  Unique         4.06, 4.40 A)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 837, 838,
 &end
#
#   55 ILE  HG1-         55 ILE  HA          2.80    (#   1502:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1502, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   55 ILE  HB           55 ILE  HA          3.50    (#   1503:25  Unique         2.98, 3.00 A)
 &rst
  ixpk= 1503, nxpk= 25, iat= 818, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HG1+         55 ILE  HA          2.80    (#   1504:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HA          3.50    (#   1505:25  Unique         4.08, 4.39 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QD1          55 ILE  HB          3.50    (#   1506:25  Unique         2.43, 3.20 A)
 &rst
  ixpk= 1506, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   17 MET  ME           55 ILE  HB          2.80    (#   1507:25  Unique         2.90, 3.92 A)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 290, 291, 292,
 &end
#
#   55 ILE  HG1+         55 ILE  HB          2.80    (#   1508:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   55 ILE  HG1-         55 ILE  HB          2.80    (#   1509:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1509, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   50 MET  HB-          55 ILE  HB          3.50    (#   1510:25  Unique         2.09, 3.03 A)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 748, 749,
 &end
#
#   50 MET  HB+          55 ILE  HB          4.50    (#   1511:25  Unique         2.09, 3.03 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 748, 749,
 &end
#
#   55 ILE  HA           55 ILE  HB          4.50    (#   1512:25  Unique         2.98, 3.00 A)
 &rst
  ixpk= 1512, nxpk= 25, iat= 816, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 ILE  HN           55 ILE  HB          2.80    (#   1514:25  Unique         2.42, 2.60 A)
 &rst
  ixpk= 1514, nxpk= 25, iat= 814, 818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   55 ILE  HN           55 ILE  HG1-        4.50    (#   1515:25  Unique         3.09, 3.76 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 824, 825,
 &end
#
#   55 ILE  HN           55 ILE  HG1+        5.50    (#   1516:25  Unique         3.09, 3.76 A)
 &rst
  ixpk= 1516, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 824, 825,
 &end
#
#   55 ILE  HA           55 ILE  HG1+        3.50    (#   1517:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1517, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 824, 825,
 &end
#
#   55 ILE  HA           55 ILE  HG1-        3.50    (#   1518:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1518, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 824, 825,
 &end
#
#    0 AMB  25-2:1519    55 ILE  HG1-        2.80    (#   1519:25  Single Ambig)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 igr2= 824, 825,
 &end
#
#   55 ILE  QG2          55 ILE  HG1-        3.50    (#   1520:25  Unique         2.63, 3.64 A)
 &rst
  ixpk= 1520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 824, 825,
 &end
#
#   55 ILE  QG2          55 ILE  HG1+        3.50    (#   1521:25  Unique         2.63, 3.64 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HG1+        3.50    (#   1522:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 827, 828, 829,
 igr2= 824, 825,
 &end
#
#   50 MET  HB-          55 ILE  QD1         4.50    (#   1523:25  Unique         4.07, 5.80 A)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 748, 749,
 igr2= 827, 828, 829,
 &end
#
#   50 MET  HG-          55 ILE  QD1         4.50    (#   1524:25  Unique         4.02, 6.36 A)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:1525    55 ILE  QD1         4.50    (#   1525:25  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 795,1809,1810,
 igr2= 827, 828, 829,
 &end
#
#   24 THR  HB           55 ILE  QD1         3.50    (#   1526:25  Unique         3.41, 4.21 A)
 &rst
  ixpk= 1526, nxpk= 25, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 827, 828, 829,
 &end
#
#   21 PHE  HA           55 ILE  QD1         3.50    (#   1527:25  Unique         2.90, 3.62 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 827, 828, 829,
 &end
#
#   21 PHE  HD           55 ILE  QD1         3.50    (#   1529:25  Unique         2.32, 4.48 A)
 &rst
  ixpk= 1529, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 336, 344,
 igr2= 827, 828, 829,
 &end
#
#   21 PHE  HE           55 ILE  QD1         4.50    (#   1530:25  Unique         2.36, 4.73 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 342,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:1531    55 ILE  QD1         4.50    (#   1531:25  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 814, 321,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:1532    55 ILE  QD1         5.50    (#   1532:25  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 833, 358, 394,
 igr2= 827, 828, 829,
 &end
#
#   56 ASP  HN           56 ASP  HB+         3.50    (#   1534:25  Unique         2.15, 2.65 A)
 &rst
  ixpk= 1534, nxpk= 25, iat= 833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 837, 838,
 &end
#
#   55 ILE  HA           56 ASP  HB+         4.50    (#   1536:25  Unique         4.06, 4.40 A)
 &rst
  ixpk= 1536, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 837, 838,
 &end
#
#   55 ILE  HA           56 ASP  HB-         4.50    (#   1537:25  Unique         4.06, 4.40 A)
 &rst
  ixpk= 1537, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 837, 838,
 &end
#
#    0 AMB  25-2:1538   103 ASP  HB-         3.50    (#   1538:25  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1548,1549,1522,
 igr2=1539,1540,
 &end
#
#   95 ILE  HG1-         95 ILE  HA          3.50    (#   1540:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 1540, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   95 ILE  HB           95 ILE  HA          3.50    (#   1541:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HB+          57 ILE  HA          3.50    (#   1542:25  Unique         3.56, 4.34 A)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 886, 887,
 &end
#
#   60 GLN  HN           57 ILE  HA          5.50    (#   1543:25  Unique         3.46, 4.30 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 882, 847, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ILE  HN           57 ILE  HA          3.50    (#   1544:25  Unique         2.18, 2.89 A)
 &rst
  ixpk= 1544, nxpk= 25, iat= 845, 847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HE2+         57 ILE  HB          4.50    (#   1545:25  Unique         2.55, 3.51 A)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   57 ILE  HA           57 ILE  HB          2.80    (#   1548:25  Unique         2.29, 2.44 A)
 &rst
  ixpk= 1548, nxpk= 25, iat= 847, 849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 ILE  HG1-         57 ILE  HB          3.50    (#   1550:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 855, 856,
 &end
#
#   57 ILE  QD1          57 ILE  HB          2.80    (#   1551:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 858, 859, 860,
 &end
#
#   47 ILE  HA           57 ILE  HG1-        3.50    (#   1557:25  Unique         2.79, 3.13 A)
 &rst
  ixpk= 1557, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   47 ILE  HA           57 ILE  HG1+        3.50    (#   1558:25  Unique         2.79, 3.13 A)
 &rst
  ixpk= 1558, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   57 ILE  HN           57 ILE  HG1-        5.50    (#   1560:25  Unique         2.28, 2.82 A)
 &rst
  ixpk= 1560, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 855, 856,
 &end
#
#   47 ILE  HN           57 ILE  QD1         4.50    (#   1562:25  Unique         3.83, 5.13 A)
 &rst
  ixpk= 1562, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#   57 ILE  HA           57 ILE  QD1         4.50    (#   1564:25  Unique         4.71, 5.09 A)
 &rst
  ixpk= 1564, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#   17 MET  HA           57 ILE  QD1         4.50    (#   1565:25  Unique         2.24, 3.50 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#   47 ILE  HA           57 ILE  QD1         3.50    (#   1566:25  Unique         3.40, 4.56 A)
 &rst
  ixpk= 1566, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 858, 859, 860,
 &end
#
#   50 MET  HG+          57 ILE  QD1         4.50    (#   1567:25  Unique         2.09, 3.06 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 858, 859, 860,
 &end
#
#   16 GLN  HB-          57 ILE  QD1         4.50    (#   1568:25  Unique         3.09, 5.25 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 266, 267,
 igr2= 858, 859, 860,
 &end
#
#   46 ALA  MB           57 ILE  QD1         2.80    (#   1569:25  Unique         2.10, 3.51 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 692, 693, 694,
 igr2= 858, 859, 860,
 &end
#
#   57 ILE  HG1-         57 ILE  QD1         2.80    (#   1570:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 855, 856,
 igr2= 858, 859, 860,
 &end
#
#   86 LEU  HB-          91 VAL  MGX         5.50    (#   1571:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 1571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1250,1251,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   50 MET  HB-          57 ILE  QG2         3.50    (#   1572:25  Unique         3.20, 4.80 A)
 &rst
  ixpk= 1572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 748, 749,
 igr2= 851, 852, 853,
 &end
#
#   50 MET  HG+          57 ILE  QG2         4.50    (#   1573:25  Unique         2.48, 4.34 A)
 &rst
  ixpk= 1573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 851, 852, 853,
 &end
#
#   56 ASP  HB+          57 ILE  QG2         5.50    (#   1574:25  Unique         4.85, 6.50 A)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 837, 838,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HA+          57 ILE  QG2         3.50    (#   1575:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 1575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 851, 852, 853,
 &end
#
#   47 ILE  HA           57 ILE  QG2         5.50    (#   1576:25  Unique         5.10, 6.14 A)
 &rst
  ixpk= 1576, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HA-          57 ILE  QG2         3.50    (#   1577:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HA           57 ILE  QG2         2.80    (#   1578:25  Unique         2.26, 3.05 A)
 &rst
  ixpk= 1578, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 851, 852, 853,
 &end
#
#   60 GLN  HE2-         57 ILE  QG2         4.50    (#   1580:25  Unique         2.51, 4.28 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 894, 895,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HN           57 ILE  QG2         3.50    (#   1581:25  Unique         2.70, 3.74 A)
 &rst
  ixpk= 1581, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 851, 852, 853,
 &end
#
#   60 GLN  HE2+         57 ILE  QG2         5.50    (#   1582:25  Unique         2.51, 4.28 A)
 &rst
  ixpk= 1582, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 894, 895,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HN           57 ILE  QG2         4.50    (#   1583:25  Unique         2.54, 3.99 A)
 &rst
  ixpk= 1583, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 851, 852, 853,
 &end
#
#   59 GLY  HN           59 GLY  HA+         3.50    (#   1585:25  Unique         2.25, 2.58 A)
 &rst
  ixpk= 1585, nxpk= 25, iat= 875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 877, 878,
 &end
#
#   59 GLY  HN           59 GLY  HA-         3.50    (#   1586:25  Unique         2.25, 2.58 A)
 &rst
  ixpk= 1586, nxpk= 25, iat= 875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 877, 878,
 &end
#
#   60 GLN  HN           59 GLY  HA+         4.50    (#   1587:25  Unique         2.89, 3.35 A)
 &rst
  ixpk= 1587, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 877, 878,
 &end
#
#   60 GLN  HN           59 GLY  HA-         4.50    (#   1588:25  Unique         2.89, 3.35 A)
 &rst
  ixpk= 1588, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 877, 878,
 &end
#
#  126 LEU  HN          125 ASN  HA          3.50    (#   1592:25  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=1902,1890, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  HN           60 GLN  HB+         3.50    (#   1593:25  Unique         1.94, 3.23 A)
 &rst
  ixpk= 1593, nxpk= 25, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2+         60 GLN  HB+         5.50    (#   1594:25  Unique         1.92, 3.51 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HN           60 GLN  HB+         4.50    (#   1595:25  Unique         2.06, 3.05 A)
 &rst
  ixpk= 1595, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 886, 887,
 &end
#
#   60 GLN  HN           60 GLN  HB-         5.50    (#   1596:25  Unique         2.06, 3.05 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 886, 887,
 &end
#
#   60 GLN  HA           60 GLN  HG+         3.50    (#   1598:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 1598, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 889, 890,
 &end
#
#   60 GLN  HN           60 GLN  HG+         4.50    (#   1599:25  Unique         2.24, 3.33 A)
 &rst
  ixpk= 1599, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#   61 THR  HN           61 THR  HA          3.50    (#   1600:25  Unique         2.17, 2.73 A)
 &rst
  ixpk= 1600, nxpk= 25, iat= 899, 901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  MDX          61 THR  HA          3.50    (#   1601:25  Unique         2.20, 5.19 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   55 ILE  QD1          24 THR  HB          3.50    (#   1602:25  Unique         3.41, 4.21 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   37 LEU  MDY          61 THR  HB          5.50    (#   1603:25  Unique         2.04, 4.36 A)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1, 903, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   24 THR  HN           24 THR  HB          3.50    (#   1608:25  Unique         2.01, 2.05 A)
 &rst
  ixpk= 1608, nxpk= 25, iat= 380, 384, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HN           61 THR  MG2         4.50    (#   1609:25  Unique         2.50, 4.05 A)
 &rst
  ixpk= 1609, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 905, 906, 907,
 &end
#
#  115 VAL  HN          114 THR  MG2         4.50    (#   1610:25  Unique         3.75, 4.46 A)
 &rst
  ixpk= 1610, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#   61 THR  HN           61 THR  MG2         3.50    (#   1611:25  Unique         2.03, 3.81 A)
 &rst
  ixpk= 1611, nxpk= 25, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 905, 906, 907,
 &end
#
#  118 GLN  HE2-        114 THR  MG2         3.50    (#   1612:25  Unique         2.23, 3.81 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1775,1776,
 igr2=1708,1709,1710,
 &end
#
#   62 SER  HB-          62 SER  HA          3.50    (#   1616:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1, 915, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 917, 918,
 &end
#
#   63 ASP  HN           62 SER  HA          3.50    (#   1617:25  Unique         2.19, 2.96 A)
 &rst
  ixpk= 1617, nxpk= 25, iat= 924, 915, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  MDX          62 SER  HB-         5.50    (#   1618:25  Unique         2.20, 6.18 A)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 917, 918,
 &end
#
#   41 ARG  HA           62 SER  HB-         5.50    (#   1621:25  Unique         2.82, 5.00 A)
 &rst
  ixpk= 1621, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#   62 SER  HA           62 SER  HB-         5.50    (#   1622:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1622, nxpk= 25, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#   62 SER  HN           62 SER  HB-         5.50    (#   1623:25  Unique         2.21, 3.51 A)
 &rst
  ixpk= 1623, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#    0 AMB  25-2:1624    85 ASN  HA          4.50    (#   1624:25  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1255,1256,1257,1259,1260,1261,1222,1223,1224,1226,
      1227,1228,1222,1223,1224,1226,1227,1228,
 &end
#
#   86 LEU  HB+          85 ASN  HA          5.50    (#   1625:25  Unique         4.45, 5.23 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1250,1251,
 &end
#
#   85 ASN  HN           85 ASN  HA          3.50    (#   1627:25  Unique         2.30, 2.91 A)
 &rst
  ixpk= 1627, nxpk= 25, iat=1232,1234, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HN           85 ASN  HB+         4.50    (#   1628:25  Unique         4.01, 4.42 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1236,1237,
 &end
#
#   56 ASP  HN           56 ASP  HB-         3.50    (#   1629:25  Unique         2.15, 2.65 A)
 &rst
  ixpk= 1629, nxpk= 25, iat= 833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 837, 838,
 &end
#
#   85 ASN  HN           85 ASN  HB+         4.50    (#   1630:25  Unique         2.17, 2.67 A)
 &rst
  ixpk= 1630, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1236,1237,
 &end
#
#   85 ASN  HN           85 ASN  HB-         3.50    (#   1631:25  Unique         2.17, 2.67 A)
 &rst
  ixpk= 1631, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1236,1237,
 &end
#
#   66 GLU  HN           64 PRO  HB+         3.50    (#   1636:25  Unique         2.61, 3.51 A)
 &rst
  ixpk= 1636, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 943, 944,
 &end
#
#  116 ARG  HA          119 VAL  HB          2.80    (#   1638:25  Unique         2.55, 2.72 A)
 &rst
  ixpk= 1638, nxpk= 25, iat=1734,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  QD1          65 ILE  HA          4.50    (#   1639:25  Unique         4.29, 4.65 A)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 963, 964, 965,
 &end
#
#   68 PHE  HD           65 ILE  HA          3.50    (#   1640:25  Unique         2.40, 4.54 A)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1014,
 &end
#
#   67 ASN  HN           65 ILE  HA          4.50    (#   1641:25  Unique         3.76, 3.90 A)
 &rst
  ixpk= 1641, nxpk= 25, iat= 984, 952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 SER  HN          108 SER  HB-         3.50    (#   1642:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#   65 ILE  HN           65 ILE  HB          2.80    (#   1645:25  Unique         2.35, 2.47 A)
 &rst
  ixpk= 1645, nxpk= 25, iat= 950, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HA           65 ILE  HB          2.80    (#   1647:25  Unique         2.39, 2.45 A)
 &rst
  ixpk= 1647, nxpk= 25, iat= 952, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 CYS  HB-          65 ILE  HB          4.50    (#   1648:25  Unique         4.16, 5.18 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 533, 534,
 &end
#
#   65 ILE  HG1-         65 ILE  HB          2.80    (#   1649:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   65 ILE  QD1          65 ILE  HG1+        3.50    (#   1650:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2= 960, 961,
 &end
#
#   65 ILE  QD1          65 ILE  HG1-        3.50    (#   1651:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2= 960, 961,
 &end
#
#   65 ILE  HB           65 ILE  HG1-        3.50    (#   1652:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1652, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   65 ILE  HB           65 ILE  HG1+        2.80    (#   1653:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 960, 961,
 &end
#
#   65 ILE  HA           65 ILE  HG1+        3.50    (#   1654:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1654, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   65 ILE  HA           65 ILE  HG1-        3.50    (#   1655:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1655, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   90 TRP  HZ2          65 ILE  HG1+        5.50    (#   1656:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 1656, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   90 TRP  HZ2          65 ILE  HG1-        5.50    (#   1657:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   90 TRP  HE1          65 ILE  HG1+        4.50    (#   1658:25  Unique         3.61, 4.19 A)
 &rst
  ixpk= 1658, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   90 TRP  HE1          65 ILE  HG1-        4.50    (#   1659:25  Unique         3.61, 4.19 A)
 &rst
  ixpk= 1659, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   90 TRP  HE1          65 ILE  QD1         4.50    (#   1660:25  Unique         3.95, 5.03 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 963, 964, 965,
 &end
#
#   65 ILE  HA           65 ILE  QD1         4.50    (#   1661:25  Unique         4.29, 4.65 A)
 &rst
  ixpk= 1661, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 963, 964, 965,
 &end
#
#   87 PRO  HD+          65 ILE  QD1         4.50    (#   1662:25  Unique         3.60, 4.99 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1266,1267,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1663    65 ILE  QD1         3.50    (#   1663:25  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1266,1267,1312,1313,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1664    65 ILE  QD1         5.50    (#   1664:25  Single Ambig)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,1002,1003,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1665    65 ILE  QD1         4.50    (#   1665:25  Single Ambig)
 &rst
  ixpk= 1665, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1269,1270, 533, 534,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1666    65 ILE  QD1         4.50    (#   1666:25  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 122,1253,
 igr2= 963, 964, 965,
 &end
#
#   65 ILE  HB           65 ILE  QD1         3.50    (#   1667:25  Unique         2.46, 3.23 A)
 &rst
  ixpk= 1667, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1668    65 ILE  QD1         2.80    (#   1668:25  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1255,1256,1257,1259,1260,1261, 960, 961,1222,1223,
      1224,1226,1227,1228,
 igr2= 963, 964, 965,
 &end
#
#    7 VAL  MGY          65 ILE  QD1         3.50    (#   1669:25  Unique         2.19, 4.43 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 963, 964, 965,
 &end
#
#   66 GLU  HB+          65 ILE  QG2         3.50    (#   1671:25  Unique         3.07, 5.16 A)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 973, 974,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HG+          65 ILE  QG2         3.50    (#   1672:25  Unique         2.36, 3.81 A)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 976, 977,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HA           65 ILE  QG2         4.50    (#   1673:25  Unique         3.08, 4.37 A)
 &rst
  ixpk= 1673, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HN           65 ILE  QG2         3.50    (#   1675:25  Unique         2.44, 3.03 A)
 &rst
  ixpk= 1675, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 956, 957, 958,
 &end
#
#   65 ILE  HN           65 ILE  QG2         3.50    (#   1676:25  Unique         1.96, 3.02 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 950,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 956, 957, 958,
 &end
#
#   68 PHE  HN           66 GLU  HA          4.50    (#   1677:25  Unique         3.69, 3.79 A)
 &rst
  ixpk= 1677, nxpk= 25, iat= 998, 971, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 ASN  HN           66 GLU  HA          3.50    (#   1678:25  Unique         3.33, 3.46 A)
 &rst
  ixpk= 1678, nxpk= 25, iat= 984, 971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  QG2          66 GLU  HA          3.50    (#   1679:25  Unique         3.08, 4.37 A)
 &rst
  ixpk= 1679, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 956, 957, 958,
 &end
#
#   67 ASN  HN           66 GLU  HB+         4.50    (#   1680:25  Unique         3.19, 3.71 A)
 &rst
  ixpk= 1680, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 973, 974,
 &end
#
#   66 GLU  HN           66 GLU  HG+         3.50    (#   1681:25  Unique         1.99, 2.99 A)
 &rst
  ixpk= 1681, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   66 GLU  HA           66 GLU  HG+         3.50    (#   1682:25  Unique         2.36, 2.79 A)
 &rst
  ixpk= 1682, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   66 GLU  HA           66 GLU  HG+         3.50    (#   1683:25  Unique         2.36, 2.79 A)
 &rst
  ixpk= 1683, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   65 ILE  QG2          66 GLU  HG+         3.50    (#   1684:25  Unique         2.36, 3.81 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 956, 957, 958,
 igr2= 976, 977,
 &end
#
#   67 ASN  HN           67 ASN  HA          2.80    (#   1685:25  Unique         2.93, 2.95 A)
 &rst
  ixpk= 1685, nxpk= 25, iat= 984, 986, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HN           67 ASN  HA          3.50    (#   1686:25  Unique         3.30, 3.42 A)
 &rst
  ixpk= 1686, nxpk= 25, iat= 998, 986, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASN  HN           67 ASN  HB+         2.80    (#   1687:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 1687, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 988, 989,
 &end
#
#   68 PHE  HD           67 ASN  HB+         4.50    (#   1688:25  Unique         2.57, 6.22 A)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1006,1014,
 igr2= 988, 989,
 &end
#
#   67 ASN  HD2-         67 ASN  HB+         3.50    (#   1689:25  Unique         2.31, 3.45 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 993, 994,
 igr2= 988, 989,
 &end
#
#   67 ASN  HA           67 ASN  HB+         2.80    (#   1690:25  Unique         2.18, 2.50 A)
 &rst
  ixpk= 1690, nxpk= 25, iat= 986,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 988, 989,
 &end
#
#   69 ASN  HN           68 PHE  HB+         3.50    (#   1691:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1691, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#   69 ASN  HN           68 PHE  HB-         4.50    (#   1692:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   69 ASN  HN           68 PHE  HB-         5.50    (#   1693:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1693, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1002,1003,
 &end
#
#   68 PHE  HN           68 PHE  HB+         4.50    (#   1694:25  Unique         2.31, 2.98 A)
 &rst
  ixpk= 1694, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   68 PHE  HN           68 PHE  HB-         3.50    (#   1695:25  Unique         2.31, 2.98 A)
 &rst
  ixpk= 1695, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#    0 AMB  25-2:1696     0 AMB  25-1:1696   2.80    (#   1696:25  Double Ambig)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1321,1006,1014,
 igr2=1002,1003,1002,1003,
 &end
#
#    0 AMB  25-2:1697    68 PHE  HB-         2.80    (#   1697:25  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1321,1006,1014,
 igr2=1002,1003,
 &end
#
#    0 AMB  25-2:1698     0 AMB  25-1:1698   5.50    (#   1698:25  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1074,1083,1316,
 igr2=1002,1003,1002,1003,
 &end
#
#   90 TRP  HH2          68 PHE  HB+         3.50    (#   1699:25  Unique         2.82, 3.54 A)
 &rst
  ixpk= 1699, nxpk= 25, iat=1323,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#   90 TRP  HH2          68 PHE  HB-         4.50    (#   1700:25  Unique         2.82, 3.54 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=1323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   68 PHE  HA           68 PHE  HB+         3.50    (#   1701:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1701, nxpk= 25, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#    5 MET  ME           68 PHE  HB+         4.50    (#   1702:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=1002,1003,
 &end
#
#    5 MET  ME           68 PHE  HB-         4.50    (#   1703:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=1002,1003,
 &end
#
#   70 ALA  MB           69 ASN  HA          4.50    (#   1704:25  Unique         4.32, 5.01 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   71 ASP  HN           69 ASN  HA          3.50    (#   1707:25  Unique         3.36, 3.48 A)
 &rst
  ixpk= 1707, nxpk= 25, iat=1042,1020, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1708    69 ASN  HA          4.50    (#   1708:25  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1054,1066,
 &end
#
#   69 ASN  HN           69 ASN  HA          3.50    (#   1709:25  Unique         2.94, 2.97 A)
 &rst
  ixpk= 1709, nxpk= 25, iat=1018,1020, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ASN  HN           69 ASN  HB+         3.50    (#   1710:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1710, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   69 ASN  HN           69 ASN  HB-         3.50    (#   1711:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   70 ALA  HN           69 ASN  HB-         4.50    (#   1712:25  Unique         4.15, 4.47 A)
 &rst
  ixpk= 1712, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   70 ALA  HN           69 ASN  HB+         4.50    (#   1713:25  Unique         4.15, 4.47 A)
 &rst
  ixpk= 1713, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   72 ASP  HN           69 ASN  HB+         4.50    (#   1714:25  Unique         3.32, 4.29 A)
 &rst
  ixpk= 1714, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   69 ASN  HD2+         69 ASN  HB+         3.50    (#   1715:25  Unique         2.13, 3.43 A)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:1716     0 AMB  25-1:1716   4.50    (#   1716:25  Double Ambig)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1042,1006,1014,
 igr2=1022,1023,1022,1023,
 &end
#
#   69 ASN  HD2+         69 ASN  HB-         3.50    (#   1717:25  Unique         2.13, 3.43 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:1718    69 ASN  HB-         5.50    (#   1718:25  Single Ambig)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1042,1006,1014,
 igr2=1022,1023,
 &end
#
#   69 ASN  HD2-         73 TYR  HB-         5.50    (#   1719:25  Unique         6.32, 7.51 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1027,1028,
 igr2=1070,1071,
 &end
#
#   69 ASN  HA           69 ASN  HB+         3.50    (#   1720:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 1720, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   73 TYR  HB-          70 ALA  HA          4.50    (#   1721:25  Unique         3.32, 4.19 A)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB+          70 ALA  HA          4.50    (#   1722:25  Unique         3.32, 4.19 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#    0 AMB  25-2:1723    70 ALA  HA          4.50    (#   1723:25  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1310,1068,
 &end
#
#   69 ASN  HA           70 ALA  HA          4.50    (#   1724:25  Unique         4.50, 4.52 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=1020,1034, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HZ3          70 ALA  HA          5.50    (#   1725:25  Unique         4.74, 4.91 A)
 &rst
  ixpk= 1725, nxpk= 25, iat=1325,1034, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HH2          70 ALA  HA          5.50    (#   1726:25  Unique         4.53, 4.68 A)
 &rst
  ixpk= 1726, nxpk= 25, iat=1323,1034, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HD           70 ALA  HA          3.50    (#   1727:25  Unique         2.19, 3.89 A)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1074,1083,
 &end
#
#    0 AMB  25-2:1728    70 ALA  HA          3.50    (#   1728:25  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1042,1321,
 &end
#
#   73 TYR  HN           70 ALA  HA          3.50    (#   1729:25  Unique         3.51, 3.55 A)
 &rst
  ixpk= 1729, nxpk= 25, iat=1066,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  HN           70 ALA  HA          3.50    (#   1730:25  Unique         2.74, 2.76 A)
 &rst
  ixpk= 1730, nxpk= 25, iat=1032,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HE3          70 ALA  MB          5.50    (#   1731:25  Unique         3.04, 3.67 A)
 &rst
  ixpk= 1731, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1732    70 ALA  MB          3.50    (#   1732:25  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1042,1321,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HE2+         70 ALA  MB          3.50    (#   1733:25  Unique         2.89, 4.14 A)
 &rst
  ixpk= 1733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1374,1375,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1734    70 ALA  MB          4.50    (#   1734:25  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1316,1074,1083,1332,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HE2-         70 ALA  MB          4.50    (#   1735:25  Unique         2.89, 4.14 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1374,1375,
 igr2=1036,1037,1038,
 &end
#
#   69 ASN  HA           70 ALA  MB          4.50    (#   1736:25  Unique         4.32, 5.01 A)
 &rst
  ixpk= 1736, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HA           70 ALA  MB          5.50    (#   1737:25  Unique         4.02, 5.12 A)
 &rst
  ixpk= 1737, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HB+          70 ALA  MB          5.50    (#   1738:25  Unique         3.95, 4.62 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1312,1313,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HB-          70 ALA  MB          5.50    (#   1739:25  Unique         3.95, 4.62 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1312,1313,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1740    70 ALA  MB          4.50    (#   1740:25  Single Ambig)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1369,1370,1046,1047,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1741    70 ALA  MB          5.50    (#   1741:25  Single Ambig)
 &rst
  ixpk= 1741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1119,1046,1047,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HB-          70 ALA  MB          3.50    (#   1742:25  Unique         2.06, 3.53 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1297,1298,
 igr2=1036,1037,1038,
 &end
#
#   76 VAL  MGX          70 ALA  MB          5.50    (#   1743:25  Unique         2.31, 4.66 A)
 &rst
  ixpk= 1743, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1036,1037,1038,
 &end
#
#   76 VAL  MGY          70 ALA  MB          5.50    (#   1744:25  Unique         2.31, 4.66 A)
 &rst
  ixpk= 1744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1036,1037,1038,
 &end
#
#   70 ALA  MB           71 ASP  HA          4.50    (#   1747:25  Unique         4.24, 4.88 A)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   72 ASP  HN           71 ASP  HB+         4.50    (#   1748:25  Unique         2.88, 3.63 A)
 &rst
  ixpk= 1748, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   72 ASP  HN           71 ASP  HB-         4.50    (#   1749:25  Unique         2.88, 3.63 A)
 &rst
  ixpk= 1749, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   69 ASN  HD2-         71 ASP  HB+         5.50    (#   1750:25  Unique         2.24, 5.21 A)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1027,1028,
 igr2=1046,1047,
 &end
#
#   93 GLN  HE2-         71 ASP  HB+         5.50    (#   1751:25  Unique         3.87, 4.92 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1374,1375,
 igr2=1046,1047,
 &end
#
#   69 ASN  HD2-         71 ASP  HB-         5.50    (#   1752:25  Unique         2.24, 5.21 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1027,1028,
 igr2=1046,1047,
 &end
#
#    0 AMB  25-2:1753    72 ASP  HB-         3.50    (#   1753:25  Single Ambig)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1054,1066,
 igr2=1058,1059,
 &end
#
#   69 ASN  HD2-         72 ASP  HB-         3.50    (#   1754:25  Unique         1.97, 2.80 A)
 &rst
  ixpk= 1754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1058,1059,
 &end
#
#   69 ASN  HD2-         72 ASP  HB+         3.50    (#   1755:25  Unique         1.97, 2.80 A)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1058,1059,
 &end
#
#   91 VAL  MGX          90 TRP  HA          5.50    (#   1756:25  Unique         4.81, 6.02 A)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   76 VAL  MGY          90 TRP  HA          3.50    (#   1757:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  MGX          90 TRP  HA          3.50    (#   1758:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:1759    73 TYR  HA          3.50    (#   1759:25  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  53,  54,  50,  51,
 &end
#
#   73 TYR  HB-          73 TYR  HA          2.80    (#   1760:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB+          73 TYR  HA          2.80    (#   1761:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   90 TRP  HB-          90 TRP  HA          3.50    (#   1762:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 1762, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1312,1313,
 &end
#
#   93 GLN  HE2-         90 TRP  HA          3.50    (#   1763:25  Unique         3.12, 3.92 A)
 &rst
  ixpk= 1763, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   93 GLN  HE2+         90 TRP  HA          4.50    (#   1765:25  Unique         3.12, 3.92 A)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   73 TYR  HN           73 TYR  HA          2.80    (#   1766:25  Unique         2.89, 2.91 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=1066,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HN           73 TYR  HA          5.50    (#   1767:25  Unique         3.41, 3.69 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  43,1068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HN           73 TYR  HB+         4.50    (#   1768:25  Unique         2.10, 2.88 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1070,1071,
 &end
#
#   74 ASP  HN           73 TYR  HB-         4.50    (#   1769:25  Unique         2.10, 2.88 A)
 &rst
  ixpk= 1769, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1070,1071,
 &end
#
#   73 TYR  HN           73 TYR  HB+         3.50    (#   1770:25  Unique         2.52, 3.12 A)
 &rst
  ixpk= 1770, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   73 TYR  HN           73 TYR  HB-         2.80    (#   1771:25  Unique         2.52, 3.12 A)
 &rst
  ixpk= 1771, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1070,1071,
 &end
#
#   73 TYR  HA           73 TYR  HB+         3.50    (#   1772:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1772, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   73 TYR  HA           73 TYR  HB-         3.50    (#   1773:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1773, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   93 GLN  HB-          73 TYR  HB-         5.50    (#   1774:25  Unique         5.16, 6.46 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1366,1367,
 igr2=1070,1071,
 &end
#
#   70 ALA  HA           73 TYR  HB-         5.50    (#   1775:25  Unique         3.32, 4.19 A)
 &rst
  ixpk= 1775, nxpk= 25, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1070,1071,
 &end
#
#   76 VAL  MGX          73 TYR  HB-         4.50    (#   1776:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1070,1071,
 &end
#
#   76 VAL  MGX          73 TYR  HB+         3.50    (#   1777:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 1777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1070,1071,
 &end
#
#    0 AMB  25-2:1778    74 ASP  HA          5.50    (#   1778:25  Single Ambig)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  50,  51,  53,  54,1404,1405,
 &end
#
#   74 ASP  HN           74 ASP  HA          3.50    (#   1779:25  Unique         2.95, 2.98 A)
 &rst
  ixpk= 1779, nxpk= 25, iat=1087,1089, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LYS  HN           74 ASP  HB+         3.50    (#   1780:25  Unique         2.45, 3.46 A)
 &rst
  ixpk= 1780, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#    3 LYS  HN           74 ASP  HB-         3.50    (#   1781:25  Unique         2.45, 3.46 A)
 &rst
  ixpk= 1781, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HN           74 ASP  HB+         3.50    (#   1782:25  Unique         2.34, 3.02 A)
 &rst
  ixpk= 1782, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HN           74 ASP  HB-         3.50    (#   1783:25  Unique         2.34, 3.02 A)
 &rst
  ixpk= 1783, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   75 VAL  HN           74 ASP  HB+         3.50    (#   1784:25  Unique         2.87, 3.52 A)
 &rst
  ixpk= 1784, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   75 VAL  HN           74 ASP  HB-         3.50    (#   1785:25  Unique         2.87, 3.52 A)
 &rst
  ixpk= 1785, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HA           74 ASP  HB-         3.50    (#   1786:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1786, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#    2 LYS  HA           74 ASP  HB+         5.50    (#   1787:25  Unique         2.87, 3.73 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1091,1092,
 &end
#
#    2 LYS  HA           74 ASP  HB-         4.50    (#   1788:25  Unique         2.87, 3.73 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1091,1092,
 &end
#
#    2 LYS  HB+          74 ASP  HB+         4.50    (#   1789:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  25,  26,
 igr2=1091,1092,
 &end
#
#    2 LYS  HB+          74 ASP  HB-         3.50    (#   1790:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 1790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  25,  26,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:1791     0 AMB  25-1:1791   3.50    (#   1791:25  Double Ambig)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1=  50,  51,  31,  32,1404,1405,  53,  54,
 igr2=1091,1092,1091,1092,1091,1092,1091,1092,
 &end
#
#    2 LYS  HB-          74 ASP  HB-         2.80    (#   1792:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 1792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  25,  26,
 igr2=1091,1092,
 &end
#
#   75 VAL  MGX          74 ASP  HB+         5.50    (#   1793:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1091,1092,
 &end
#
#   75 VAL  MGX          74 ASP  HB-         5.50    (#   1794:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1091,1092,
 &end
#
#    4 VAL  MGX          75 VAL  HA          4.50    (#   1795:25  Unique         4.70, 6.04 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1796    75 VAL  HA          4.50    (#   1796:25  Single Ambig)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1911,1912,1913,1915,1916,1917,  85,  86,1909,
 &end
#
#    0 AMB  25-2:1797    75 VAL  HA          5.50    (#   1797:25  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1121,1122,1123,1125,1126,1127,1404,1405,
 &end
#
#    0 AMB  25-2:1798    75 VAL  HA          4.50    (#   1798:25  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1404,1405,1911,1912,1913,1915,1916,1917,
 &end
#
#   75 VAL  HB           75 VAL  HA          2.80    (#   1799:25  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=1103,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HN           75 VAL  HA          3.50    (#   1801:25  Unique         2.35, 2.40 A)
 &rst
  ixpk= 1801, nxpk= 25, iat=1394,1101, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  MGX          75 VAL  MGX         4.50    (#   1802:25  Unique         2.02, 4.95 A)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HG1+         75 VAL  MGX         4.50    (#   1803:25  Unique         2.60, 4.63 A)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1404,1405,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   74 ASP  HB-          75 VAL  MGX         5.50    (#   1804:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1091,1092,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   74 ASP  HB+          75 VAL  MGX         5.50    (#   1805:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1091,1092,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HA           75 VAL  MGX         3.50    (#   1806:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=1101,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  25-2:1807    75 VAL  MGX         4.50    (#   1807:25  Single Ambig)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  67,1089,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HN           75 VAL  MGX         4.50    (#   1808:25  Unique         3.15, 4.29 A)
 &rst
  ixpk= 1808, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   76 VAL  HN           75 VAL  MGX         4.50    (#   1809:25  Unique         2.18, 4.00 A)
 &rst
  ixpk= 1809, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   76 VAL  HN           75 VAL  MGY         3.50    (#   1810:25  Unique         2.18, 4.00 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   93 GLN  HA           75 VAL  MGY         5.50    (#   1811:25  Unique         5.18, 6.98 A)
 &rst
  ixpk= 1811, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    5 MET  HN           76 VAL  HA          3.50    (#   1812:25  Unique         2.48, 2.73 A)
 &rst
  ixpk= 1812, nxpk= 25, iat=  81,1117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HB           76 VAL  HA          3.50    (#   1813:25  Unique         2.42, 2.96 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=1119,1117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HB+          76 VAL  HA          3.50    (#   1814:25  Unique         2.41, 3.48 A)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#   77 ILE  HB           76 VAL  HA          4.50    (#   1815:25  Unique         4.40, 4.49 A)
 &rst
  ixpk= 1815, nxpk= 25, iat=1135,1117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  MGX          76 VAL  HA          3.50    (#   1816:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:1817    76 VAL  HA          3.50    (#   1817:25  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  85,  86,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:1818    76 VAL  HA          5.50    (#   1818:25  Single Ambig)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1141,1142, 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:1819    76 VAL  HA          4.50    (#   1819:25  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 124, 125, 126, 128, 129, 130,1144,1145,1146,
 &end
#
#    4 VAL  MGX          76 VAL  HA          3.50    (#   1820:25  Unique         3.82, 5.73 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   96 PHE  HD           76 VAL  HB          4.50    (#   1821:25  Unique         2.29, 4.54 A)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   76 VAL  HN           76 VAL  HB          4.50    (#   1822:25  Unique         2.42, 2.72 A)
 &rst
  ixpk= 1822, nxpk= 25, iat=1115,1119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  MGY          76 VAL  MGY         4.50    (#   1823:25  Unique         2.59, 6.26 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    5 MET  HB+          76 VAL  MGY         4.50    (#   1824:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  85,  86,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB-          76 VAL  MGY         4.50    (#   1825:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB+          76 VAL  MGY         3.50    (#   1826:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HA           76 VAL  MGY         3.50    (#   1827:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 1827, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HA           76 VAL  MGY         3.50    (#   1828:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   96 PHE  HD           76 VAL  MGY         3.50    (#   1829:25  Unique         2.12, 5.66 A)
 &rst
  ixpk= 1829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1421,1429,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   77 ILE  HN           76 VAL  MGY         3.50    (#   1830:25  Unique         3.01, 4.33 A)
 &rst
  ixpk= 1830, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   97 GLU  HN           77 ILE  HA          3.50    (#   1831:25  Unique         2.85, 3.03 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=1433,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HB           77 ILE  HA          3.50    (#   1832:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 1832, nxpk= 25, iat=1135,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  QD1          77 ILE  HA          2.80    (#   1833:25  Unique         2.25, 2.95 A)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1144,1145,1146,
 &end
#
#   77 ILE  QG2          77 ILE  HB          2.80    (#   1834:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1834, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1835    77 ILE  HB          3.50    (#   1835:25  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1144,1145,1146, 124, 125, 126, 128, 129, 130,
 &end
#
#   77 ILE  HG1+         77 ILE  HB          3.50    (#   1836:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1141,1142,
 &end
#
#    0 AMB  25-2:1837    77 ILE  HB          5.50    (#   1837:25  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1170,1171,1172,1174,1175,1176,1105,1106,1107,1109,
      1110,1111,
 &end
#
#   77 ILE  HG1-         77 ILE  HB          2.80    (#   1838:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1838, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1141,1142,
 &end
#
#    0 AMB  25-2:1839    77 ILE  HB          4.50    (#   1839:25  Single Ambig)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1911,1912,1913,1915,1916,1917,  85,  86,
 &end
#
#    6 PHE  HB-          77 ILE  HB          5.50    (#   1840:25  Unique         3.85, 4.71 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 102, 103,
 &end
#
#   77 ILE  HA           77 ILE  HB          3.50    (#   1841:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 1841, nxpk= 25, iat=1133,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HA           77 ILE  HB          5.50    (#   1842:25  Unique         4.40, 4.49 A)
 &rst
  ixpk= 1842, nxpk= 25, iat=1117,1135, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 PHE  HA           77 ILE  HB          3.50    (#   1843:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1843, nxpk= 25, iat= 100,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           77 ILE  HB          2.80    (#   1844:25  Unique         2.10, 3.91 A)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 106, 114,
 &end
#
#   77 ILE  HN           77 ILE  HB          3.50    (#   1845:25  Unique         2.53, 2.58 A)
 &rst
  ixpk= 1845, nxpk= 25, iat=1131,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HH2          77 ILE  HG1+        4.50    (#   1846:25  Unique         2.77, 3.68 A)
 &rst
  ixpk= 1846, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#   86 LEU  HA           86 LEU  MDX         3.50    (#   1847:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:1848    86 LEU  MDX         3.50    (#   1848:25  Single Ambig)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1312,1313,1266,1267,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   77 ILE  HB           77 ILE  HG1-        3.50    (#   1849:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1849, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1141,1142,
 &end
#
#   77 ILE  HB           77 ILE  HG1+        4.50    (#   1850:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1850, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#    0 AMB  25-2:1851    86 LEU  MDX         3.50    (#   1851:25  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   76 VAL  MGY          86 LEU  MDX         4.50    (#   1852:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#  126 LEU  MDX          77 ILE  HG1+        4.50    (#   1853:25  Unique         2.11, 3.96 A)
 &rst
  ixpk= 1853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1141,1142,
 &end
#
#   77 ILE  QD1          77 ILE  HG1+        2.80    (#   1854:25  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1144,1145,1146,
 igr2=1141,1142,
 &end
#
#   65 ILE  QD1          86 LEU  MDX         5.50    (#   1856:25  Unique         2.24, 4.26 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 963, 964, 965,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   77 ILE  QG2          77 ILE  HG1-        4.50    (#   1857:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1141,1142,
 &end
#
#   77 ILE  QG2          77 ILE  HG1+        3.50    (#   1858:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1137,1138,1139,
 igr2=1141,1142,
 &end
#
#   77 ILE  HB           77 ILE  QD1         4.50    (#   1861:25  Unique         3.77, 3.98 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HB+          77 ILE  QD1         3.50    (#   1862:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HB-          77 ILE  QD1         3.50    (#   1863:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HG+          77 ILE  QD1         5.50    (#   1864:25  Unique         3.68, 4.81 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1440,1441,
 igr2=1144,1145,1146,
 &end
#
#  126 LEU  HB+          77 ILE  QD1         5.50    (#   1865:25  Unique         2.75, 4.55 A)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1906,1907,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HA           77 ILE  QD1         5.50    (#   1866:25  Unique         4.77, 5.35 A)
 &rst
  ixpk= 1866, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HA           77 ILE  QD1         3.50    (#   1867:25  Unique         2.25, 2.95 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:1868    77 ILE  QD1         4.50    (#   1868:25  Single Ambig)
 &rst
  ixpk= 1868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1468, 110,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HN           77 ILE  QD1         3.50    (#   1869:25  Unique         2.95, 4.01 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HN           77 ILE  QD1         4.50    (#   1870:25  Unique         3.81, 4.67 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   99 TRP  HE1          77 ILE  QD1         4.50    (#   1871:25  Unique         2.80, 3.74 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HN           77 ILE  QG2         4.50    (#   1872:25  Unique         3.61, 4.34 A)
 &rst
  ixpk= 1872, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1137,1138,1139,
 &end
#
#   99 TRP  HZ2          77 ILE  QG2         4.50    (#   1873:25  Unique         3.83, 4.62 A)
 &rst
  ixpk= 1873, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1874    77 ILE  QG2         3.50    (#   1874:25  Single Ambig)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,1477,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1875    77 ILE  QG2         4.50    (#   1875:25  Single Ambig)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 100,1163,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HA           77 ILE  QG2         3.50    (#   1876:25  Unique         2.53, 3.15 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#   97 GLU  HB-          77 ILE  QG2         5.50    (#   1877:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1437,1438,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  HG           77 ILE  QG2         3.50    (#   1878:25  Unique         2.75, 3.97 A)
 &rst
  ixpk= 1878, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HB           77 ILE  QG2         3.50    (#   1879:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1880    77 ILE  QG2         4.50    (#   1880:25  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
 igr1=1911,1912,1913,1915,1916,1917,1786,1787,1788,1790,
      1791,1792,1840,1841,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  MDY          77 ILE  QG2         4.50    (#   1881:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  MDX          77 ILE  QG2         4.50    (#   1882:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HG1-         77 ILE  QG2         3.50    (#   1883:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1141,1142,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HG1+         77 ILE  QG2         3.50    (#   1884:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1141,1142,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  HN           78 SER  HA          2.80    (#   1885:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=1161,1152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 SER  HN           78 SER  HB-         4.50    (#   1886:25  Unique         2.30, 2.98 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   90 TRP  HZ3          78 SER  HB-         4.50    (#   1887:25  Unique         4.65, 5.48 A)
 &rst
  ixpk= 1887, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   90 TRP  HZ3          78 SER  HB+         4.50    (#   1888:25  Unique         4.65, 5.48 A)
 &rst
  ixpk= 1888, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   80 CYS  HN           80 CYS  HA          4.50    (#   1891:25  Unique         2.78, 2.93 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=1180,1182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HB+          80 CYS  HA          3.50    (#   1892:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#   84 VAL  HB           80 CYS  HB+         3.50    (#   1895:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1895, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   80 CYS  HA           80 CYS  HB-         5.50    (#   1897:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=1182,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1184,1185,
 &end
#
#   80 CYS  HA           80 CYS  HB+         3.50    (#   1898:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 1898, nxpk= 25, iat=1182,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   81 GLY  HN           81 GLY  HA+         3.50    (#   1901:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 1901, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#   81 GLY  HN           81 GLY  HA-         3.50    (#   1902:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 1902, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#   82 CYS  HN           81 GLY  HA+         4.50    (#   1903:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 1903, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1193,1194,
 &end
#
#   82 CYS  HN           81 GLY  HA-         4.50    (#   1904:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1193,1194,
 &end
#
#   96 PHE  HD           91 VAL  HA          3.50    (#   1907:25  Unique         2.62, 4.18 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1421,1429,
 &end
#
#    0 AMB  25-2:1908    91 VAL  HA          3.50    (#   1908:25  Single Ambig)
 &rst
  ixpk= 1908, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1332,1348,
 &end
#
#    0 AMB  25-2:1909    91 VAL  HA          5.50    (#   1909:25  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1423,1427,1415,
 &end
#
#   96 PHE  HB+          91 VAL  HA          3.50    (#   1910:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          91 VAL  HA          3.50    (#   1911:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   91 VAL  MGX          91 VAL  HA          3.50    (#   1912:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 1912, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   82 CYS  HN           82 CYS  HB+         3.50    (#   1917:25  Unique         2.26, 3.15 A)
 &rst
  ixpk= 1917, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1202,1203,
 &end
#
#   82 CYS  HN           82 CYS  HB-         4.50    (#   1918:25  Unique         2.26, 3.15 A)
 &rst
  ixpk= 1918, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1202,1203,
 &end
#
#   83 GLY  HN           83 GLY  HA+         5.50    (#   1919:25  Unique         2.29, 2.72 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1211,1212,
 &end
#
#   83 GLY  HN           83 GLY  HA-         4.50    (#   1920:25  Unique         2.29, 2.72 A)
 &rst
  ixpk= 1920, nxpk= 25, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   84 VAL  HN           83 GLY  HA+         4.50    (#   1921:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   84 VAL  HN           83 GLY  HA-         3.50    (#   1922:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 1922, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1211,1212,
 &end
#
#   84 VAL  HB           84 VAL  HA          3.50    (#   1925:25  Unique         2.39, 2.84 A)
 &rst
  ixpk= 1925, nxpk= 25, iat=1220,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 VAL  HN           84 VAL  HA          3.50    (#   1928:25  Unique         2.85, 2.94 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=1216,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 VAL  HN           84 VAL  HB          3.50    (#   1929:25  Unique         2.36, 2.57 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=1216,1220, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 CYS  HB-          84 VAL  HB          3.50    (#   1930:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1930, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#   80 CYS  HB+          84 VAL  HB          2.80    (#   1931:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1184,1185,
 &end
#
#   80 CYS  HB+          84 VAL  MGX         3.50    (#   1932:25  Unique         2.22, 4.17 A)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1184,1185,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   80 CYS  HB-          84 VAL  MGX         3.50    (#   1933:25  Unique         2.22, 4.17 A)
 &rst
  ixpk= 1933, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1184,1185,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HN           84 VAL  MGX         3.50    (#   1935:25  Unique         2.02, 3.93 A)
 &rst
  ixpk= 1935, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   89 GLU  HN           88 PRO  HA          4.50    (#   1936:25  Unique         3.41, 3.50 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=1293,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HN           88 PRO  HA          4.50    (#   1937:25  Unique         3.61, 3.86 A)
 &rst
  ixpk= 1937, nxpk= 25, iat=1308,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1938    88 PRO  HA          4.50    (#   1938:25  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1332,1348,
 &end
#
#   88 PRO  HD+          88 PRO  HA          3.50    (#   1939:25  Unique         3.25, 3.67 A)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1280,1281,
 &end
#
#   68 PHE  HB-          65 ILE  HA          5.50    (#   1940:25  Unique         2.88, 4.01 A)
 &rst
  ixpk= 1940, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#   91 VAL  HB           88 PRO  HA          5.50    (#   1941:25  Unique         2.58, 4.95 A)
 &rst
  ixpk= 1941, nxpk= 25, iat=1336,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  MGY          88 PRO  HA          4.50    (#   1942:25  Unique         2.17, 3.90 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   88 PRO  HD+          88 PRO  HB+         3.50    (#   1943:25  Unique         2.76, 3.65 A)
 &rst
  ixpk= 1943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1280,1281,
 igr2=1286,1287,
 &end
#
#   89 GLU  HN           88 PRO  HB+         5.50    (#   1944:25  Unique         3.10, 3.83 A)
 &rst
  ixpk= 1944, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1286,1287,
 &end
#
#   89 GLU  HN           88 PRO  HB-         4.50    (#   1945:25  Unique         3.10, 3.83 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1286,1287,
 &end
#
#   89 GLU  HN           88 PRO  HG+         4.50    (#   1946:25  Unique         3.19, 4.72 A)
 &rst
  ixpk= 1946, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#   89 GLU  HN           88 PRO  HG-         4.50    (#   1947:25  Unique         3.19, 4.72 A)
 &rst
  ixpk= 1947, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#   88 PRO  HA           88 PRO  HG+         3.50    (#   1948:25  Unique         2.71, 3.41 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1283,1284,
 &end
#
#   88 PRO  HA           88 PRO  HG-         3.50    (#   1949:25  Unique         2.71, 3.41 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1283,1284,
 &end
#
#   88 PRO  HB+          88 PRO  HD+         2.80    (#   1950:25  Unique         2.76, 3.65 A)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1286,1287,
 igr2=1280,1281,
 &end
#
#   87 PRO  HB+          88 PRO  HD+         2.80    (#   1951:25  Unique         2.25, 3.02 A)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1272,1273,
 igr2=1280,1281,
 &end
#
#   89 GLU  HN           88 PRO  HD+         3.50    (#   1954:25  Unique         3.14, 3.76 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1280,1281,
 &end
#
#   93 GLN  HE2+         89 GLU  HA          4.50    (#   1955:25  Unique         3.96, 4.72 A)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   92 THR  MG2          89 GLU  HA          3.50    (#   1958:25  Unique         2.78, 4.15 A)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#   70 ALA  MB           89 GLU  HA          4.50    (#   1959:25  Unique         4.02, 5.12 A)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   70 ALA  MB           89 GLU  HB+         3.50    (#   1960:25  Unique         2.06, 3.53 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1297,1298,
 &end
#
#   70 ALA  MB           89 GLU  HB-         3.50    (#   1961:25  Unique         2.06, 3.53 A)
 &rst
  ixpk= 1961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1297,1298,
 &end
#
#   89 GLU  HA           89 GLU  HB+         2.80    (#   1962:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1297,1298,
 &end
#
#   89 GLU  HA           89 GLU  HB-         2.80    (#   1963:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 1963, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1297,1298,
 &end
#
#   89 GLU  HN           89 GLU  HB+         3.50    (#   1964:25  Unique         2.67, 3.18 A)
 &rst
  ixpk= 1964, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1297,1298,
 &end
#
#   89 GLU  HN           89 GLU  HB-         3.50    (#   1965:25  Unique         2.67, 3.18 A)
 &rst
  ixpk= 1965, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1297,1298,
 &end
#
#   90 TRP  HN           89 GLU  HG+         4.50    (#   1966:25  Unique         2.73, 4.16 A)
 &rst
  ixpk= 1966, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#   90 TRP  HD1          89 GLU  HG+         3.50    (#   1967:25  Unique         2.24, 3.67 A)
 &rst
  ixpk= 1967, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#  118 GLN  HA          121 GLU  HG+         3.50    (#   1968:25  Unique         2.88, 4.26 A)
 &rst
  ixpk= 1968, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1825,1826,
 &end
#
#   90 TRP  HN           90 TRP  HB+         3.50    (#   1969:25  Unique         2.30, 2.93 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HN           90 TRP  HB-         3.50    (#   1970:25  Unique         2.30, 2.93 A)
 &rst
  ixpk= 1970, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HE3          90 TRP  HB+         3.50    (#   1971:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 1971, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HE3          90 TRP  HB-         5.50    (#   1972:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 1972, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:1973    90 TRP  HB-         3.50    (#   1973:25  Single Ambig)
 &rst
  ixpk= 1973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1316,1332,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:1974     0 AMB  25-1:1974   4.50    (#   1974:25  Double Ambig)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1316,1332,
 igr2=1312,1313,1312,1313,
 &end
#
#   90 TRP  HA           90 TRP  HB+         3.50    (#   1975:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 1975, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HA           90 TRP  HB-         3.50    (#   1976:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   96 PHE  HB+          90 TRP  HB+         4.50    (#   1977:25  Unique         4.85, 6.09 A)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1417,1418,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:1980     0 AMB  25-1:1980   3.50    (#   1980:25  Double Ambig)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,1312,1313,
 &end
#
#    0 AMB  25-2:1981    90 TRP  HB-         3.50    (#   1981:25  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   76 VAL  MGY          90 TRP  HB-         3.50    (#   1982:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1982, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   76 VAL  MGY          90 TRP  HB+         3.50    (#   1983:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1983, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   86 LEU  MDX          90 TRP  HB+         4.50    (#   1984:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   86 LEU  MDY          90 TRP  HB+         3.50    (#   1987:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   91 VAL  MGY          90 TRP  HB+         5.50    (#   1988:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#   91 VAL  MGY          90 TRP  HB-         5.50    (#   1989:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 1989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#   93 GLN  HN           91 VAL  HA          4.50    (#   1990:25  Unique         3.33, 4.46 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=1362,1334, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 PHE  HD           91 VAL  HB          5.50    (#   1991:25  Unique         3.67, 5.85 A)
 &rst
  ixpk= 1991, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1421,1429,
 &end
#
#    0 AMB  25-2:1992    91 VAL  HB          3.50    (#   1992:25  Single Ambig)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1332,1348,
 &end
#
#   92 THR  MG2          91 VAL  HB          4.50    (#   1994:25  Unique         3.41, 5.70 A)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1354,1355,1356,
 &end
#
#   86 LEU  HB+          91 VAL  MGX         5.50    (#   1995:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1250,1251,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   77 ILE  HG1+          4 VAL  MGX         3.50    (#   1998:25  Unique         2.66, 4.78 A)
 &rst
  ixpk= 1998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1141,1142,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:2001    92 THR  HB          4.50    (#   2001:25  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 25, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1348,1332,
 &end
#
#   89 GLU  HA           92 THR  HB          5.50    (#   2002:25  Unique         4.79, 5.24 A)
 &rst
  ixpk= 2002, nxpk= 25, iat=1295,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 GLN  HB-          92 THR  MG2         5.50    (#   2003:25  Unique         5.78, 7.57 A)
 &rst
  ixpk= 2003, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1366,1367,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  25-2:2004    92 THR  MG2         4.50    (#   2004:25  Single Ambig)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1369,1370,1283,1284,1300,1301,
 igr2=1354,1355,1356,
 &end
#
#   89 GLU  HA           92 THR  MG2         4.50    (#   2005:25  Unique         2.78, 4.15 A)
 &rst
  ixpk= 2005, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  25-2:2007    92 THR  MG2         3.50    (#   2007:25  Single Ambig)
 &rst
  ixpk= 2007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1348,1332,
 igr2=1354,1355,1356,
 &end
#
#   93 GLN  HN           93 GLN  HA          3.50    (#   2008:25  Unique         2.23, 2.53 A)
 &rst
  ixpk= 2008, nxpk= 25, iat=1362,1364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HE2-         93 GLN  HA          5.50    (#   2009:25  Unique         3.22, 3.59 A)
 &rst
  ixpk= 2009, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#   93 GLN  HG-          93 GLN  HA          3.50    (#   2010:25  Unique         2.86, 3.55 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HA          2.80    (#   2011:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   76 VAL  MGX          93 GLN  HB+         4.50    (#   2012:25  Unique         3.60, 5.74 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1366,1367,
 &end
#
#   76 VAL  MGX          93 GLN  HB-         3.50    (#   2013:25  Unique         3.60, 5.74 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1366,1367,
 &end
#
#   93 GLN  HG-          93 GLN  HB+         3.50    (#   2014:25  Unique         2.31, 2.58 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1366,1367,
 &end
#
#   93 GLN  HA           93 GLN  HB+         3.50    (#   2015:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HA           93 GLN  HB-         3.50    (#   2016:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HN           93 GLN  HB+         3.50    (#   2019:25  Unique         2.18, 3.27 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   94 GLU  HN           93 GLN  HB+         3.50    (#   2020:25  Unique         2.17, 3.09 A)
 &rst
  ixpk= 2020, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HN           93 GLN  HB-         3.50    (#   2021:25  Unique         2.18, 3.27 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   94 GLU  HN           93 GLN  HB-         3.50    (#   2022:25  Unique         2.17, 3.09 A)
 &rst
  ixpk= 2022, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   94 GLU  HN           93 GLN  HG+         5.50    (#   2023:25  Unique         4.01, 4.92 A)
 &rst
  ixpk= 2023, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1369,1370,
 &end
#
#   94 GLU  HN           93 GLN  HG-         5.50    (#   2024:25  Unique         4.01, 4.92 A)
 &rst
  ixpk= 2024, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1369,1370,
 &end
#
#   93 GLN  HN           93 GLN  HG+         4.50    (#   2025:25  Unique         1.88, 2.98 A)
 &rst
  ixpk= 2025, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1369,1370,
 &end
#
#   93 GLN  HN           93 GLN  HG-         4.50    (#   2026:25  Unique         1.88, 2.98 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2+         93 GLN  HG-         3.50    (#   2027:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2+         93 GLN  HG+         3.50    (#   2028:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2-         93 GLN  HG+         4.50    (#   2029:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2-         93 GLN  HG-         3.50    (#   2030:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HA           93 GLN  HG+         4.50    (#   2031:25  Unique         2.86, 3.55 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HG+         3.50    (#   2032:25  Unique         2.31, 2.58 A)
 &rst
  ixpk= 2032, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1366,1367,
 igr2=1369,1370,
 &end
#
#   76 VAL  MGX          93 GLN  HG+         3.50    (#   2033:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#   76 VAL  MGX          93 GLN  HG-         4.50    (#   2034:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#   76 VAL  MGY          93 GLN  HG-         4.50    (#   2035:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#  130 ILE  QG2         129 LYS  HB+         3.50    (#   2036:25  Unique         2.75, 4.68 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1978,1979,1980,
 igr2=1954,1955,
 &end
#
#   70 ALA  MB           93 GLN  HG-         5.50    (#   2037:25  Unique         3.78, 4.98 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1036,1037,1038,
 igr2=1369,1370,
 &end
#
#   70 ALA  MB           93 GLN  HG+         4.50    (#   2038:25  Unique         3.78, 4.98 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1036,1037,1038,
 igr2=1369,1370,
 &end
#
#   95 ILE  HG1-         94 GLU  HA          5.50    (#   2039:25  Unique         4.56, 5.12 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#   95 ILE  HN           94 GLU  HA          3.50    (#   2040:25  Unique         3.56, 3.58 A)
 &rst
  ixpk= 2040, nxpk= 25, iat=1394,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLU  HN           94 GLU  HB+         3.50    (#   2041:25  Unique         2.01, 2.58 A)
 &rst
  ixpk= 2041, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#  118 GLN  HN          118 GLN  HB+         2.80    (#   2042:25  Unique         2.27, 3.04 A)
 &rst
  ixpk= 2042, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1767,1768,
 &end
#
#   95 ILE  HN           94 GLU  HB-         3.50    (#   2043:25  Unique         2.90, 3.56 A)
 &rst
  ixpk= 2043, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#  118 GLN  HA          118 GLN  HB+         3.50    (#   2044:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1767,1768,
 &end
#
#   94 GLU  HA           94 GLU  HB+         2.80    (#   2045:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1383,1384,
 &end
#
#    0 AMB  25-2:2046     0 AMB  25-1:2046   3.50    (#   2046:25  Double Ambig)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1978,1979,1980,1407,1408,1409,
 igr2=1383,1384,1383,1384,
 &end
#
#   76 VAL  HN           95 ILE  HB          3.50    (#   2047:25  Unique         3.53, 3.57 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=1115,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HN           95 ILE  HB          2.80    (#   2048:25  Unique         2.61, 2.70 A)
 &rst
  ixpk= 2048, nxpk= 25, iat=1394,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HA           95 ILE  HB          3.50    (#   2049:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 2049, nxpk= 25, iat=1396,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB+          95 ILE  HB          5.50    (#   2050:25  Unique         5.75, 6.57 A)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1906,1907,
 &end
#
#    0 AMB  25-2:2051    95 ILE  HB          3.50    (#   2051:25  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1386,1387,1383,1384,
 &end
#
#    0 AMB  25-2:2052    95 ILE  HB          3.50    (#   2052:25  Single Ambig)
 &rst
  ixpk= 2052, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1103,1437,1438,1440,1441,
 &end
#
#   95 ILE  HG1-         95 ILE  HB          2.80    (#   2053:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   95 ILE  HG1+         95 ILE  HB          2.80    (#   2054:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#    0 AMB  25-2:2055     0 AMB  25-1:2055   3.50    (#   2055:25  Double Ambig)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1398,1960,1961,
 igr2=1404,1405,1404,1405,
 &end
#
#   94 GLU  HG-          95 ILE  HG1-        2.80    (#   2056:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1386,1387,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:2057     0 AMB  25-1:2057   2.80    (#   2057:25  Double Ambig)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1386,1387,1843,1844,
 igr2=1404,1405,1840,1841,
 &end
#
#   94 GLU  HG+          95 ILE  HG1+        4.50    (#   2059:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1386,1387,
 igr2=1404,1405,
 &end
#
#   95 ILE  HA           95 ILE  HG1-        3.50    (#   2060:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2060, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#   95 ILE  HA           95 ILE  HG1+        3.50    (#   2061:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2061, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#   95 ILE  HN           95 ILE  HG1-        4.50    (#   2062:25  Unique         3.10, 3.75 A)
 &rst
  ixpk= 2062, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   95 ILE  HN           95 ILE  HG1+        5.50    (#   2063:25  Unique         3.10, 3.75 A)
 &rst
  ixpk= 2063, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:2064     0 AMB  25-1:2064   5.50    (#   2064:25  Double Ambig)
 &rst
  ixpk= 2064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1413,1379,
 igr2=1404,1405,1404,1405,
 &end
#
#   95 ILE  HA           95 ILE  QD1         4.50    (#   2065:25  Unique         4.34, 4.71 A)
 &rst
  ixpk= 2065, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1407,1408,1409,
 &end
#
#  129 LYS  HE+          95 ILE  QD1         4.50    (#   2066:25  Unique         2.31, 4.88 A)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1963,1964,
 igr2=1407,1408,1409,
 &end
#
#  126 LEU  HB+          95 ILE  QD1         4.50    (#   2067:25  Unique         3.76, 5.41 A)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1906,1907,
 igr2=1407,1408,1409,
 &end
#
#   94 GLU  HG-          95 ILE  QD1         3.50    (#   2068:25  Unique         3.67, 4.86 A)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1386,1387,
 igr2=1407,1408,1409,
 &end
#
#   77 ILE  QD1          95 ILE  QG2         4.50    (#   2070:25  Unique         2.73, 3.94 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1144,1145,1146,
 igr2=1400,1401,1402,
 &end
#
#   95 ILE  HG1+         95 ILE  QG2         2.80    (#   2071:25  Unique         2.50, 3.56 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1400,1401,1402,
 &end
#
#   97 GLU  HG+          95 ILE  QG2         3.50    (#   2072:25  Unique         2.38, 4.04 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1440,1441,
 igr2=1400,1401,1402,
 &end
#
#   95 ILE  HA           95 ILE  QG2         2.80    (#   2073:25  Unique         2.63, 3.25 A)
 &rst
  ixpk= 2073, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1400,1401,1402,
 &end
#
#   96 PHE  HA           95 ILE  QG2         4.50    (#   2074:25  Unique         3.17, 4.31 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1400,1401,1402,
 &end
#
#   96 PHE  HN           95 ILE  QG2         3.50    (#   2075:25  Unique         2.86, 3.50 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1400,1401,1402,
 &end
#
#   96 PHE  HN           96 PHE  HA          3.50    (#   2076:25  Unique         2.91, 2.94 A)
 &rst
  ixpk= 2076, nxpk= 25, iat=1413,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HD           96 PHE  HA          2.80    (#   2077:25  Unique         2.12, 3.50 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1421,1429,
 &end
#
#   96 PHE  HB+          96 PHE  HA          3.50    (#   2078:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          96 PHE  HA          3.50    (#   2079:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2079, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   76 VAL  HB           96 PHE  HA          4.50    (#   2080:25  Unique         2.55, 2.94 A)
 &rst
  ixpk= 2080, nxpk= 25, iat=1119,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 GLU  HB+          96 PHE  HA          4.50    (#   2081:25  Unique         4.03, 4.79 A)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1437,1438,
 &end
#
#    0 AMB  25-2:2082    96 PHE  HA          4.50    (#   2082:25  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  QD1          96 PHE  HA          5.50    (#   2083:25  Unique         4.03, 5.21 A)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#   91 VAL  HA           96 PHE  HB+         3.50    (#   2084:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 2084, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   91 VAL  HA           96 PHE  HB-         3.50    (#   2085:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#    0 AMB  25-2:2086    96 PHE  HB-         4.50    (#   2086:25  Single Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1396,1350,
 igr2=1417,1418,
 &end
#
#    0 AMB  25-2:2087     0 AMB  25-1:2087   5.50    (#   2087:25  Double Ambig)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1396,1350,
 igr2=1417,1418,1417,1418,
 &end
#
#   96 PHE  HA           96 PHE  HB+         3.50    (#   2088:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HA           96 PHE  HB-         3.50    (#   2089:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HD           96 PHE  HB+         2.80    (#   2090:25  Unique         2.34, 3.12 A)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1421,1429,
 igr2=1417,1418,
 &end
#
#   96 PHE  HD           96 PHE  HB-         2.80    (#   2091:25  Unique         2.34, 3.12 A)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1421,1429,
 igr2=1417,1418,
 &end
#
#   97 GLU  HN           96 PHE  HB+         5.50    (#   2092:25  Unique         4.08, 4.29 A)
 &rst
  ixpk= 2092, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1417,1418,
 &end
#
#   96 PHE  HN           96 PHE  HB+         3.50    (#   2093:25  Unique         2.76, 3.21 A)
 &rst
  ixpk= 2093, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HN           96 PHE  HB-         3.50    (#   2094:25  Unique         2.76, 3.21 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   99 TRP  HE1          97 GLU  HA          5.50    (#   2095:25  Unique         5.03, 5.26 A)
 &rst
  ixpk= 2095, nxpk= 25, iat=1470,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 GLU  HB+          97 GLU  HA          3.50    (#   2097:25  Unique         2.63, 2.87 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1437,1438,
 &end
#
#  127 ILE  QG2         128 ALA  HA          3.50    (#   2098:25  Unique         3.33, 4.26 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,1942, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1927,1928,1929,
 &end
#
#   77 ILE  QG2          97 GLU  HB-         5.50    (#   2099:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1137,1138,1139,
 igr2=1437,1438,
 &end
#
#   77 ILE  QG2          97 GLU  HB+         4.50    (#   2100:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1437,1438,
 &end
#
#   97 GLU  HA           97 GLU  HB-         3.50    (#   2101:25  Unique         2.63, 2.87 A)
 &rst
  ixpk= 2101, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   97 GLU  HA           97 GLU  HB+         3.50    (#   2102:25  Unique         2.63, 2.87 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HD1          97 GLU  HB-         3.50    (#   2103:25  Unique         2.91, 3.93 A)
 &rst
  ixpk= 2103, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HD1          97 GLU  HB+         4.50    (#   2104:25  Unique         2.91, 3.93 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1437,1438,
 &end
#
#   98 ASP  HN           97 GLU  HB-         3.50    (#   2105:25  Unique         2.28, 3.26 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   98 ASP  HN           97 GLU  HB+         5.50    (#   2106:25  Unique         2.28, 3.26 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1437,1438,
 &end
#
#   99 TRP  HE1          97 GLU  HB-         3.50    (#   2107:25  Unique         2.43, 3.10 A)
 &rst
  ixpk= 2107, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HE1          97 GLU  HB+         3.50    (#   2108:25  Unique         2.43, 3.10 A)
 &rst
  ixpk= 2108, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HE1          97 GLU  HG+         5.50    (#   2109:25  Unique         2.44, 3.97 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1440,1441,
 &end
#
#   99 TRP  HE1          97 GLU  HG-         5.50    (#   2110:25  Unique         2.44, 3.97 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1440,1441,
 &end
#
#  121 GLU  HN          121 GLU  HG-         3.50    (#   2111:25  Unique         2.04, 2.82 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1825,1826,
 &end
#
#   97 GLU  HN           97 GLU  HG-         4.50    (#   2112:25  Unique         3.62, 4.30 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1440,1441,
 &end
#
#   97 GLU  HA           97 GLU  HG+         3.50    (#   2113:25  Unique         2.33, 2.82 A)
 &rst
  ixpk= 2113, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1440,1441,
 &end
#
#   97 GLU  HA           97 GLU  HG-         3.50    (#   2114:25  Unique         2.33, 2.82 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1440,1441,
 &end
#
#   97 GLU  HB+          97 GLU  HG+         2.80    (#   2115:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1437,1438,
 igr2=1440,1441,
 &end
#
#    0 AMB  25-2:2116     0 AMB  25-1:2116   2.80    (#   2116:25  Double Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.63, r4= 6.38,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,1803,
      1804,
 igr2=1440,1441,1386,1387,1825,1826,
 &end
#
#   77 ILE  QD1          97 GLU  HG+         4.50    (#   2117:25  Unique         3.68, 4.81 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1144,1145,1146,
 igr2=1440,1441,
 &end
#
#   77 ILE  QD1          97 GLU  HG-         3.50    (#   2118:25  Unique         3.68, 4.81 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1144,1145,1146,
 igr2=1440,1441,
 &end
#
#   98 ASP  HB-          98 ASP  HA          3.50    (#   2119:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2119, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1452,1453,
 &end
#
#  127 ILE  HN          126 LEU  HB+         3.50    (#   2120:25  Unique         2.92, 3.51 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   98 ASP  HN           98 ASP  HB-         3.50    (#   2121:25  Unique         2.82, 3.18 A)
 &rst
  ixpk= 2121, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   98 ASP  HN           98 ASP  HB+         2.80    (#   2122:25  Unique         2.82, 3.18 A)
 &rst
  ixpk= 2122, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1452,1453,
 &end
#
#   96 PHE  HD           98 ASP  HB-         5.50    (#   2123:25  Unique         4.78, 6.91 A)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1421,1429,
 igr2=1452,1453,
 &end
#
#   99 TRP  HZ2         126 LEU  HB+         3.50    (#   2124:25  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   98 ASP  HA           98 ASP  HB-         3.50    (#   2125:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   78 SER  HB+          98 ASP  HB+         3.50    (#   2126:25  Unique         2.33, 4.88 A)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1154,1155,
 igr2=1452,1453,
 &end
#
#  100 GLN  HA           98 ASP  HB+         5.50    (#   2127:25  Unique         5.66, 6.32 A)
 &rst
  ixpk= 2127, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1452,1453,
 &end
#
#  129 LYS  HB+         129 LYS  HE-         3.50    (#   2128:25  Unique         2.28, 4.11 A)
 &rst
  ixpk= 2128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1954,1955,
 igr2=1963,1964,
 &end
#
#  126 LEU  MDY         126 LEU  HB+         3.50    (#   2129:25  Unique         2.26, 3.27 A)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1906,1907,
 &end
#
#   25 LEU  MDX         120 LYS  HE+         2.80    (#   2130:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1809,1810,
 &end
#
#  120 LYS  HG-         120 LYS  HE+         3.50    (#   2131:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1809,1810,
 &end
#
#  120 LYS  HG-         120 LYS  HE-         3.50    (#   2132:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1809,1810,
 &end
#
#   25 LEU  MDX         120 LYS  HE-         3.50    (#   2133:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1809,1810,
 &end
#
#    3 LYS  HB+           3 LYS  HE+         3.50    (#   2134:25  Unique         2.22, 2.89 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  47,  48,
 igr2=  56,  57,
 &end
#
#  124 GLU  HA          120 LYS  HE-         5.50    (#   2135:25  Unique         6.18, 6.90 A)
 &rst
  ixpk= 2135, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1809,1810,
 &end
#
#   96 PHE  HD           98 ASP  HB+         5.50    (#   2136:25  Unique         4.78, 6.91 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1421,1429,
 igr2=1452,1453,
 &end
#
#   99 TRP  HN           99 TRP  HA          4.50    (#   2138:25  Unique         2.97, 2.99 A)
 &rst
  ixpk= 2138, nxpk= 25, iat=1460,1462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 GLN  HN           99 TRP  HA          3.50    (#   2139:25  Unique         2.11, 2.19 A)
 &rst
  ixpk= 2139, nxpk= 25, iat=1484,1462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 GLN  HE2-         99 TRP  HA          4.50    (#   2140:25  Unique         3.02, 4.37 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1496,1497,
 &end
#
#   99 TRP  HD1          99 TRP  HA          2.80    (#   2141:25  Unique         2.31, 2.40 A)
 &rst
  ixpk= 2141, nxpk= 25, iat=1468,1462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 TRP  HB-          99 TRP  HA          3.50    (#   2142:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1464,1465,
 &end
#
#   99 TRP  HB+          99 TRP  HA          3.50    (#   2143:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2143, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1464,1465,
 &end
#
#    0 AMB  25-2:2144    99 TRP  HA          4.50    (#   2144:25  Single Ambig)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1843,1844,1488,1489,
 &end
#
#    0 AMB  25-2:2145    99 TRP  HB-         4.50    (#   2145:25  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1510,1511,1512,1514,1515,1516,1170,1171,1172,1174,
      1175,1176,
 igr2=1464,1465,
 &end
#
#   79 LEU  MDY          99 TRP  HB-         4.50    (#   2146:25  Unique         2.25, 4.43 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1464,1465,
 &end
#
#  119 VAL  MGY          99 TRP  HB+         4.50    (#   2147:25  Unique         4.69, 6.65 A)
 &rst
  ixpk= 2147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1786,1787,1788,1790,1791,1792,
 igr2=1464,1465,
 &end
#
#  101 LEU  HG           99 TRP  HB+         4.50    (#   2148:25  Unique         3.60, 4.87 A)
 &rst
  ixpk= 2148, nxpk= 25, iat=1508,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HA           99 TRP  HB-         3.50    (#   2149:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2149, nxpk= 25, iat=1462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1464,1465,
 &end
#
#   99 TRP  HA           99 TRP  HB+         3.50    (#   2150:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=1462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1464,1465,
 &end
#
#   99 TRP  HE3          99 TRP  HB-         4.50    (#   2151:25  Unique         2.59, 2.97 A)
 &rst
  ixpk= 2151, nxpk= 25, iat=1479,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HE3          99 TRP  HB+         4.50    (#   2152:25  Unique         2.59, 2.97 A)
 &rst
  ixpk= 2152, nxpk= 25, iat=1479,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HN           99 TRP  HB-         4.50    (#   2153:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2153, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HN           99 TRP  HB+         5.50    (#   2154:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2154, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#  101 LEU  HN          100 GLN  HA          3.50    (#   2155:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 2155, nxpk= 25, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 GLN  HA          100 GLN  HG+         3.50    (#   2157:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 2157, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1491,1492,
 &end
#
#  100 GLN  HA          100 GLN  HG-         3.50    (#   2158:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1491,1492,
 &end
#
#  100 GLN  HB-         101 LEU  HA          4.50    (#   2161:25  Unique         3.86, 5.15 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1488,1489,
 &end
#
#  101 LEU  HN          101 LEU  HA          3.50    (#   2162:25  Unique         2.21, 2.81 A)
 &rst
  ixpk= 2162, nxpk= 25, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLU  HN          101 LEU  HB-         4.50    (#   2164:25  Unique         1.89, 3.07 A)
 &rst
  ixpk= 2164, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  102 GLU  HN          101 LEU  HB+         4.50    (#   2165:25  Unique         1.89, 3.07 A)
 &rst
  ixpk= 2165, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  101 LEU  HN          101 LEU  HB-         4.50    (#   2166:25  Unique         2.17, 3.08 A)
 &rst
  ixpk= 2166, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  101 LEU  HN          101 LEU  HB+         4.50    (#   2167:25  Unique         2.17, 3.08 A)
 &rst
  ixpk= 2167, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  101 LEU  HA          101 LEU  HB-         3.50    (#   2168:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#  101 LEU  HA          101 LEU  HB+         3.50    (#   2169:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 2169, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#    0 AMB  25-2:2171     0 AMB  25-1:2171   2.80    (#   2171:25  Double Ambig)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1508,1722,1723,1724,1726,1727,1728,
 igr2=1505,1506,1505,1506,
 &end
#
#    0 AMB  25-2:2172   101 LEU  HB-         2.80    (#   2172:25  Single Ambig)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1=1508,1722,1723,1724,1726,1727,1728,
 igr2=1505,1506,
 &end
#
#  118 GLN  HB+         101 LEU  HG          3.50    (#   2174:25  Unique         2.53, 3.61 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1767,1768,
 &end
#
#   99 TRP  HB+         101 LEU  HG          5.50    (#   2175:25  Unique         3.60, 4.87 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#  119 VAL  HA          101 LEU  HG          4.50    (#   2176:25  Unique         2.73, 3.05 A)
 &rst
  ixpk= 2176, nxpk= 25, iat=1782,1508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HE3         101 LEU  HG          5.50    (#   2177:25  Unique         4.60, 5.08 A)
 &rst
  ixpk= 2177, nxpk= 25, iat=1479,1508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HN          101 LEU  HG          4.50    (#   2178:25  Unique         3.45, 3.89 A)
 &rst
  ixpk= 2178, nxpk= 25, iat=1780,1508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLU  HN          101 LEU  MDX         4.50    (#   2179:25  Unique         2.06, 4.54 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  118 GLN  HB+         101 LEU  MDX         3.50    (#   2180:25  Unique         2.21, 4.28 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  122 ARG  HD-         101 LEU  MDX         4.50    (#   2181:25  Unique         2.14, 4.28 A)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1843,1844,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  118 GLN  HB-         101 LEU  MDX         2.80    (#   2182:25  Unique         2.21, 4.28 A)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1767,1768,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  122 ARG  HG+         101 LEU  MDX         3.50    (#   2183:25  Unique         2.59, 5.05 A)
 &rst
  ixpk= 2183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1840,1841,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  102 GLU  HB-         102 GLU  HA          2.80    (#   2184:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 2184, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1524,1525,
 &end
#
#  103 ASP  HB-         102 GLU  HA          4.50    (#   2185:25  Unique         3.92, 4.38 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1539,1540,
 &end
#
#  103 ASP  HB+         102 GLU  HA          4.50    (#   2186:25  Unique         3.92, 4.38 A)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1539,1540,
 &end
#
#  102 GLU  HN          102 GLU  HA          2.80    (#   2187:25  Unique         2.19, 2.74 A)
 &rst
  ixpk= 2187, nxpk= 25, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HN          102 GLU  HB+         2.80    (#   2188:25  Unique         2.05, 2.96 A)
 &rst
  ixpk= 2188, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1524,1525,
 &end
#
#  102 GLU  HN          102 GLU  HB-         3.50    (#   2189:25  Unique         2.05, 2.96 A)
 &rst
  ixpk= 2189, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1524,1525,
 &end
#
#  103 ASP  HN          102 GLU  HB+         3.50    (#   2190:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 2190, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1524,1525,
 &end
#
#  103 ASP  HN          102 GLU  HB-         4.50    (#   2191:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 2191, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1524,1525,
 &end
#
#    0 AMB  25-2:2193   102 GLU  HB-         2.80    (#   2193:25  Single Ambig)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1522,1548,1549,
 igr2=1524,1525,
 &end
#
#  115 VAL  MGX         102 GLU  HB-         2.80    (#   2194:25  Unique         1.99, 3.86 A)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1722,1723,1724,1726,1727,1728,
 igr2=1524,1525,
 &end
#
#  111 VAL  MGX         102 GLU  HG+         4.50    (#   2195:25  Unique         3.00, 7.00 A)
 &rst
  ixpk= 2195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1527,1528,
 &end
#
#  121 GLU  HN          121 GLU  HG+         3.50    (#   2197:25  Unique         2.04, 2.82 A)
 &rst
  ixpk= 2197, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1825,1826,
 &end
#
#  103 ASP  HN          102 GLU  HG+         3.50    (#   2198:25  Unique         3.55, 4.14 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1527,1528,
 &end
#
#  102 GLU  HN          102 GLU  HG+         3.50    (#   2199:25  Unique         2.32, 3.10 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1527,1528,
 &end
#
#  103 ASP  HN          103 ASP  HA          3.50    (#   2200:25  Unique         2.84, 2.93 A)
 &rst
  ixpk= 2200, nxpk= 25, iat=1535,1537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2202   103 ASP  HA          4.50    (#   2202:25  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1557, 229,
 &end
#
#  103 ASP  HB+         103 ASP  HA          3.50    (#   2203:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2203, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1539,1540,
 &end
#
#  103 ASP  HB-         103 ASP  HA          3.50    (#   2204:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2204, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1539,1540,
 &end
#
#   10 ARG  HB-         103 ASP  HA          4.50    (#   2205:25  Unique         3.89, 4.81 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 171, 172,
 &end
#
#   10 ARG  HG+         103 ASP  HA          4.50    (#   2206:25  Unique         3.34, 5.17 A)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 174, 175,
 &end
#
#  104 PRO  HG+         103 ASP  HA          4.50    (#   2207:25  Unique         3.76, 4.13 A)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#    0 AMB  25-2:2208   103 ASP  HA          4.50    (#   2208:25  Single Ambig)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  103 ASP  HA          103 ASP  HB+         3.50    (#   2209:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2209, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  103 ASP  HA          103 ASP  HB-         3.50    (#   2210:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2210, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  103 ASP  HN          103 ASP  HB+         2.80    (#   2211:25  Unique         2.16, 2.64 A)
 &rst
  ixpk= 2211, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1539,1540,
 &end
#
#  103 ASP  HN          103 ASP  HB-         3.50    (#   2212:25  Unique         2.16, 2.64 A)
 &rst
  ixpk= 2212, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  107 GLN  HE2+        104 PRO  HA          3.50    (#   2213:25  Unique         2.47, 4.29 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1592,1593,
 &end
#
#  107 GLN  HG+         104 PRO  HA          2.80    (#   2214:25  Unique         1.99, 2.62 A)
 &rst
  ixpk= 2214, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1587,1588,
 &end
#
#    0 AMB  25-2:2215   104 PRO  HA          2.80    (#   2215:25  Single Ambig)
 &rst
  ixpk= 2215, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1587,1588,1584,1585,
 &end
#
#  104 PRO  HB+         104 PRO  HA          2.80    (#   2216:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1554,1555,
 &end
#
#  111 VAL  MGX         104 PRO  HA          3.50    (#   2217:25  Unique         2.48, 5.10 A)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   18 ALA  MB           15 SER  HA          3.50    (#   2218:25  Unique         2.47, 3.35 A)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 300, 301, 302,
 &end
#
#  104 PRO  HB-         104 PRO  HA          3.50    (#   2219:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#  112 PHE  HA          104 PRO  HB+         4.50    (#   2222:25  Unique         2.89, 4.10 A)
 &rst
  ixpk= 2222, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1554,1555,
 &end
#
#  104 PRO  HA          104 PRO  HB+         3.50    (#   2223:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2223, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#  112 PHE  HA          104 PRO  HB-         4.50    (#   2224:25  Unique         2.89, 4.10 A)
 &rst
  ixpk= 2224, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1554,1555,
 &end
#
#  104 PRO  HA          104 PRO  HB-         3.50    (#   2225:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#  104 PRO  HD+         104 PRO  HG+         3.50    (#   2227:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HD+         104 PRO  HG-         3.50    (#   2228:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HD-         104 PRO  HG+         3.50    (#   2229:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HD-         104 PRO  HG-         3.50    (#   2230:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HB-         104 PRO  HG+         3.50    (#   2231:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1551,1552,
 &end
#
#  104 PRO  HB-         104 PRO  HG-         3.50    (#   2232:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1551,1552,
 &end
#
#    0 AMB  25-2:2233     0 AMB  25-1:2233   3.50    (#   2233:25  Double Ambig)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 igr2=1548,1549,1548,1549,
 &end
#
#  104 PRO  HG-         104 PRO  HD+         3.50    (#   2234:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#  115 VAL  MGY         104 PRO  HD-         3.50    (#   2235:25  Unique         3.45, 5.65 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1722,1723,1724,1726,1727,1728,
 igr2=1548,1549,
 &end
#
#  104 PRO  HG-         104 PRO  HD-         3.50    (#   2236:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#   10 ARG  HB-         104 PRO  HD+         4.50    (#   2237:25  Unique         2.87, 4.68 A)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 171, 172,
 igr2=1548,1549,
 &end
#
#    0 AMB  25-2:2238     0 AMB  25-1:2238   5.50    (#   2238:25  Double Ambig)
 &rst
  ixpk= 2238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 174, 175,1524,1525,
 igr2=1548,1549,1548,1549,
 &end
#
#    0 AMB  25-2:2239   104 PRO  HD-         5.50    (#   2239:25  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 174, 175,1524,1525,
 igr2=1548,1549,
 &end
#
#   10 ARG  HB-         104 PRO  HD-         4.50    (#   2240:25  Unique         2.87, 4.68 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 171, 172,
 igr2=1548,1549,
 &end
#
#  103 ASP  HA          104 PRO  HD+         3.50    (#   2241:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#  103 ASP  HA          104 PRO  HD-         2.80    (#   2242:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 2242, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1548,1549,
 &end
#
#  105 ASP  HN          104 PRO  HD-         4.50    (#   2245:25  Unique         2.39, 3.66 A)
 &rst
  ixpk= 2245, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#  105 ASP  HN          105 ASP  HA          3.50    (#   2246:25  Unique         2.42, 2.71 A)
 &rst
  ixpk= 2246, nxpk= 25, iat=1561,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2247   105 ASP  HA          4.50    (#   2247:25  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1575,1576,1557,
 &end
#
#    0 AMB  25-2:2249     0 AMB  25-1:2249   3.50    (#   2249:25  Double Ambig)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1068,1548,1549,
 igr2=  56,  57,1565,1566,
 &end
#
#  105 ASP  HA          105 ASP  HB-         3.50    (#   2250:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  105 ASP  HN          105 ASP  HB+         2.80    (#   2251:25  Unique         2.27, 2.58 A)
 &rst
  ixpk= 2251, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1565,1566,
 &end
#
#  105 ASP  HN          105 ASP  HB-         2.80    (#   2252:25  Unique         2.27, 2.58 A)
 &rst
  ixpk= 2252, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1565,1566,
 &end
#
#  106 GLY  HN          106 GLY  HA+         3.50    (#   2253:25  Unique         2.25, 2.52 A)
 &rst
  ixpk= 2253, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1575,1576,
 &end
#
#  106 GLY  HN          106 GLY  HA-         3.50    (#   2254:25  Unique         2.25, 2.52 A)
 &rst
  ixpk= 2254, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1575,1576,
 &end
#
#  107 GLN  HN          106 GLY  HA-         4.50    (#   2255:25  Unique         2.58, 3.26 A)
 &rst
  ixpk= 2255, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1575,1576,
 &end
#
#    0 AMB  25-2:2260   108 SER  HA          4.50    (#   2260:25  Single Ambig)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1615,1612,1613,
 &end
#
#  107 GLN  HB+         108 SER  HA          4.50    (#   2261:25  Unique         4.31, 4.92 A)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1584,1585,
 &end
#
#  108 SER  HB-         108 SER  HA          3.50    (#   2262:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1601,1602,
 &end
#
#  108 SER  HN          108 SER  HA          3.50    (#   2264:25  Unique         2.88, 2.90 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=1597,1599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  HN          108 SER  HB+         4.50    (#   2265:25  Unique         2.44, 3.16 A)
 &rst
  ixpk= 2265, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1601,1602,
 &end
#
#  108 SER  HN          108 SER  HB+         3.50    (#   2266:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 2266, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:2268     0 AMB  25-1:2268   4.50    (#   2268:25  Double Ambig)
 &rst
  ixpk= 2268, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1631,1632,1584,1585,
 igr2=1601,1602,1601,1602,
 &end
#
#    0 AMB  25-2:2269     0 AMB  25-1:2269   4.50    (#   2269:25  Double Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1612,1613,1615,
 igr2=1601,1602,1601,1602,
 &end
#
#   32 VAL  MGY          23 LYS  HA          2.80    (#   2270:25  Unique         2.17, 3.89 A)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#  112 PHE  HB+         109 LEU  HA          2.80    (#   2271:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB-         109 LEU  HA          3.50    (#   2272:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  112 PHE  HN          109 LEU  HA          3.50    (#   2274:25  Unique         3.12, 3.27 A)
 &rst
  ixpk= 2274, nxpk= 25, iat=1658,1610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  HN          109 LEU  HB+         3.50    (#   2275:25  Unique         2.45, 3.05 A)
 &rst
  ixpk= 2275, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  HN          109 LEU  HB-         4.50    (#   2276:25  Unique         2.45, 3.05 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1612,1613,
 &end
#
#  110 GLU  HN          109 LEU  HB+         4.50    (#   2277:25  Unique         2.76, 3.32 A)
 &rst
  ixpk= 2277, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1612,1613,
 &end
#
#  110 GLU  HN          109 LEU  HB-         5.50    (#   2278:25  Unique         2.76, 3.32 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1612,1613,
 &end
#
#    0 AMB  25-2:2280     0 AMB  25-1:2280   4.50    (#   2280:25  Double Ambig)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1601,1602,1599, 729,
 igr2=1612,1613,1612,1613,1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HB+         3.50    (#   2281:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HB-         3.50    (#   2282:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  MDY         109 LEU  HB-         3.50    (#   2284:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HG          3.50    (#   2285:25  Unique         3.26, 3.31 A)
 &rst
  ixpk= 2285, nxpk= 25, iat=1610,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 SER  HA          109 LEU  HG          5.50    (#   2286:25  Unique         4.03, 4.20 A)
 &rst
  ixpk= 2286, nxpk= 25, iat=1599,1615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 LEU  HN          109 LEU  HG          3.50    (#   2287:25  Unique         2.34, 2.47 A)
 &rst
  ixpk= 2287, nxpk= 25, iat=1608,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HG+         109 LEU  MDY         3.50    (#   2288:25  Unique         2.88, 5.16 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 734, 735,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  112 PHE  HB+         109 LEU  MDY         3.50    (#   2289:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1662,1663,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  108 SER  HA          109 LEU  MDY         4.50    (#   2290:25  Unique         3.96, 5.99 A)
 &rst
  ixpk= 2290, nxpk= 25, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  112 PHE  HD          109 LEU  MDY         4.50    (#   2291:25  Unique         3.58, 6.79 A)
 &rst
  ixpk= 2291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1666,1674,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:2292   110 GLU  HA          2.80    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1627,1702,
 &end
#
#    0 AMB  25-2:2294   110 GLU  HB-         2.80    (#   2294:25  Single Ambig)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1629,1601,1602,
 igr2=1631,1632,
 &end
#
#    0 AMB  25-2:2295     0 AMB  25-1:2295   2.80    (#   2295:25  Double Ambig)
 &rst
  ixpk= 2295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1629,1601,1602,
 igr2=1631,1632,1631,1632,
 &end
#
#  111 VAL  HN          110 GLU  HB-         3.50    (#   2296:25  Unique         2.38, 3.11 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1631,1632,
 &end
#
#  111 VAL  HN          110 GLU  HB+         3.50    (#   2297:25  Unique         2.38, 3.11 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1631,1632,
 &end
#
#   52 GLU  HN           52 GLU  HG-         2.80    (#   2299:25  Unique         2.49, 3.01 A)
 &rst
  ixpk= 2299, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 783, 784,
 &end
#
#  113 ARG  HD+         110 GLU  HG+         3.50    (#   2301:25  Unique         3.64, 5.14 A)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1688,1689,
 igr2=1634,1635,
 &end
#
#    0 AMB  25-2:2302   111 VAL  HA          4.50    (#   2302:25  Single Ambig)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1631,1632,1584,1585,1587,1588,
 &end
#
#  111 VAL  HB          111 VAL  HA          3.50    (#   2303:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=1646,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 GLU  HG+         111 VAL  HA          5.50    (#   2304:25  Unique         6.14, 6.31 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1634,1635,
 &end
#
#  111 VAL  HN          111 VAL  HA          3.50    (#   2305:25  Unique         2.87, 2.88 A)
 &rst
  ixpk= 2305, nxpk= 25, iat=1642,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HN          111 VAL  HA          4.50    (#   2306:25  Unique         3.58, 3.61 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=1658,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 THR  HN          111 VAL  HA          3.50    (#   2307:25  Unique         2.89, 3.06 A)
 &rst
  ixpk= 2307, nxpk= 25, iat=1702,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          111 VAL  HA          4.50    (#   2308:25  Unique         3.54, 3.60 A)
 &rst
  ixpk= 2308, nxpk= 25, iat=1716,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 SER  HN          111 VAL  HB          3.50    (#   2309:25  Unique         3.15, 3.41 A)
 &rst
  ixpk= 2309, nxpk= 25, iat=1597,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HN          111 VAL  HB          3.50    (#   2310:25  Unique         2.70, 2.83 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=1658,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HD           35 CYS  HB-         4.50    (#   2311:25  Unique         2.29, 4.23 A)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1006,1014,
 igr2= 533, 534,
 &end
#
#    0 AMB  25-2:2313     0 AMB  25-1:2313   2.80    (#   2313:25  Double Ambig)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1859,1557,
 igr2=1861,1646,
 &end
#
#  104 PRO  HA          111 VAL  MGX         3.50    (#   2315:25  Unique         2.48, 5.10 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  114 THR  HB          111 VAL  MGX         4.50    (#   2316:25  Unique         3.43, 4.86 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HN          111 VAL  MGX         5.50    (#   2317:25  Unique         2.14, 3.87 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  107 GLN  HE2+        111 VAL  MGX         5.50    (#   2318:25  Unique         2.20, 3.96 A)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1592,1593,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:2320   119 VAL  MGX         4.50    (#   2320:25  Single Ambig)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1833, 340,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   21 PHE  HD          119 VAL  MGX         2.80    (#   2321:25  Unique         2.25, 6.44 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 336, 344,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HA          119 VAL  MGX         3.50    (#   2323:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  104 PRO  HB-         112 PHE  HA          3.50    (#   2324:25  Unique         2.89, 4.10 A)
 &rst
  ixpk= 2324, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#  111 VAL  MGX         112 PHE  HA          4.50    (#   2325:25  Unique         3.74, 5.87 A)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:2326   112 PHE  HA          3.50    (#   2326:25  Single Ambig)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1722,1723,1724,1726,1727,1728,1554,1555,
 &end
#
#  104 PRO  HG-         112 PHE  HA          4.50    (#   2327:25  Unique         3.96, 4.76 A)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  112 PHE  HB-         112 PHE  HA          3.50    (#   2329:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB+         112 PHE  HA          3.50    (#   2330:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  112 PHE  HD          112 PHE  HA          3.50    (#   2331:25  Unique         2.77, 3.51 A)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#  112 PHE  HN          112 PHE  HA          3.50    (#   2332:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 2332, nxpk= 25, iat=1658,1660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2333   112 PHE  HA          3.50    (#   2333:25  Single Ambig)
 &rst
  ixpk= 2333, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1678,1732,
 &end
#
#  113 ARG  HN          112 PHE  HB+         3.50    (#   2334:25  Unique         2.57, 2.98 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  113 ARG  HN          112 PHE  HB-         3.50    (#   2335:25  Unique         2.57, 2.98 A)
 &rst
  ixpk= 2335, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HN          112 PHE  HB-         3.50    (#   2336:25  Unique         2.19, 2.98 A)
 &rst
  ixpk= 2336, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HN          112 PHE  HB+         3.50    (#   2337:25  Unique         2.19, 2.98 A)
 &rst
  ixpk= 2337, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HD          112 PHE  HB+         3.50    (#   2338:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1666,1674,
 igr2=1662,1663,
 &end
#
#  109 LEU  HA          112 PHE  HB+         3.50    (#   2339:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  109 LEU  HA          112 PHE  HB-         3.50    (#   2340:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2340, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HA          112 PHE  HB+         3.50    (#   2341:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HA          112 PHE  HB-         3.50    (#   2342:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2342, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#   49 MET  HG+         112 PHE  HB+         3.50    (#   2343:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 734, 735,
 igr2=1662,1663,
 &end
#
#   49 MET  HG+         112 PHE  HB-         2.80    (#   2344:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 734, 735,
 igr2=1662,1663,
 &end
#
#   49 MET  HB+         112 PHE  HB-         4.50    (#   2345:25  Unique         2.77, 4.00 A)
 &rst
  ixpk= 2345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1662,1663,
 &end
#
#   49 MET  ME          112 PHE  HB+         3.50    (#   2346:25  Unique         4.02, 4.96 A)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 738, 739, 740,
 igr2=1662,1663,
 &end
#
#  109 LEU  MDY         112 PHE  HB+         4.50    (#   2347:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 2347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1662,1663,
 &end
#
#  109 LEU  MDY         112 PHE  HB-         5.50    (#   2348:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 2348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1662,1663,
 &end
#
#   45 THR  MG2         112 PHE  HB+         4.50    (#   2349:25  Unique         3.26, 4.91 A)
 &rst
  ixpk= 2349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 680, 681, 682,
 igr2=1662,1663,
 &end
#
#   45 THR  MG2         112 PHE  HB-         5.50    (#   2350:25  Unique         3.26, 4.91 A)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 680, 681, 682,
 igr2=1662,1663,
 &end
#
#  113 ARG  HG+         113 ARG  HA          3.50    (#   2351:25  Unique         2.62, 3.09 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1685,1686,
 &end
#
#  116 ARG  HB+         113 ARG  HA          2.80    (#   2352:25  Unique         2.87, 3.65 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#    0 AMB  25-2:2353     0 AMB  25-1:2353   2.80    (#   2353:25  Double Ambig)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1873,1678,
 igr2=1877,1878,1682,1683,
 &end
#
#  114 THR  HN          113 ARG  HB+         3.50    (#   2354:25  Unique         2.43, 3.22 A)
 &rst
  ixpk= 2354, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1682,1683,
 &end
#
#  113 ARG  HD+         113 ARG  HB+         2.80    (#   2355:25  Unique         2.39, 2.94 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1688,1689,
 igr2=1682,1683,
 &end
#
#  113 ARG  HG+         113 ARG  HB+         2.80    (#   2356:25  Unique         2.20, 2.76 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1685,1686,
 igr2=1682,1683,
 &end
#
#    0 AMB  25-2:2357   114 THR  HA          3.50    (#   2357:25  Single Ambig)
 &rst
  ixpk= 2357, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1739,1740,1682,1683,1767,1768,
 &end
#
#  114 THR  HB          114 THR  HA          3.50    (#   2358:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2358, nxpk= 25, iat=1706,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2360   114 THR  HA          4.50    (#   2360:25  Single Ambig)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1756,1763,
 &end
#
#  114 THR  HN          114 THR  HA          3.50    (#   2361:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          114 THR  HA          4.50    (#   2362:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 2362, nxpk= 25, iat=1716,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 VAL  HN          114 THR  HB          3.50    (#   2363:25  Unique         2.71, 2.77 A)
 &rst
  ixpk= 2363, nxpk= 25, iat=1716,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HN          114 THR  HB          3.50    (#   2364:25  Unique         2.44, 2.50 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=1702,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HA          114 THR  HB          3.50    (#   2366:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2366, nxpk= 25, iat=1704,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  HA          114 THR  HB          2.80    (#   2367:25  Unique         2.25, 2.43 A)
 &rst
  ixpk= 2367, nxpk= 25, iat=1644,1706, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2368   114 THR  HB          5.50    (#   2368:25  Single Ambig)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1682,1683,1720,1767,1768,
 &end
#
#  115 VAL  MGY         114 THR  HB          3.50    (#   2369:25  Unique         3.40, 5.68 A)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1722,1723,1724,1726,1727,1728,
 &end
#
#  111 VAL  MGX         114 THR  HB          4.50    (#   2370:25  Unique         3.43, 4.86 A)
 &rst
  ixpk= 2370, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  118 GLN  HG-         114 THR  MG2         3.50    (#   2372:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1770,1771,
 igr2=1708,1709,1710,
 &end
#
#  118 GLN  HG+         114 THR  MG2         3.50    (#   2373:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1770,1771,
 igr2=1708,1709,1710,
 &end
#
#  102 GLU  HB+         114 THR  MG2         5.50    (#   2374:25  Unique         4.77, 6.79 A)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1524,1525,
 igr2=1708,1709,1710,
 &end
#
#  110 GLU  HB+         114 THR  MG2         5.50    (#   2375:25  Unique         6.05, 7.34 A)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1631,1632,
 igr2=1708,1709,1710,
 &end
#
#  111 VAL  HA          114 THR  MG2         4.50    (#   2376:25  Unique         4.26, 4.87 A)
 &rst
  ixpk= 2376, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#  118 GLN  HE2+        114 THR  MG2         3.50    (#   2377:25  Unique         2.23, 3.81 A)
 &rst
  ixpk= 2377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1775,1776,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  25-2:2379   115 VAL  HA          3.50    (#   2379:25  Single Ambig)
 &rst
  ixpk= 2379, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1763,1756,
 &end
#
#  118 GLN  HB+         115 VAL  HA          3.50    (#   2380:25  Unique         2.74, 3.79 A)
 &rst
  ixpk= 2380, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1767,1768,
 &end
#
#  102 GLU  HB+         115 VAL  HA          3.50    (#   2382:25  Unique         3.19, 4.37 A)
 &rst
  ixpk= 2382, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1524,1525,
 &end
#
#  114 THR  MG2         115 VAL  HA          3.50    (#   2383:25  Unique         3.59, 4.69 A)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1708,1709,1710,
 &end
#
#    0 AMB  25-2:2384     0 AMB  25-1:2384   4.50    (#   2384:25  Double Ambig)
 &rst
  ixpk= 2384, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1551,1552,1354,1355,1356,
 igr2=1720,1286,1287,
 &end
#
#  116 ARG  HN          115 VAL  HB          2.80    (#   2385:25  Unique         2.45, 2.71 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=1732,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 PRO  HD+         115 VAL  MGX         3.50    (#   2386:25  Unique         3.45, 5.65 A)
 &rst
  ixpk= 2386, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1548,1549,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:2387   115 VAL  MGX         3.50    (#   2387:25  Single Ambig)
 &rst
  ixpk= 2387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1767,1768,1784,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  102 GLU  HG+         115 VAL  MGX         3.50    (#   2388:25  Unique         2.44, 5.77 A)
 &rst
  ixpk= 2388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1527,1528,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  102 GLU  HG+         115 VAL  MGY         3.50    (#   2389:25  Unique         2.44, 5.77 A)
 &rst
  ixpk= 2389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1527,1528,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  104 PRO  HD+         115 VAL  MGY         3.50    (#   2390:25  Unique         3.45, 5.65 A)
 &rst
  ixpk= 2390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1548,1549,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  114 THR  HB          115 VAL  MGY         4.50    (#   2391:25  Unique         3.40, 5.68 A)
 &rst
  ixpk= 2391, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HA          115 VAL  MGY         2.80    (#   2392:25  Unique         2.28, 3.15 A)
 &rst
  ixpk= 2392, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:2394   115 VAL  MGY         4.50    (#   2394:25  Single Ambig)
 &rst
  ixpk= 2394, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1520,1780,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  116 ARG  HN          116 ARG  HA          3.50    (#   2395:25  Unique         2.74, 2.79 A)
 &rst
  ixpk= 2395, nxpk= 25, iat=1732,1734, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HE          116 ARG  HA          4.50    (#   2396:25  Unique         2.37, 4.72 A)
 &rst
  ixpk= 2396, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 338, 342,
 &end
#
#  119 VAL  HB          116 ARG  HA          2.80    (#   2397:25  Unique         2.55, 2.72 A)
 &rst
  ixpk= 2397, nxpk= 25, iat=1784,1734, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2398   116 ARG  HA          2.80    (#   2398:25  Single Ambig)
 &rst
  ixpk= 2398, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1739,1740, 283, 284,
 &end
#
#    0 AMB  25-2:2399   116 ARG  HA          3.50    (#   2399:25  Single Ambig)
 &rst
  ixpk= 2399, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  119 VAL  MGY         116 ARG  HA          3.50    (#   2400:25  Unique         3.25, 4.44 A)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  113 ARG  HA          116 ARG  HB+         3.50    (#   2403:25  Unique         2.87, 3.65 A)
 &rst
  ixpk= 2403, nxpk= 25, iat=1680,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  113 ARG  HA          116 ARG  HB-         3.50    (#   2404:25  Unique         2.87, 3.65 A)
 &rst
  ixpk= 2404, nxpk= 25, iat=1680,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HA          116 ARG  HB-         3.50    (#   2405:25  Unique         2.18, 2.52 A)
 &rst
  ixpk= 2405, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  117 GLY  HN          116 ARG  HB+         3.50    (#   2407:25  Unique         3.34, 3.85 A)
 &rst
  ixpk= 2407, nxpk= 25, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  117 GLY  HN          116 ARG  HB-         4.50    (#   2408:25  Unique         3.34, 3.85 A)
 &rst
  ixpk= 2408, nxpk= 25, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1736,1737,
 &end
#
#  116 ARG  HN          116 ARG  HB+         3.50    (#   2409:25  Unique         1.96, 2.61 A)
 &rst
  ixpk= 2409, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HN          116 ARG  HB-         3.50    (#   2410:25  Unique         1.96, 2.61 A)
 &rst
  ixpk= 2410, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HG-         117 GLY  HA+         4.50    (#   2411:25  Unique         3.28, 3.78 A)
 &rst
  ixpk= 2411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1739,1740,
 igr2=1758,1759,
 &end
#
#    0 AMB  25-2:2412   117 GLY  HA-         5.50    (#   2412:25  Single Ambig)
 &rst
  ixpk= 2412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1739,1740,1767,1768,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB+         117 GLY  HA+         3.50    (#   2413:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB+         117 GLY  HA-         3.50    (#   2414:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB-         117 GLY  HA+         4.50    (#   2415:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2415, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB-         117 GLY  HA-         4.50    (#   2416:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  121 GLU  HN          118 GLN  HA          4.50    (#   2418:25  Unique         2.89, 3.71 A)
 &rst
  ixpk= 2418, nxpk= 25, iat=1818,1765, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  HN          118 GLN  HA          3.50    (#   2419:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=1780,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HN          118 GLN  HB+         4.50    (#   2420:25  Unique         2.58, 3.32 A)
 &rst
  ixpk= 2420, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1767,1768,
 &end
#
#  120 LYS  HG+         118 GLN  HG+         5.50    (#   2421:25  Unique         6.36, 7.34 A)
 &rst
  ixpk= 2421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1803,1804,
 igr2=1770,1771,
 &end
#
#  120 LYS  HG+         118 GLN  HG-         5.50    (#   2422:25  Unique         6.36, 7.34 A)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1803,1804,
 igr2=1770,1771,
 &end
#
#  114 THR  MG2         118 GLN  HG-         3.50    (#   2423:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1708,1709,1710,
 igr2=1770,1771,
 &end
#
#  114 THR  MG2         118 GLN  HG+         3.50    (#   2424:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1708,1709,1710,
 igr2=1770,1771,
 &end
#
#  118 GLN  HB-         118 GLN  HG+         2.80    (#   2425:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2425, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1767,1768,
 igr2=1770,1771,
 &end
#
#  115 VAL  HA          118 GLN  HG+         3.50    (#   2428:25  Unique         2.72, 4.08 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#    0 AMB  25-2:2429     0 AMB  25-1:2429   3.50    (#   2429:25  Double Ambig)
 &rst
  ixpk= 2429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 281,1718,
 igr2= 283, 284,1770,1771,
 &end
#
#  118 GLN  HA          118 GLN  HG-         2.80    (#   2430:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 2430, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1770,1771,
 &end
#
#  118 GLN  HA          118 GLN  HG+         3.50    (#   2431:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 2431, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2-        118 GLN  HG+         4.50    (#   2432:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2-        118 GLN  HG-         4.50    (#   2433:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2+        118 GLN  HG+         3.50    (#   2434:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2434, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2+        118 GLN  HG-         3.50    (#   2435:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HN          118 GLN  HG+         3.50    (#   2436:25  Unique         1.85, 2.77 A)
 &rst
  ixpk= 2436, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#  118 GLN  HN          118 GLN  HG-         3.50    (#   2437:25  Unique         1.85, 2.77 A)
 &rst
  ixpk= 2437, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#    0 AMB  25-2:2438     0 AMB  25-1:2438   5.50    (#   2438:25  Double Ambig)
 &rst
  ixpk= 2438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1780,1520,
 igr2=1770,1771,1770,1771,
 &end
#
#  119 VAL  HN          119 VAL  HA          3.50    (#   2439:25  Unique         2.86, 2.89 A)
 &rst
  ixpk= 2439, nxpk= 25, iat=1780,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LYS  HN          119 VAL  HA          4.50    (#   2440:25  Unique         3.54, 3.57 A)
 &rst
  ixpk= 2440, nxpk= 25, iat=1796,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HN          119 VAL  HA          3.50    (#   2441:25  Unique         3.19, 3.43 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=1833,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HZ3         119 VAL  HA          5.50    (#   2442:25  Unique         4.61, 4.92 A)
 &rst
  ixpk= 2442, nxpk= 25, iat=1477,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HB          119 VAL  HA          3.50    (#   2444:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 2444, nxpk= 25, iat=1784,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 ARG  HD-         119 VAL  HA          4.50    (#   2445:25  Unique         2.86, 3.92 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#  122 ARG  HD+         119 VAL  HA          5.50    (#   2446:25  Unique         2.86, 3.92 A)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1843,1844,
 &end
#
#    0 AMB  25-2:2447   119 VAL  HA          5.50    (#   2447:25  Single Ambig)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1767,1768,1822,1823,
 &end
#
#  119 VAL  MGY         119 VAL  HA          2.80    (#   2450:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  122 ARG  HB+         119 VAL  HA          3.50    (#   2451:25  Unique         2.48, 3.84 A)
 &rst
  ixpk= 2451, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB-         119 VAL  HA          4.50    (#   2452:25  Unique         2.48, 3.84 A)
 &rst
  ixpk= 2452, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1837,1838,
 &end
#
#  119 VAL  HA          119 VAL  HB          3.50    (#   2453:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 2453, nxpk= 25, iat=1782,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HE          119 VAL  HB          3.50    (#   2454:25  Unique         3.26, 5.51 A)
 &rst
  ixpk= 2454, nxpk= 25, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 338, 342,
 &end
#
#  120 LYS  HN          119 VAL  HB          2.80    (#   2455:25  Unique         2.58, 2.80 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=1796,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 GLN  HB-         119 VAL  MGY         3.50    (#   2456:25  Unique         3.26, 6.21 A)
 &rst
  ixpk= 2456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   17 MET  HB-         119 VAL  MGY         3.50    (#   2457:25  Unique         2.87, 5.44 A)
 &rst
  ixpk= 2457, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 283, 284,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   14 ARG  HA          119 VAL  MGY         3.50    (#   2458:25  Unique         2.17, 4.29 A)
 &rst
  ixpk= 2458, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  116 ARG  HA          119 VAL  MGY         4.50    (#   2459:25  Unique         3.25, 4.44 A)
 &rst
  ixpk= 2459, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:2460   119 VAL  MGY         5.50    (#   2460:25  Single Ambig)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1763,1756,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:2461   120 LYS  HA          3.50    (#   2461:25  Single Ambig)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  120 LYS  HN          120 LYS  HA          3.50    (#   2462:25  Unique         2.71, 2.74 A)
 &rst
  ixpk= 2462, nxpk= 25, iat=1796,1798, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HN          120 LYS  HA          4.50    (#   2463:25  Unique         3.52, 3.55 A)
 &rst
  ixpk= 2463, nxpk= 25, iat=1818,1798, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HD          120 LYS  HA          4.50    (#   2464:25  Unique         2.84, 4.65 A)
 &rst
  ixpk= 2464, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#    0 AMB  25-2:2465   120 LYS  HA          4.50    (#   2465:25  Single Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1758,1759,1859,
 &end
#
#   21 PHE  HB+         120 LYS  HA          4.50    (#   2466:25  Unique         3.06, 3.84 A)
 &rst
  ixpk= 2466, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#  123 VAL  HB          120 LYS  HA          3.50    (#   2467:25  Unique         2.63, 2.82 A)
 &rst
  ixpk= 2467, nxpk= 25, iat=1861,1798, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2468   120 LYS  HA          2.80    (#   2468:25  Single Ambig)
 &rst
  ixpk= 2468, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1806,1807,1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HA          3.50    (#   2469:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2469, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  120 LYS  HB-         120 LYS  HA          3.50    (#   2470:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2470, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1800,1801,
 &end
#
#  120 LYS  HG-         120 LYS  HA          3.50    (#   2471:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2471, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  120 LYS  HG-         120 LYS  HB+         3.50    (#   2472:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HG-         120 LYS  HB-         3.50    (#   2473:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HB-         2.80    (#   2474:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2474, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HB+         3.50    (#   2475:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HA          120 LYS  HB-         3.50    (#   2476:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2476, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HA          120 LYS  HB+         3.50    (#   2477:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2477, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  117 GLY  HA-         120 LYS  HB-         4.50    (#   2478:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1758,1759,
 igr2=1800,1801,
 &end
#
#  117 GLY  HA+         120 LYS  HB+         4.50    (#   2480:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1758,1759,
 igr2=1800,1801,
 &end
#
#  121 GLU  HN          120 LYS  HB+         3.50    (#   2481:25  Unique         2.20, 3.01 A)
 &rst
  ixpk= 2481, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  121 GLU  HN          120 LYS  HB-         3.50    (#   2482:25  Unique         2.20, 3.01 A)
 &rst
  ixpk= 2482, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HN          120 LYS  HB-         3.50    (#   2483:25  Unique         2.04, 3.01 A)
 &rst
  ixpk= 2483, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HN          120 LYS  HB+         3.50    (#   2484:25  Unique         2.04, 3.01 A)
 &rst
  ixpk= 2484, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HE-         120 LYS  HG+         3.50    (#   2485:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2485, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810,
 igr2=1803,1804,
 &end
#
#  120 LYS  HA          120 LYS  HG+         3.50    (#   2486:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2486, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1803,1804,
 &end
#
#  120 LYS  HA          120 LYS  HG-         3.50    (#   2487:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2487, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1803,1804,
 &end
#
#  120 LYS  HE-         120 LYS  HG-         4.50    (#   2488:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1809,1810,
 igr2=1803,1804,
 &end
#
#    0 AMB  25-2:2489   120 LYS  HG-         3.50    (#   2489:25  Single Ambig)
 &rst
  ixpk= 2489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1800,1801,1806,1807,
 igr2=1803,1804,
 &end
#
#  120 LYS  HB-         120 LYS  HG+         2.80    (#   2490:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2490, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1800,1801,
 igr2=1803,1804,
 &end
#
#  120 LYS  HB-         120 LYS  HG-         3.50    (#   2491:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2491, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1803,1804,
 &end
#
#  120 LYS  HG-         120 LYS  HD+         3.50    (#   2492:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG-         120 LYS  HD-         3.50    (#   2493:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HB-         120 LYS  HD+         3.50    (#   2494:25  Unique         2.32, 3.69 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1806,1807,
 &end
#
#  120 LYS  HB-         120 LYS  HD-         3.50    (#   2495:25  Unique         2.32, 3.69 A)
 &rst
  ixpk= 2495, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG+         120 LYS  HD+         2.80    (#   2496:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG+         120 LYS  HD-         3.50    (#   2497:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2497, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HE-         120 LYS  HD+         2.80    (#   2498:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#  120 LYS  HE-         120 LYS  HD-         2.80    (#   2499:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 2499, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#  121 GLU  HN          120 LYS  HD+         5.50    (#   2502:25  Unique         4.50, 5.51 A)
 &rst
  ixpk= 2502, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1806,1807,
 &end
#
#   21 PHE  HE          120 LYS  HD-         5.50    (#   2503:25  Unique         3.04, 4.43 A)
 &rst
  ixpk= 2503, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 338, 342,
 igr2=1806,1807,
 &end
#
#    0 AMB  25-2:2504   121 GLU  HA          3.50    (#   2504:25  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1873,1857,
 &end
#
#  125 ASN  HN          121 GLU  HA          4.50    (#   2505:25  Unique         3.76, 3.88 A)
 &rst
  ixpk= 2505, nxpk= 25, iat=1888,1820, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2506   121 GLU  HA          5.50    (#   2506:25  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1806,1807,1806,1807,
 &end
#
#  120 LYS  HG+         121 GLU  HA          5.50    (#   2507:25  Unique         3.25, 5.77 A)
 &rst
  ixpk= 2507, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1803,1804,
 &end
#
#  122 ARG  HB-         122 ARG  HA          3.50    (#   2508:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2508, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB+         122 ARG  HA          3.50    (#   2509:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2509, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HG+         122 ARG  HA          3.50    (#   2510:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 2510, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HD+         122 ARG  HA          3.50    (#   2511:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2511, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#  122 ARG  HD-         122 ARG  HA          3.50    (#   2512:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2512, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#  125 ASN  HB+         122 ARG  HA          2.80    (#   2513:25  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2513, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#  122 ARG  HN          122 ARG  HA          3.50    (#   2514:25  Unique         2.89, 2.93 A)
 &rst
  ixpk= 2514, nxpk= 25, iat=1833,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HD2+        122 ARG  HA          4.50    (#   2515:25  Unique         3.00, 4.06 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1897,1898,
 &end
#
#  125 ASN  HN          122 ARG  HA          3.50    (#   2516:25  Unique         3.18, 3.34 A)
 &rst
  ixpk= 2516, nxpk= 25, iat=1888,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2517   122 ARG  HA          3.50    (#   2517:25  Single Ambig)
 &rst
  ixpk= 2517, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  122 ARG  HN          122 ARG  HB+         4.50    (#   2518:25  Unique         2.33, 3.05 A)
 &rst
  ixpk= 2518, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HN          122 ARG  HB-         4.50    (#   2519:25  Unique         2.33, 3.05 A)
 &rst
  ixpk= 2519, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HA          122 ARG  HB+         5.50    (#   2520:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2520, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1837,1838,
 &end
#
#  122 ARG  HA          122 ARG  HB-         4.50    (#   2521:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2521, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HD+         122 ARG  HB-         5.50    (#   2522:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1843,1844,
 igr2=1837,1838,
 &end
#
#  122 ARG  HG-         122 ARG  HB-         3.50    (#   2523:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1837,1838,
 &end
#
#  122 ARG  HB-         122 ARG  HD-         4.50    (#   2527:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  122 ARG  HB-         122 ARG  HD+         4.50    (#   2528:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  101 LEU  MDX         122 ARG  HD-         2.80    (#   2529:25  Unique         2.14, 4.28 A)
 &rst
  ixpk= 2529, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1843,1844,
 &end
#
#  122 ARG  HG-         122 ARG  HD-         3.50    (#   2530:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2530, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HG+         122 ARG  HD-         3.50    (#   2531:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HG+         122 ARG  HD+         3.50    (#   2532:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HB+         122 ARG  HD+         3.50    (#   2533:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2533, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  122 ARG  HA          122 ARG  HD-         4.50    (#   2534:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2534, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1843,1844,
 &end
#
#  122 ARG  HA          122 ARG  HD+         3.50    (#   2535:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2535, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1843,1844,
 &end
#
#  122 ARG  HN          122 ARG  HD-         5.50    (#   2538:25  Unique         2.06, 3.17 A)
 &rst
  ixpk= 2538, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1843,1844,
 &end
#
#   99 TRP  HZ2         126 LEU  HB-         3.50    (#   2539:25  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2539, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   99 TRP  HH2         126 LEU  HB-         4.50    (#   2540:25  Unique         2.12, 2.71 A)
 &rst
  ixpk= 2540, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1906,1907,
 &end
#
#  126 LEU  HN          126 LEU  HB-         3.50    (#   2541:25  Unique         2.08, 2.60 A)
 &rst
  ixpk= 2541, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  127 ILE  HN          126 LEU  HB-         4.50    (#   2542:25  Unique         2.92, 3.51 A)
 &rst
  ixpk= 2542, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1906,1907,
 &end
#
#    0 AMB  25-2:2543   123 VAL  HA          3.50    (#   2543:25  Single Ambig)
 &rst
  ixpk= 2543, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  126 LEU  HN          123 VAL  HA          3.50    (#   2544:25  Unique         3.55, 3.58 A)
 &rst
  ixpk= 2544, nxpk= 25, iat=1902,1859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HZ2         123 VAL  HA          4.50    (#   2545:25  Unique         4.11, 4.21 A)
 &rst
  ixpk= 2545, nxpk= 25, iat=1473,1859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HH2         123 VAL  HA          2.80    (#   2546:25  Unique         2.06, 2.13 A)
 &rst
  ixpk= 2546, nxpk= 25, iat=1475,1859, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 LEU  HB+         123 VAL  HA          2.80    (#   2547:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 2547, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#  123 VAL  HB          123 VAL  HA          3.50    (#   2548:25  Unique         2.99, 3.01 A)
 &rst
  ixpk= 2548, nxpk= 25, iat=1861,1859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB-         123 VAL  HA          3.50    (#   2549:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 2549, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  126 LEU  MDY         123 VAL  HA          5.50    (#   2550:25  Unique         2.82, 4.52 A)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#   18 ALA  MB          123 VAL  MGY         3.50    (#   2551:25  Unique         2.37, 4.91 A)
 &rst
  ixpk= 2551, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   21 PHE  HB-         123 VAL  MGY         3.50    (#   2553:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 2553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   21 PHE  HB+         123 VAL  MGY         3.50    (#   2554:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   18 ALA  HA          123 VAL  MGY         2.80    (#   2555:25  Unique         2.12, 4.05 A)
 &rst
  ixpk= 2555, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  QD1         124 GLU  HA          2.80    (#   2556:25  Unique         2.23, 3.29 A)
 &rst
  ixpk= 2556, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1934,1935,1936,
 &end
#
#  124 GLU  HG+         124 GLU  HA          2.80    (#   2557:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2557, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1880,1881,
 &end
#
#    0 AMB  25-2:2558   124 GLU  HA          5.50    (#   2558:25  Single Ambig)
 &rst
  ixpk= 2558, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1940,1897,1898,
 &end
#
#  125 ASN  HN          124 GLU  HA          3.50    (#   2559:25  Unique         3.54, 3.55 A)
 &rst
  ixpk= 2559, nxpk= 25, iat=1888,1875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HN          124 GLU  HB+         2.80    (#   2560:25  Unique         2.30, 2.39 A)
 &rst
  ixpk= 2560, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1877,1878,
 &end
#
#  125 ASN  HN          124 GLU  HB+         3.50    (#   2561:25  Unique         2.86, 3.47 A)
 &rst
  ixpk= 2561, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1877,1878,
 &end
#
#  124 GLU  HA          124 GLU  HB+         2.80    (#   2562:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 2562, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1877,1878,
 &end
#
#   25 LEU  MDX         124 GLU  HG+         2.80    (#   2563:25  Unique         3.02, 5.35 A)
 &rst
  ixpk= 2563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1880,1881,
 &end
#
#   25 LEU  MDX         124 GLU  HG-         2.80    (#   2564:25  Unique         3.02, 5.35 A)
 &rst
  ixpk= 2564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1880,1881,
 &end
#
#  124 GLU  HA          124 GLU  HG+         3.50    (#   2565:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2565, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1880,1881,
 &end
#
#  121 GLU  HA          124 GLU  HG+         4.50    (#   2566:25  Unique         4.79, 5.26 A)
 &rst
  ixpk= 2566, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  124 GLU  HA          124 GLU  HG-         2.80    (#   2567:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1880,1881,
 &end
#
#  121 GLU  HA          124 GLU  HG-         4.50    (#   2568:25  Unique         4.79, 5.26 A)
 &rst
  ixpk= 2568, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  124 GLU  HN          124 GLU  HG-         4.50    (#   2569:25  Unique         4.27, 4.35 A)
 &rst
  ixpk= 2569, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  122 ARG  HA          125 ASN  HB+         3.50    (#   2570:25  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2570, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  122 ARG  HA          125 ASN  HB-         3.50    (#   2571:25  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2571, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2-        125 ASN  HB+         4.50    (#   2572:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2-        125 ASN  HB-         4.50    (#   2573:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2+        125 ASN  HB+         3.50    (#   2574:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2+        125 ASN  HB-         3.50    (#   2575:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  126 LEU  HN          125 ASN  HB+         3.50    (#   2576:25  Unique         2.69, 2.98 A)
 &rst
  ixpk= 2576, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  126 LEU  HN          125 ASN  HB-         3.50    (#   2577:25  Unique         2.69, 2.98 A)
 &rst
  ixpk= 2577, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  126 LEU  HN          126 LEU  HA          3.50    (#   2578:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 2578, nxpk= 25, iat=1902,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HN          126 LEU  HA          3.50    (#   2579:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 2579, nxpk= 25, iat=1921,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HN          126 LEU  HA          3.50    (#   2580:25  Unique         3.19, 3.36 A)
 &rst
  ixpk= 2580, nxpk= 25, iat=1950,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HE+         126 LEU  HA          4.50    (#   2582:25  Unique         2.98, 4.03 A)
 &rst
  ixpk= 2582, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1963,1964,
 &end
#
#  125 ASN  HB+         126 LEU  HA          5.50    (#   2583:25  Unique         3.91, 4.38 A)
 &rst
  ixpk= 2583, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#  126 LEU  HB+         126 LEU  HA          3.50    (#   2584:25  Unique         2.17, 2.56 A)
 &rst
  ixpk= 2584, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  129 LYS  HD+         126 LEU  HA          3.50    (#   2585:25  Unique         2.28, 3.19 A)
 &rst
  ixpk= 2585, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1960,1961,
 &end
#
#  127 ILE  QD1         126 LEU  HB+         4.50    (#   2586:25  Unique         4.36, 6.36 A)
 &rst
  ixpk= 2586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1934,1935,1936,
 igr2=1906,1907,
 &end
#
#  126 LEU  MDY         126 LEU  HB-         3.50    (#   2587:25  Unique         2.26, 3.27 A)
 &rst
  ixpk= 2587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1906,1907,
 &end
#
#  123 VAL  HA          126 LEU  HB-         3.50    (#   2588:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 2588, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  126 LEU  HA          126 LEU  HB-         3.50    (#   2589:25  Unique         2.17, 2.56 A)
 &rst
  ixpk= 2589, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   99 TRP  HH2         126 LEU  HB+         4.50    (#   2590:25  Unique         2.12, 2.71 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1906,1907,
 &end
#
#  126 LEU  HN          126 LEU  HB+         2.80    (#   2591:25  Unique         2.08, 2.60 A)
 &rst
  ixpk= 2591, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1906,1907,
 &end
#
#  126 LEU  HN          126 LEU  HG          5.50    (#   2592:25  Unique         4.33, 4.37 A)
 &rst
  ixpk= 2592, nxpk= 25, iat=1902,1909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HN          126 LEU  HG          5.50    (#   2593:25  Unique         3.37, 3.44 A)
 &rst
  ixpk= 2593, nxpk= 25, iat=1921,1909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HZ2         126 LEU  HG          4.50    (#   2594:25  Unique         4.57, 4.62 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1473,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HH2         126 LEU  HG          4.50    (#   2595:25  Unique         4.31, 4.47 A)
 &rst
  ixpk= 2595, nxpk= 25, iat=1475,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 LEU  HA          126 LEU  HG          4.50    (#   2596:25  Unique         3.08, 3.10 A)
 &rst
  ixpk= 2596, nxpk= 25, iat=1904,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2597   126 LEU  HG          5.50    (#   2597:25  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1859,1995,1996,
 &end
#
#  126 LEU  HB+         126 LEU  HG          3.50    (#   2598:25  Unique         2.72, 2.85 A)
 &rst
  ixpk= 2598, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  126 LEU  HB-         126 LEU  HG          2.80    (#   2599:25  Unique         2.72, 2.85 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#    0 AMB  25-2:2600   126 LEU  HG          4.50    (#   2600:25  Single Ambig)
 &rst
  ixpk= 2600, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1960,1961,1398,
 &end
#
#   77 ILE  HG1+        126 LEU  HG          4.50    (#   2601:25  Unique         5.02, 5.19 A)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#   77 ILE  QD1         126 LEU  HG          4.50    (#   2602:25  Unique         4.50, 5.64 A)
 &rst
  ixpk= 2602, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#    4 VAL  MGX         126 LEU  HG          3.50    (#   2603:25  Unique         3.96, 5.06 A)
 &rst
  ixpk= 2603, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:2604   127 ILE  HA          3.50    (#   2604:25  Single Ambig)
 &rst
  ixpk= 2604, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1972,1940,
 &end
#
#   26 GLY  HA+         127 ILE  HA          4.50    (#   2606:25  Unique         4.85, 5.04 A)
 &rst
  ixpk= 2606, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 415, 416,
 &end
#
#  130 ILE  HB          127 ILE  HA          4.50    (#   2607:25  Unique         4.59, 4.67 A)
 &rst
  ixpk= 2607, nxpk= 25, iat=1976,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  130 ILE  HG1-        127 ILE  HA          3.50    (#   2608:25  Unique         2.16, 2.96 A)
 &rst
  ixpk= 2608, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#  127 ILE  HG1+        127 ILE  HB          2.80    (#   2609:25  Unique         2.58, 2.87 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1931,1932,
 &end
#
#    0 AMB  25-2:2610   127 ILE  HB          4.50    (#   2610:25  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1944,1945,1946,1982,1983,
 &end
#
#  124 GLU  HG-         127 ILE  HB          3.50    (#   2611:25  Unique         3.68, 4.07 A)
 &rst
  ixpk= 2611, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1880,1881,
 &end
#
#  124 GLU  HG+         127 ILE  HB          3.50    (#   2612:25  Unique         3.68, 4.07 A)
 &rst
  ixpk= 2612, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1880,1881,
 &end
#
#  127 ILE  HA          127 ILE  HB          3.50    (#   2613:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 2613, nxpk= 25, iat=1923,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HA          127 ILE  HB          3.50    (#   2614:25  Unique         2.10, 2.15 A)
 &rst
  ixpk= 2614, nxpk= 25, iat=1875,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  128 ALA  HN          127 ILE  HB          2.80    (#   2615:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 2615, nxpk= 25, iat=1940,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HN          127 ILE  HG1+        3.50    (#   2616:25  Unique         2.51, 3.39 A)
 &rst
  ixpk= 2616, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#  127 ILE  HN          127 ILE  HG1-        2.80    (#   2617:25  Unique         2.51, 3.39 A)
 &rst
  ixpk= 2617, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1931,1932,
 &end
#
#  127 ILE  HA          127 ILE  HG1-        3.50    (#   2618:25  Unique         2.13, 2.43 A)
 &rst
  ixpk= 2618, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#  127 ILE  HA          127 ILE  HG1+        3.50    (#   2619:25  Unique         2.13, 2.43 A)
 &rst
  ixpk= 2619, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#  124 GLU  HB+         127 ILE  QD1         3.50    (#   2620:25  Unique         3.94, 5.45 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1877,1878,
 igr2=1934,1935,1936,
 &end
#
#    0 AMB  25-2:2621    30 ILE  QD1         4.50    (#   2621:25  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 362, 363,1976, 313, 314,
 igr2= 472, 473, 474,
 &end
#
#  120 LYS  HE-         127 ILE  QD1         5.50    (#   2622:25  Unique         6.48, 7.40 A)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1809,1810,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HA          127 ILE  QD1         3.50    (#   2623:25  Unique         4.05, 4.35 A)
 &rst
  ixpk= 2623, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1934,1935,1936,
 &end
#
#   26 GLY  HA-         127 ILE  QD1         2.80    (#   2624:25  Unique         3.07, 4.21 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 415, 416,
 igr2=1934,1935,1936,
 &end
#
#   22 ALA  HA          127 ILE  QD1         2.80    (#   2625:25  Unique         2.15, 3.00 A)
 &rst
  ixpk= 2625, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HN          127 ILE  QD1         3.50    (#   2626:25  Unique         3.08, 3.93 A)
 &rst
  ixpk= 2626, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1934,1935,1936,
 &end
#
#   26 GLY  HN          127 ILE  QD1         3.50    (#   2627:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 2627, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1934,1935,1936,
 &end
#
#   26 GLY  HA+         127 ILE  QD1         3.50    (#   2628:25  Unique         3.07, 4.21 A)
 &rst
  ixpk= 2628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 415, 416,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HN          127 ILE  QG2         4.50    (#   2629:25  Unique         4.02, 4.36 A)
 &rst
  ixpk= 2629, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1927,1928,1929,
 &end
#
#    0 AMB  25-2:2630    97 GLU  HA          5.50    (#   2630:25  Single Ambig)
 &rst
  ixpk= 2630, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1415,1423,1427,
 &end
#
#    0 AMB  25-2:2631     0 AMB  25-1:2631   5.50    (#   2631:25  Double Ambig)
 &rst
  ixpk= 2631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1150,1921,
 igr2=1435,1942,
 &end
#
#  127 ILE  HA          128 ALA  MB          5.50    (#   2632:25  Unique         5.80, 6.15 A)
 &rst
  ixpk= 2632, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1944,1945,1946,
 &end
#
#  125 ASN  HB-         128 ALA  MB          4.50    (#   2633:25  Unique         4.53, 6.01 A)
 &rst
  ixpk= 2633, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1892,1893,
 igr2=1944,1945,1946,
 &end
#
#  124 GLU  HG-         128 ALA  MB          3.50    (#   2634:25  Unique         3.83, 5.31 A)
 &rst
  ixpk= 2634, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1880,1881,
 igr2=1944,1945,1946,
 &end
#
#   29 LYS  HB+          27 ALA  MB          5.50    (#   2635:25  Unique         5.95, 7.26 A)
 &rst
  ixpk= 2635, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 441, 442,
 igr2= 424, 425, 426,
 &end
#
#  129 LYS  HD+         129 LYS  HA          4.50    (#   2636:25  Unique         4.46, 4.61 A)
 &rst
  ixpk= 2636, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1960,1961,
 &end
#
#  129 LYS  HN          129 LYS  HD+         3.50    (#   2637:25  Unique         3.72, 4.21 A)
 &rst
  ixpk= 2637, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1960,1961,
 &end
#
#    2 LYS  HE-         130 ILE  HA          4.50    (#   2639:25  Unique         3.93, 4.89 A)
 &rst
  ixpk= 2639, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  34,  35,
 &end
#
#    0 AMB  25-2:2640   130 ILE  HA          3.50    (#   2640:25  Single Ambig)
 &rst
  ixpk= 2640, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1982,1983,  31,  32,
 &end
#
#  130 ILE  HG1-        130 ILE  HA          3.50    (#   2641:25  Unique         3.49, 3.70 A)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#    0 AMB  25-2:2642   130 ILE  HA          4.50    (#   2642:25  Single Ambig)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 &end
#
#    2 LYS  HE+         130 ILE  HB          3.50    (#   2643:25  Unique         2.03, 3.18 A)
 &rst
  ixpk= 2643, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  34,  35,
 &end
#
#  127 ILE  HA          130 ILE  HB          5.50    (#   2644:25  Unique         4.59, 4.67 A)
 &rst
  ixpk= 2644, nxpk= 25, iat=1923,1976, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 ILE  HN          130 ILE  HB          3.50    (#   2645:25  Unique         3.47, 3.50 A)
 &rst
  ixpk= 2645, nxpk= 25, iat=1972,1976, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 ILE  HA          130 ILE  HG1+        3.50    (#   2646:25  Unique         3.49, 3.70 A)
 &rst
  ixpk= 2646, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1982,1983,
 &end
#
#  127 ILE  HA          130 ILE  HG1+        3.50    (#   2647:25  Unique         2.16, 2.96 A)
 &rst
  ixpk= 2647, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1982,1983,
 &end
#
#  130 ILE  QD1         130 ILE  HG1+        2.80    (#   2648:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1985,1986,1987,
 igr2=1982,1983,
 &end
#
#    2 LYS  HB+         130 ILE  QD1         3.50    (#   2649:25  Unique         3.00, 4.82 A)
 &rst
  ixpk= 2649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  25,  26,
 igr2=1985,1986,1987,
 &end
#
#   94 GLU  HG+         130 ILE  QD1         5.50    (#   2650:25  Unique         5.09, 6.37 A)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1386,1387,
 igr2=1985,1986,1987,
 &end
#
#    2 LYS  HE-         130 ILE  QD1         4.50    (#   2651:25  Unique         3.52, 5.52 A)
 &rst
  ixpk= 2651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  34,  35,
 igr2=1985,1986,1987,
 &end
#
#  127 ILE  HA          130 ILE  QD1         3.50    (#   2652:25  Unique         3.12, 4.27 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:2653   130 ILE  QD1         5.50    (#   2653:25  Single Ambig)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1993,  23,1952,
 igr2=1985,1986,1987,
 &end
#
#  130 ILE  HA          130 ILE  QD1         4.50    (#   2654:25  Unique         4.70, 5.10 A)
 &rst
  ixpk= 2654, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1985,1986,1987,
 &end
#
#  130 ILE  HN          130 ILE  QD1         4.50    (#   2655:25  Unique         3.85, 4.36 A)
 &rst
  ixpk= 2655, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1985,1986,1987,
 &end
#
#   30 ILE  QG2         131 SER  HA          3.50    (#   2656:25  Unique         2.83, 4.31 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 465, 466, 467,
 &end
#
#    0 AMB  25-2:2657   131 SER  HA          4.50    (#   2657:25  Single Ambig)
 &rst
  ixpk= 2657, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1982,1983, 469, 470,  15,  16,  17,
 &end
#
#    0 AMB  25-2:2658   131 SER  HA          4.50    (#   2658:25  Single Ambig)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1982,1983,  31,  32,  25,  26,
 &end
#
#  131 SER  HN          131 SER  HB-         3.50    (#   2659:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 2659, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1995,1996,
 &end
#
#  131 SER  HN          131 SER  HB+         3.50    (#   2660:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 2660, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1995,1996,
 &end
#
#   29 LYS  HA          131 SER  HB+         4.50    (#   2661:25  Unique         4.61, 5.46 A)
 &rst
  ixpk= 2661, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1995,1996,
 &end
#
#    0 AMB  25-2:2662   131 SER  HB-         4.50    (#   2662:25  Single Ambig)
 &rst
  ixpk= 2662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 439,1974,
 igr2=1995,1996,
 &end
#
#  127 ILE  QG2         131 SER  HB+         4.50    (#   2663:25  Unique         2.29, 4.07 A)
 &rst
  ixpk= 2663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1927,1928,1929,
 igr2=1995,1996,
 &end
#
#  127 ILE  QG2         131 SER  HB-         3.50    (#   2664:25  Unique         2.29, 4.07 A)
 &rst
  ixpk= 2664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1927,1928,1929,
 igr2=1995,1996,
 &end
#
#  127 ILE  QD1         127 ILE  HA          3.50    (#   2665:25  Unique         4.05, 4.35 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1934,1935,1936,
 &end
#
#   90 TRP  HD1          87 PRO  HD-         3.50    (#   2666:25  Unique         2.55, 3.46 A)
 &rst
  ixpk= 2666, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1266,1267,
 &end
#
#   86 LEU  HA           87 PRO  HD-         2.80    (#   2668:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 2668, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1266,1267,
 &end
#
#   87 PRO  HB+          87 PRO  HD-         5.50    (#   2669:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 2669, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   87 PRO  HG+          87 PRO  HD-         2.80    (#   2670:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1269,1270,
 igr2=1266,1267,
 &end
#
#   86 LEU  HG           87 PRO  HD-         5.50    (#   2671:25  Unique         4.54, 5.10 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB-          87 PRO  HD-         3.50    (#   2672:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB+          87 PRO  HD-         3.50    (#   2673:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#    0 AMB  25-2:2674    87 PRO  HD-         5.50    (#   2674:25  Single Ambig)
 &rst
  ixpk= 2674, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 960, 961, 956, 957, 958,
 igr2=1266,1267,
 &end
#
#    0 AMB  25-2:2675    87 PRO  HD-         3.50    (#   2675:25  Single Ambig)
 &rst
  ixpk= 2675, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1255,1256,1257,1259,1260,1261, 960, 961,
 igr2=1266,1267,
 &end
#
#    0 AMB  25-2:2676     0 AMB  25-1:2676   3.50    (#   2676:25  Double Ambig)
 &rst
  ixpk= 2676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1255,1256,1257,1259,1260,1261, 960, 961,
 igr2=1266,1267,1266,1267,
 &end
#
#   65 ILE  QD1          87 PRO  HD-         3.50    (#   2677:25  Unique         3.60, 4.99 A)
 &rst
  ixpk= 2677, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2=1266,1267,
 &end
#
#   65 ILE  QD1          87 PRO  HD+         4.50    (#   2678:25  Unique         3.60, 4.99 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 963, 964, 965,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB-          87 PRO  HD+         3.50    (#   2679:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB+          87 PRO  HD+         3.50    (#   2680:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#   87 PRO  HB+          87 PRO  HD+         4.50    (#   2681:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   86 LEU  HA           87 PRO  HD+         2.80    (#   2682:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 2682, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1266,1267,
 &end
#
#   90 TRP  HD1          87 PRO  HD+         5.50    (#   2683:25  Unique         2.55, 3.46 A)
 &rst
  ixpk= 2683, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1266,1267,
 &end
#
#   76 VAL  HB           96 PHE  HB+         5.50    (#   2684:25  Unique         2.99, 4.23 A)
 &rst
  ixpk= 2684, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1417,1418,
 &end
#
#   86 LEU  HG           86 LEU  HB+         3.50    (#   2686:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2686, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  HG           86 LEU  HB-         3.50    (#   2687:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2687, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDY          86 LEU  HB+         3.50    (#   2688:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   91 VAL  MGY          86 LEU  HB+         3.50    (#   2689:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 2689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1250,1251,
 &end
#
#   91 VAL  MGY          86 LEU  HB-         3.50    (#   2690:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 2690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1250,1251,
 &end
#
#   90 TRP  HB-          86 LEU  HB+         4.50    (#   2691:25  Unique         2.18, 2.93 A)
 &rst
  ixpk= 2691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1312,1313,
 igr2=1250,1251,
 &end
#
#   90 TRP  HB-          86 LEU  HB-         3.50    (#   2692:25  Unique         2.18, 2.93 A)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1312,1313,
 igr2=1250,1251,
 &end
#
#    0 AMB  25-2:2693     0 AMB  25-1:2693   3.50    (#   2693:25  Double Ambig)
 &rst
  ixpk= 2693, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1312,1313,1266,1267,
 igr2=1250,1251,1250,1251,
 &end
#
#    0 AMB  25-2:2694    86 LEU  HB-         3.50    (#   2694:25  Single Ambig)
 &rst
  ixpk= 2694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1312,1313,1266,1267,
 igr2=1250,1251,
 &end
#
#   87 PRO  HD+          86 LEU  HB+         5.50    (#   2695:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1266,1267,
 igr2=1250,1251,
 &end
#
#   87 PRO  HD+          86 LEU  HB-         4.50    (#   2696:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1266,1267,
 igr2=1250,1251,
 &end
#
#   86 LEU  HA           86 LEU  HB+         3.50    (#   2697:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 2697, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  HA           86 LEU  HB-         3.50    (#   2698:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 2698, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  HN           86 LEU  HB+         3.50    (#   2699:25  Unique         2.40, 3.10 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#  107 GLN  HE2+        107 GLN  HG-         3.50    (#   2701:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2701, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2-        107 GLN  HG+         4.50    (#   2702:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2+        107 GLN  HG+         3.50    (#   2703:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  108 SER  HN          107 GLN  HG-         4.50    (#   2704:25  Unique         3.24, 4.10 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1587,1588,
 &end
#
#  107 GLN  HN          107 GLN  HG-         3.50    (#   2705:25  Unique         2.24, 3.24 A)
 &rst
  ixpk= 2705, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  108 SER  HN          107 GLN  HG+         3.50    (#   2706:25  Unique         3.24, 4.10 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  107 GLN  HN          107 GLN  HG+         3.50    (#   2707:25  Unique         2.24, 3.24 A)
 &rst
  ixpk= 2707, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGX         107 GLN  HG+         3.50    (#   2708:25  Unique         2.35, 4.67 A)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGX         107 GLN  HG-         3.50    (#   2709:25  Unique         2.35, 4.67 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  116 ARG  HN           14 ARG  HB+         5.50    (#   2712:25  Unique         5.29, 6.69 A)
 &rst
  ixpk= 2712, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 231, 232,
 &end
#
#  111 VAL  MGX         104 PRO  HB-         4.50    (#   2715:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 2715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1554,1555,
 &end
#
#    8 CYS  HA            8 CYS  HB+         4.50    (#   2720:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2720, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#   86 LEU  HN           86 LEU  HG          3.50    (#   2725:25  Unique         2.39, 2.69 A)
 &rst
  ixpk= 2725, nxpk= 25, iat=1246,1253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HA           86 LEU  HG          4.50    (#   2727:25  Unique         2.97, 3.13 A)
 &rst
  ixpk= 2727, nxpk= 25, iat=1248,1253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 LEU  HB+          86 LEU  HG          2.80    (#   2729:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1250,1251,
 &end
#
#   86 LEU  HB-          86 LEU  HG          3.50    (#   2730:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HG          2.80    (#   2731:25  Unique         2.40, 2.67 A)
 &rst
  ixpk= 2731, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#   79 LEU  HB-          79 LEU  MDX         2.80    (#   2733:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HG           79 LEU  MDX         3.50    (#   2734:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2734, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB+          79 LEU  MDX         4.50    (#   2736:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2736, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   77 ILE  QG2          79 LEU  MDX         3.50    (#   2737:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 2737, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1137,1138,1139,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 PHE  HB+          79 LEU  MDX         3.50    (#   2738:25  Unique         2.75, 5.56 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 102, 103,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   15 SER  HA           79 LEU  MDX         3.50    (#   2739:25  Unique         2.21, 3.55 A)
 &rst
  ixpk= 2739, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  25-2:2741    79 LEU  MDX         4.50    (#   2741:25  Single Ambig)
 &rst
  ixpk= 2741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1163, 100,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 PHE  HD           79 LEU  MDX         4.50    (#   2742:25  Unique         2.31, 6.17 A)
 &rst
  ixpk= 2742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 106, 114,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    7 VAL  HN           79 LEU  MDX         5.50    (#   2743:25  Unique         2.68, 5.11 A)
 &rst
  ixpk= 2743, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#  122 ARG  HN          122 ARG  HG+         3.50    (#   2744:25  Unique         2.33, 3.67 A)
 &rst
  ixpk= 2744, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HN          122 ARG  HG-         3.50    (#   2745:25  Unique         2.33, 3.67 A)
 &rst
  ixpk= 2745, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HA          122 ARG  HG+         3.50    (#   2746:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 2746, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HA          122 ARG  HG-         3.50    (#   2747:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 2747, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HB-         122 ARG  HG+         4.50    (#   2748:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1837,1838,
 igr2=1840,1841,
 &end
#
#  122 ARG  HB-         122 ARG  HG-         3.50    (#   2749:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1840,1841,
 &end
#
#  127 ILE  HG1-        126 LEU  HG          3.50    (#   2750:25  Unique         3.61, 4.43 A)
 &rst
  ixpk= 2750, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1931,1932,
 &end
#
#   86 LEU  HB+          86 LEU  MDY         2.80    (#   2751:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1250,1251,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   76 VAL  MGX          86 LEU  MDY         5.50    (#   2752:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   90 TRP  HB-          86 LEU  MDY         4.50    (#   2753:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:2754    86 LEU  MDY         3.50    (#   2754:25  Single Ambig)
 &rst
  ixpk= 2754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1312,1313,1266,1267,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   78 SER  HB+          86 LEU  MDY         3.50    (#   2755:25  Unique         2.34, 4.49 A)
 &rst
  ixpk= 2755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HA           86 LEU  MDY         4.50    (#   2756:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 2756, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   96 PHE  HD           86 LEU  MDY         4.50    (#   2758:25  Unique         4.01, 7.20 A)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1421,1429,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    7 VAL  MGY          86 LEU  MDY         4.50    (#   2759:25  Unique         3.21, 5.73 A)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   41 ARG  HD+          41 ARG  HG+         3.50    (#   2762:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 610, 611,
 &end
#
#   37 LEU  MDY          41 ARG  HG+         4.50    (#   2763:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 610, 611,
 &end
#
#  116 ARG  HG+         120 LYS  HG+         5.50    (#   2766:25  Unique         3.73, 4.99 A)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1739,1740,
 igr2=1803,1804,
 &end
#
#  118 GLN  HG-         120 LYS  HG+         5.50    (#   2767:25  Unique         6.36, 7.34 A)
 &rst
  ixpk= 2767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1770,1771,
 igr2=1803,1804,
 &end
#
#    0 AMB  25-2:2770    49 MET  ME          3.50    (#   2770:25  Single Ambig)
 &rst
  ixpk= 2770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1610, 719,
 igr2= 738, 739, 740,
 &end
#
#   52 GLU  HG+          49 MET  ME          3.50    (#   2771:25  Unique         2.37, 4.29 A)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 783, 784,
 igr2= 738, 739, 740,
 &end
#
#   45 THR  MG2          49 MET  ME          3.50    (#   2772:25  Unique         2.77, 5.37 A)
 &rst
  ixpk= 2772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 680, 681, 682,
 igr2= 738, 739, 740,
 &end
#
#   49 MET  HN           49 MET  ME          4.50    (#   2773:25  Unique         2.86, 4.63 A)
 &rst
  ixpk= 2773, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:2775    76 VAL  MGX         5.50    (#   2775:25  Single Ambig)
 &rst
  ixpk= 2775, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1099,1308,1362,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HN           76 VAL  MGX         3.50    (#   2776:25  Unique         2.36, 4.19 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   96 PHE  HD           76 VAL  MGX         4.50    (#   2777:25  Unique         2.12, 5.66 A)
 &rst
  ixpk= 2777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1421,1429,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HZ3          76 VAL  MGX         4.50    (#   2779:25  Unique         2.41, 3.70 A)
 &rst
  ixpk= 2779, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HA           76 VAL  MGX         2.80    (#   2780:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 2780, nxpk= 25, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HA           76 VAL  MGX         3.50    (#   2781:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 2781, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB+          76 VAL  MGX         4.50    (#   2782:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 2782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HB-          76 VAL  MGX         3.50    (#   2783:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 2783, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HB+          76 VAL  MGX         4.50    (#   2784:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   93 GLN  HG+          76 VAL  MGX         3.50    (#   2785:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1369,1370,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   93 GLN  HG-          76 VAL  MGX         4.50    (#   2786:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1369,1370,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    5 MET  HB+          76 VAL  MGX         3.50    (#   2787:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 2787, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  85,  86,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   86 LEU  MDY          76 VAL  MGX         5.50    (#   2788:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 2788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  MGY          76 VAL  MGX         5.50    (#   2789:25  Unique         4.58, 7.60 A)
 &rst
  ixpk= 2789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:2790    76 VAL  MGX         5.50    (#   2790:25  Single Ambig)
 &rst
  ixpk= 2790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  81, 118,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#  116 ARG  HA           50 MET  ME          4.50    (#   2791:25  Unique         4.48, 5.55 A)
 &rst
  ixpk= 2791, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 755, 756, 757,
 &end
#
#  112 PHE  HA           50 MET  ME          5.50    (#   2792:25  Unique         4.76, 5.75 A)
 &rst
  ixpk= 2792, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 755, 756, 757,
 &end
#
#   49 MET  HA           50 MET  ME          5.50    (#   2793:25  Unique         4.13, 5.61 A)
 &rst
  ixpk= 2793, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 755, 756, 757,
 &end
#
#  112 PHE  HD           50 MET  ME          3.50    (#   2795:25  Unique         2.83, 6.14 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1666,1674,
 igr2= 755, 756, 757,
 &end
#
#   50 MET  HN           50 MET  ME          4.50    (#   2796:25  Unique         2.85, 4.36 A)
 &rst
  ixpk= 2796, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:2797    50 MET  ME          4.50    (#   2797:25  Single Ambig)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1732,1678,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:2798    50 MET  ME          4.50    (#   2798:25  Single Ambig)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1662,1663, 700,
 igr2= 755, 756, 757,
 &end
#
#   17 MET  HG+          50 MET  ME          3.50    (#   2800:25  Unique         2.18, 4.05 A)
 &rst
  ixpk= 2800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 286, 287,
 igr2= 755, 756, 757,
 &end
#
#   50 MET  HG+          50 MET  ME          4.50    (#   2801:25  Unique         2.31, 3.31 A)
 &rst
  ixpk= 2801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 755, 756, 757,
 &end
#
#   49 MET  HG+          50 MET  ME          3.50    (#   2802:25  Unique         3.72, 5.18 A)
 &rst
  ixpk= 2802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735,
 igr2= 755, 756, 757,
 &end
#
#   49 MET  HB-          50 MET  ME          3.50    (#   2803:25  Unique         2.08, 3.39 A)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 731, 732,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:2804    50 MET  ME          3.50    (#   2804:25  Single Ambig)
 &rst
  ixpk= 2804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1= 797, 798, 799, 801, 802, 803, 855, 856, 818,
 igr2= 755, 756, 757,
 &end
#
#   55 ILE  QG2          17 MET  ME          2.80    (#   2805:25  Unique         2.10, 3.61 A)
 &rst
  ixpk= 2805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 820, 821, 822,
 igr2= 290, 291, 292,
 &end
#
#    0 AMB  25-2:2806    17 MET  ME          4.50    (#   2806:25  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1806,1807, 386, 387, 388,
 igr2= 290, 291, 292,
 &end
#
#   50 MET  HB-          17 MET  ME          2.80    (#   2807:25  Unique         2.98, 4.55 A)
 &rst
  ixpk= 2807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 748, 749,
 igr2= 290, 291, 292,
 &end
#
#   50 MET  HG+          17 MET  ME          3.50    (#   2808:25  Unique         2.04, 3.81 A)
 &rst
  ixpk= 2808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 751, 752,
 igr2= 290, 291, 292,
 &end
#
#   17 MET  HG+          17 MET  ME          5.50    (#   2809:25  Unique         2.39, 3.79 A)
 &rst
  ixpk= 2809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 286, 287,
 igr2= 290, 291, 292,
 &end
#
#   20 GLY  HA+          17 MET  ME          3.50    (#   2810:25  Unique         2.16, 3.66 A)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HA           17 MET  ME          4.50    (#   2812:25  Unique         3.54, 4.91 A)
 &rst
  ixpk= 2812, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 290, 291, 292,
 &end
#
#   17 MET  HA           17 MET  ME          3.50    (#   2813:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 2813, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HD           17 MET  ME          3.50    (#   2814:25  Unique         3.24, 4.60 A)
 &rst
  ixpk= 2814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 336, 344,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HE           17 MET  ME          4.50    (#   2815:25  Unique         3.62, 4.71 A)
 &rst
  ixpk= 2815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 342,
 igr2= 290, 291, 292,
 &end
#
#   20 GLY  HN           17 MET  ME          3.50    (#   2816:25  Unique         3.05, 3.86 A)
 &rst
  ixpk= 2816, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HN           17 MET  ME          3.50    (#   2817:25  Unique         2.24, 3.36 A)
 &rst
  ixpk= 2817, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#  100 GLN  HE2-        100 GLN  HG+         5.50    (#   2819:25  Unique         2.22, 3.42 A)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#   53 VAL  MGX         116 ARG  HD+         3.50    (#   2820:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1742,1743,
 &end
#
#   49 MET  HB-         116 ARG  HD+         4.50    (#   2821:25  Unique         3.30, 5.02 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1742,1743,
 &end
#
#    0 AMB  25-2:2822     0 AMB  25-1:2822   3.50    (#   2822:25  Double Ambig)
 &rst
  ixpk= 2822, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1736,1737,1739,1740,
 igr2=1742,1743,1742,1743,
 &end
#
#  116 ARG  HG+         116 ARG  HD+         3.50    (#   2823:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1739,1740,
 igr2=1742,1743,
 &end
#
#  116 ARG  HB+         116 ARG  HD+         4.50    (#   2824:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1736,1737,
 igr2=1742,1743,
 &end
#
#   21 PHE  HD          116 ARG  HD+         5.50    (#   2825:25  Unique         6.06, 7.21 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 336, 344,
 igr2=1742,1743,
 &end
#
#  107 GLN  HN          107 GLN  HB+         4.50    (#   2827:25  Unique         2.14, 2.90 A)
 &rst
  ixpk= 2827, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1584,1585,
 &end
#
#    0 AMB  25-2:2828    53 VAL  MGX         4.50    (#   2828:25  Single Ambig)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 780, 781,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   37 LEU  MDX          61 THR  HB          5.50    (#   2829:25  Unique         2.04, 4.36 A)
 &rst
  ixpk= 2829, nxpk= 25, iat=  -1, 903, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:2830    65 ILE  QD1         5.50    (#   2830:25  Single Ambig)
 &rst
  ixpk= 2830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1248,1154,1155,
 igr2= 963, 964, 965,
 &end
#
#   73 TYR  HD            3 LYS  HE+         4.50    (#   2831:25  Unique         3.09, 4.65 A)
 &rst
  ixpk= 2831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1074,1083,
 igr2=  56,  57,
 &end
#
#    0 AMB  25-2:2833     0 AMB  25-1:2833   4.50    (#   2833:25  Double Ambig)
 &rst
  ixpk= 2833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 510, 511, 512,  85,  86,
 igr2=  56,  57,  56,  57,
 &end
#
#  105 ASP  HA          105 ASP  HB+         3.50    (#   2834:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2834, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  122 ARG  HG+         122 ARG  HB-         4.50    (#   2835:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1840,1841,
 igr2=1837,1838,
 &end
#
#    0 AMB  25-2:2836   126 LEU  HG          5.50    (#   2836:25  Single Ambig)
 &rst
  ixpk= 2836, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1963,1964,  34,  35,
 &end
#
#    0 AMB  25-2:2838     0 AMB  25-1:2838   5.50    (#   2838:25  Double Ambig)
 &rst
  ixpk= 2838, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 480,  83,  67,
 igr2=  56,  57,  56,  57,  56,  57,
 &end
#
#    3 LYS  HA            3 LYS  HE+         5.50    (#   2839:25  Unique         4.17, 4.42 A)
 &rst
  ixpk= 2839, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  56,  57,
 &end
#
#   96 PHE  HD           78 SER  HB+         4.50    (#   2843:25  Unique         3.72, 6.46 A)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1421,1429,
 igr2=1154,1155,
 &end
#
#   96 PHE  HD           78 SER  HB-         4.50    (#   2844:25  Unique         3.72, 6.46 A)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1421,1429,
 igr2=1154,1155,
 &end
#
#   25 LEU  HN           24 THR  HA          3.50    (#   2845:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 2845, nxpk= 25, iat= 394, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 THR  HN           24 THR  HA          3.50    (#   2846:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 2846, nxpk= 25, iat= 380, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 ALA  HN           24 THR  HA          5.50    (#   2847:25  Unique         4.40, 4.59 A)
 &rst
  ixpk= 2847, nxpk= 25, iat= 420, 382, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 ILE  QD1          24 THR  HA          5.50    (#   2850:25  Unique         5.37, 6.25 A)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#   78 SER  HA           78 SER  HB-         4.50    (#   2851:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 2851, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   78 SER  HA           78 SER  HB+         3.50    (#   2852:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 2852, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1154,1155,
 &end
#
#   36 GLY  HN           36 GLY  HA+         4.50    (#   2853:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 2853, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 542, 543,
 &end
#
#    4 VAL  HN            4 VAL  HA          5.50    (#   2860:25  Unique         2.96, 2.97 A)
 &rst
  ixpk= 2860, nxpk= 25, iat=  65,  67, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 MET  HB+          17 MET  HA          2.80    (#   2862:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 2862, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 283, 284,
 &end
#
#  115 VAL  HN          115 VAL  MGX         4.50    (#   2864:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 2864, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:2865   115 VAL  MGX         5.50    (#   2865:25  Single Ambig)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1520,1780,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#   55 ILE  QG2          24 THR  MG2         5.50    (#   2868:25  Unique         5.82, 7.83 A)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 820, 821, 822,
 igr2= 386, 387, 388,
 &end
#
#   55 ILE  QD1          24 THR  MG2         3.50    (#   2869:25  Unique         2.57, 4.95 A)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 827, 828, 829,
 igr2= 386, 387, 388,
 &end
#
#   24 THR  HN           24 THR  MG2         3.50    (#   2871:25  Unique         3.96, 4.30 A)
 &rst
  ixpk= 2871, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  25-2:2872   114 THR  MG2         5.50    (#   2872:25  Single Ambig)
 &rst
  ixpk= 2872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1767,1768,1720,1682,1683,
 igr2=1708,1709,1710,
 &end
#
#  114 THR  HN          113 ARG  HB-         4.50    (#   2873:25  Unique         2.43, 3.22 A)
 &rst
  ixpk= 2873, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1682,1683,
 &end
#
#   99 TRP  HZ2          77 ILE  QD1         3.50    (#   2875:25  Unique         2.37, 3.21 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:2880    17 MET  ME          3.50    (#   2880:25  Single Ambig)
 &rst
  ixpk= 2880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 748, 749, 283, 284,
 igr2= 290, 291, 292,
 &end
#
#   50 MET  HG-          17 MET  ME          2.80    (#   2881:25  Unique         2.04, 3.81 A)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 751, 752,
 igr2= 290, 291, 292,
 &end
#
#   45 THR  HA           49 MET  ME          5.50    (#   2882:25  Unique         3.84, 6.16 A)
 &rst
  ixpk= 2882, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 738, 739, 740,
 &end
#
#  112 PHE  HB-          49 MET  ME          4.50    (#   2884:25  Unique         4.02, 4.96 A)
 &rst
  ixpk= 2884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1662,1663,
 igr2= 738, 739, 740,
 &end
#
#   50 MET  HN           49 MET  ME          5.50    (#   2885:25  Unique         5.02, 6.37 A)
 &rst
  ixpk= 2885, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 738, 739, 740,
 &end
#
#  120 LYS  HN          119 VAL  MGY         5.50    (#   2887:25  Unique         3.40, 4.65 A)
 &rst
  ixpk= 2887, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   68 PHE  HD            5 MET  ME          3.50    (#   2888:25  Unique         2.55, 4.32 A)
 &rst
  ixpk= 2888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1006,1014,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HE            5 MET  ME          4.50    (#   2889:25  Unique         2.48, 4.17 A)
 &rst
  ixpk= 2889, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1076,1081,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HD            5 MET  ME          4.50    (#   2890:25  Unique         3.73, 5.55 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1074,1083,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:2891     5 MET  ME          3.50    (#   2891:25  Single Ambig)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1008,1012,1323,
 igr2=  92,  93,  94,
 &end
#
#   90 TRP  HZ3           5 MET  ME          4.50    (#   2892:25  Unique         4.63, 5.51 A)
 &rst
  ixpk= 2892, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  92,  93,  94,
 &end
#
#    5 MET  HA            5 MET  ME          5.50    (#   2893:25  Unique         3.24, 4.32 A)
 &rst
  ixpk= 2893, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  HB            5 MET  ME          4.50    (#   2895:25  Unique         2.41, 3.27 A)
 &rst
  ixpk= 2895, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  92,  93,  94,
 &end
#
#   68 PHE  HB+           5 MET  ME          3.50    (#   2896:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1002,1003,
 igr2=  92,  93,  94,
 &end
#
#   68 PHE  HB-           5 MET  ME          4.50    (#   2897:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 2897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1002,1003,
 igr2=  92,  93,  94,
 &end
#
#   35 CYS  HB+           5 MET  ME          4.50    (#   2898:25  Unique         2.24, 4.04 A)
 &rst
  ixpk= 2898, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 533, 534,
 igr2=  92,  93,  94,
 &end
#
#   35 CYS  HB-           5 MET  ME          3.50    (#   2899:25  Unique         2.24, 4.04 A)
 &rst
  ixpk= 2899, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 533, 534,
 igr2=  92,  93,  94,
 &end
#
#   70 ALA  HA            5 MET  ME          5.50    (#   2900:25  Unique         4.30, 5.64 A)
 &rst
  ixpk= 2900, nxpk= 25, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  MG2           5 MET  ME          2.80    (#   2901:25  Unique         2.38, 4.12 A)
 &rst
  ixpk= 2901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 510, 511, 512,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:2908   125 ASN  HB-         5.50    (#   2908:25  Single Ambig)
 &rst
  ixpk= 2908, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1873,1857,
 igr2=1892,1893,
 &end
#
#   15 SER  HB-          99 TRP  HB+         5.50    (#   2914:25  Unique         5.88, 7.42 A)
 &rst
  ixpk= 2914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 255, 256,
 igr2=1464,1465,
 &end
#
#   95 ILE  HN           94 GLU  HG-         4.50    (#   2917:25  Unique         2.93, 3.71 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1386,1387,
 &end
#
#   68 PHE  HN           65 ILE  HA          3.50    (#   2919:25  Unique         3.56, 3.70 A)
 &rst
  ixpk= 2919, nxpk= 25, iat= 998, 952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HG1-         65 ILE  HA          2.80    (#   2920:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2920, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   85 ASN  HD2-         85 ASN  HB-         4.50    (#   2921:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 2921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1241,1242,
 igr2=1236,1237,
 &end
#
#   79 LEU  MDX          79 LEU  HA          3.50    (#   2922:25  Unique         2.34, 4.25 A)
 &rst
  ixpk= 2922, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  MDY          79 LEU  HA          3.50    (#   2923:25  Unique         2.34, 4.25 A)
 &rst
  ixpk= 2923, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB+          79 LEU  HA          2.80    (#   2924:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2924, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1165,1166,
 &end
#
#   29 LYS  HA           29 LYS  HD+         3.50    (#   2926:25  Unique         2.14, 2.64 A)
 &rst
  ixpk= 2926, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 447, 448,
 &end
#
#    2 LYS  HN            2 LYS  HD-         5.50    (#   2927:25  Unique         1.62, 2.82 A)
 &rst
  ixpk= 2927, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#   10 ARG  HA           10 ARG  HG+         5.50    (#   2928:25  Unique         2.28, 3.20 A)
 &rst
  ixpk= 2928, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 174, 175,
 &end
#
#   10 ARG  HA           10 ARG  HG-         3.50    (#   2929:25  Unique         2.28, 3.20 A)
 &rst
  ixpk= 2929, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 174, 175,
 &end
#
#   10 ARG  HD+          10 ARG  HG+         3.50    (#   2930:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 2930, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 177, 178,
 igr2= 174, 175,
 &end
#
#   10 ARG  HD+          10 ARG  HG-         2.80    (#   2931:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 2931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 174, 175,
 &end
#
#  116 ARG  HD+          53 VAL  MGY         4.50    (#   2932:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 2932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1742,1743,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   54 GLY  HA-          53 VAL  MGY         5.50    (#   2933:25  Unique         4.51, 6.57 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 809, 810,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:2935    53 VAL  MGY         3.50    (#   2935:25  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 780, 781,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   90 TRP  HD1          87 PRO  HG+         4.50    (#   2936:25  Unique         2.21, 3.12 A)
 &rst
  ixpk= 2936, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1269,1270,
 &end
#
#   90 TRP  HD1          87 PRO  HG-         4.50    (#   2937:25  Unique         2.21, 3.12 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1269,1270,
 &end
#
#    0 AMB  25-2:2938     0 AMB  25-1:2938   4.50    (#   2938:25  Double Ambig)
 &rst
  ixpk= 2938, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1248, 971,
 igr2=1269,1270,1269,1270,
 &end
#
#   87 PRO  HD+          87 PRO  HG+         3.50    (#   2939:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HD+          87 PRO  HG-         3.50    (#   2940:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HD-          87 PRO  HG+         3.50    (#   2941:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HD-          87 PRO  HG-         3.50    (#   2942:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HB+          87 PRO  HG+         2.80    (#   2943:25  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1272,1273,
 igr2=1269,1270,
 &end
#
#   87 PRO  HB+          87 PRO  HG-         2.80    (#   2944:25  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1272,1273,
 igr2=1269,1270,
 &end
#
#    0 AMB  25-2:2945     0 AMB  25-1:2945   4.50    (#   2945:25  Double Ambig)
 &rst
  ixpk= 2945, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1= 960, 961,1255,1256,1257,1259,1260,1261,
 igr2=1269,1270,1269,1270,
 &end
#
#   65 ILE  HG1-         87 PRO  HG-         4.50    (#   2946:25  Unique         4.20, 5.96 A)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 960, 961,
 igr2=1269,1270,
 &end
#
#   65 ILE  QD1          87 PRO  HG+         5.50    (#   2947:25  Unique         4.49, 6.07 A)
 &rst
  ixpk= 2947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 963, 964, 965,
 igr2=1269,1270,
 &end
#
#  100 GLN  HB+         100 GLN  HA          2.80    (#   2950:25  Unique         2.24, 2.58 A)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1488,1489,
 &end
#
#   34 SER  HN           19 GLU  HB+         4.50    (#   2951:25  Unique         4.38, 5.02 A)
 &rst
  ixpk= 2951, nxpk= 25, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 310, 311,
 &end
#
#   60 GLN  HE2-         19 GLU  HB+         5.50    (#   2952:25  Unique         1.88, 3.20 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 310, 311,
 &end
#
#   79 LEU  MDX          79 LEU  HB-         3.50    (#   2953:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  MDY          79 LEU  HB-         3.50    (#   2954:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  HG           79 LEU  HB-         3.50    (#   2955:25  Unique         2.39, 2.83 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1165,1166,
 &end
#
#  100 GLN  HB-          79 LEU  HB-         5.50    (#   2956:25  Unique         5.93, 7.59 A)
 &rst
  ixpk= 2956, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1488,1489,
 igr2=1165,1166,
 &end
#
#   79 LEU  HA           79 LEU  HB+         4.50    (#   2959:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1165,1166,
 &end
#
#   79 LEU  HA           79 LEU  HB-         4.50    (#   2960:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1165,1166,
 &end
#
#   14 ARG  HD+          79 LEU  HB-         4.50    (#   2961:25  Unique         2.62, 4.80 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 237, 238,
 igr2=1165,1166,
 &end
#
#   10 ARG  HG-          10 ARG  HA          3.50    (#   2962:25  Unique         2.28, 3.20 A)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 174, 175,
 &end
#
#   10 ARG  HB+          10 ARG  HA          3.50    (#   2963:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 2963, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 171, 172,
 &end
#
#   10 ARG  HB-          10 ARG  HA          3.50    (#   2964:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 2964, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 171, 172,
 &end
#
#   38 GLU  HG-          10 ARG  HA          4.50    (#   2966:25  Unique         2.51, 4.74 A)
 &rst
  ixpk= 2966, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   10 ARG  HD+          10 ARG  HA          4.50    (#   2967:25  Unique         2.11, 3.39 A)
 &rst
  ixpk= 2967, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 177, 178,
 &end
#
#   10 ARG  HN           10 ARG  HA          4.50    (#   2968:25  Unique         2.21, 2.45 A)
 &rst
  ixpk= 2968, nxpk= 25, iat= 167, 169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 PRO  HA          107 GLN  HB+         4.50    (#   2969:25  Unique         2.38, 3.48 A)
 &rst
  ixpk= 2969, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1584,1585,
 &end
#
#  100 GLN  HE2+        100 GLN  HG-         3.50    (#   2970:25  Unique         2.22, 3.42 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#  100 GLN  HN          100 GLN  HG+         5.50    (#   2971:25  Unique         1.87, 3.43 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=1484,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1491,1492,
 &end
#
#  120 LYS  HE-          25 LEU  MDY         3.50    (#   2972:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1810,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  120 LYS  HE+          25 LEU  MDY         3.50    (#   2973:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1810,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  129 LYS  HN          129 LYS  HG+         3.50    (#   2974:25  Unique         2.18, 2.95 A)
 &rst
  ixpk= 2974, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1957,1958,
 &end
#
#  122 ARG  HN          123 VAL  MGY         5.50    (#   2975:25  Unique         4.39, 6.14 A)
 &rst
  ixpk= 2975, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   87 PRO  HD+          86 LEU  MDX         4.50    (#   2979:25  Unique         2.72, 4.99 A)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1266,1267,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#  129 LYS  HB+         129 LYS  HE+         3.50    (#   2982:25  Unique         2.28, 4.11 A)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1954,1955,
 igr2=1963,1964,
 &end
#
#    0 AMB  25-2:2983     0 AMB  25-1:2983   5.50    (#   2983:25  Double Ambig)
 &rst
  ixpk= 2983, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1163,1462,
 igr2=1452,1453,1452,1453,
 &end
#
#  122 ARG  HD+         122 ARG  HG+         3.50    (#   2984:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#  122 ARG  HD+         122 ARG  HG-         3.50    (#   2985:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#   99 TRP  HE3          79 LEU  MDY         3.50    (#   2986:25  Unique         2.43, 4.47 A)
 &rst
  ixpk= 2986, nxpk= 25, iat=1479,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HZ3          79 LEU  MDY         5.50    (#   2987:25  Unique         3.76, 6.06 A)
 &rst
  ixpk= 2987, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HA           79 LEU  MDY         4.50    (#   2988:25  Unique         2.34, 4.25 A)
 &rst
  ixpk= 2988, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HB-          79 LEU  MDY         4.50    (#   2989:25  Unique         2.25, 4.43 A)
 &rst
  ixpk= 2989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1464,1465,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HB+          79 LEU  MDY         4.50    (#   2990:25  Unique         2.25, 4.43 A)
 &rst
  ixpk= 2990, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1464,1465,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB+          79 LEU  MDY         3.50    (#   2991:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2991, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HG           79 LEU  MDY         3.50    (#   2993:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   18 ALA  MB           79 LEU  MDY         4.50    (#   2995:25  Unique         3.25, 5.25 A)
 &rst
  ixpk= 2995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 300, 301, 302,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HA           79 LEU  HG          4.50    (#   2996:25  Unique         2.26, 2.47 A)
 &rst
  ixpk= 2996, nxpk= 25, iat=1163,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  MDY          79 LEU  HG          3.50    (#   2997:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2997, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  MDX          79 LEU  HG          2.80    (#   2998:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#  120 LYS  HB-         120 LYS  HE+         5.50    (#   2999:25  Unique         2.13, 3.73 A)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1800,1801,
 igr2=1809,1810,
 &end
#
#  104 PRO  HG+         104 PRO  HD-         3.50    (#   3000:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 3000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#  104 PRO  HG+         104 PRO  HD+         3.50    (#   3001:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 3001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#   51 GLU  HA           53 VAL  MGX         5.50    (#   3002:25  Unique         5.08, 6.67 A)
 &rst
  ixpk= 3002, nxpk= 25, iat= 763,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   49 MET  HA           53 VAL  MGX         5.50    (#   3003:25  Unique         4.62, 6.70 A)
 &rst
  ixpk= 3003, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   96 PHE  HB-          91 VAL  MGY         5.50    (#   3005:25  Unique         3.79, 6.16 A)
 &rst
  ixpk= 3005, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1417,1418,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    0 AMB  25-2:3007     0 AMB  25-1:3007   2.80    (#   3007:25  Double Ambig)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 306, 321,
 igr2= 310, 311, 310, 311,
 &end
#
#   79 LEU  HG           79 LEU  HB+         5.50    (#   3008:25  Unique         2.39, 2.83 A)
 &rst
  ixpk= 3008, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1165,1166,
 &end
#
#    0 AMB  25-2:3009   112 PHE  HA          5.50    (#   3009:25  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1548,1549,1629,
 &end
#
#   41 ARG  HA           62 SER  HB+         5.50    (#   3010:25  Unique         2.82, 5.00 A)
 &rst
  ixpk= 3010, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#  113 ARG  HD-          49 MET  ME          5.50    (#   3012:25  Unique         3.01, 5.48 A)
 &rst
  ixpk= 3012, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1688,1689,
 igr2= 738, 739, 740,
 &end
#
#    5 MET  HG+          34 SER  HA          5.50    (#   3013:25  Unique         3.96, 4.80 A)
 &rst
  ixpk= 3013, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  88,  89,
 &end
#
#    0 AMB  25-2:3014    34 SER  HA          5.50    (#   3014:25  Single Ambig)
 &rst
  ixpk= 3014, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 100, 531,
 &end
#
#   88 PRO  HA           87 PRO  HB+         4.50    (#   3015:25  Unique         4.80, 5.29 A)
 &rst
  ixpk= 3015, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1272,1273,
 &end
#
#   21 PHE  HB+         123 VAL  HB          3.50    (#   3016:25  Unique         3.44, 3.79 A)
 &rst
  ixpk= 3016, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#  112 PHE  HB+         111 VAL  HB          5.50    (#   3017:25  Unique         4.90, 5.67 A)
 &rst
  ixpk= 3017, nxpk= 25, iat=  -1,1646, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  120 LYS  HE-         123 VAL  HB          4.50    (#   3018:25  Unique         4.22, 4.71 A)
 &rst
  ixpk= 3018, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1809,1810,
 &end
#
#  120 LYS  HA          123 VAL  HB          2.80    (#   3019:25  Unique         2.63, 2.82 A)
 &rst
  ixpk= 3019, nxpk= 25, iat=1798,1861, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 TRP  HD1          87 PRO  HB-         3.50    (#   3020:25  Unique         2.29, 4.05 A)
 &rst
  ixpk= 3020, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1272,1273,
 &end
#
#   88 PRO  HD+          87 PRO  HB-         2.80    (#   3021:25  Unique         2.25, 3.02 A)
 &rst
  ixpk= 3021, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1272,1273,
 &end
#
#   87 PRO  HD-          87 PRO  HB+         3.50    (#   3023:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1272,1273,
 &end
#
#   67 ASN  HD2+         64 PRO  HD+         4.50    (#   3027:25  Unique         2.25, 4.31 A)
 &rst
  ixpk= 3027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 993, 994,
 igr2= 937, 938,
 &end
#
#   64 PRO  HG+          64 PRO  HD+         3.50    (#   3028:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 940, 941,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-2:3029     0 AMB  25-1:3029   3.50    (#   3029:25  Double Ambig)
 &rst
  ixpk= 3029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 988, 989, 943, 944,
 igr2= 937, 938, 937, 938,
 &end
#
#   64 PRO  HB-          64 PRO  HD+         2.80    (#   3030:25  Unique         2.67, 3.66 A)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 943, 944,
 igr2= 937, 938,
 &end
#
#   87 PRO  HB-          87 PRO  HD-         3.50    (#   3031:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   86 LEU  MDX          87 PRO  HD+         4.50    (#   3034:25  Unique         2.72, 4.99 A)
 &rst
  ixpk= 3034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1266,1267,
 &end
#
#   86 LEU  MDX          87 PRO  HD-         4.50    (#   3035:25  Unique         2.72, 4.99 A)
 &rst
  ixpk= 3035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1266,1267,
 &end
#
#    6 PHE  HE           77 ILE  QG2         3.50    (#   3036:25  Unique         2.30, 5.37 A)
 &rst
  ixpk= 3036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 108, 112,
 igr2=1137,1138,1139,
 &end
#
#   47 ILE  QD1          47 ILE  HA          2.80    (#   3037:25  Unique         2.67, 3.59 A)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 711, 712, 713,
 &end
#
#   21 PHE  HD          119 VAL  HB          3.50    (#   3039:25  Unique         2.98, 5.36 A)
 &rst
  ixpk= 3039, nxpk= 25, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 336, 344,
 &end
#
#   22 ALA  HN           18 ALA  HA          5.50    (#   3040:25  Unique         3.64, 3.76 A)
 &rst
  ixpk= 3040, nxpk= 25, iat= 348, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 PRO  HA          107 GLN  HG-         3.50    (#   3041:25  Unique         1.99, 2.62 A)
 &rst
  ixpk= 3041, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#    0 AMB  25-2:3043   117 GLY  HA-         4.50    (#   3043:25  Single Ambig)
 &rst
  ixpk= 3043, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1784,1767,1768,
 igr2=1758,1759,
 &end
#
#   21 PHE  HB-          17 MET  ME          4.50    (#   3045:25  Unique         3.42, 5.40 A)
 &rst
  ixpk= 3045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 332, 333,
 igr2= 290, 291, 292,
 &end
#
#   35 CYS  HN            8 CYS  HB-         5.50    (#   3050:25  Unique         3.89, 5.30 A)
 &rst
  ixpk= 3050, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 138, 139,
 &end
#
#    8 CYS  HA            8 CYS  HB-         4.50    (#   3051:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 3051, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#   90 TRP  HN           89 GLU  HB-         5.50    (#   3055:25  Unique         2.39, 3.39 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1297,1298,
 &end
#
#   90 TRP  HN           89 GLU  HB+         5.50    (#   3056:25  Unique         2.39, 3.39 A)
 &rst
  ixpk= 3056, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1297,1298,
 &end
#
#  112 PHE  HB+          49 MET  ME          4.50    (#   3057:25  Unique         4.02, 4.96 A)
 &rst
  ixpk= 3057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1662,1663,
 igr2= 738, 739, 740,
 &end
#
#   86 LEU  HG           85 ASN  HA          5.50    (#   3061:25  Unique         3.78, 4.23 A)
 &rst
  ixpk= 3061, nxpk= 25, iat=1253,1234, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   86 LEU  HB+          90 TRP  HB+         5.50    (#   3063:25  Unique         2.18, 2.93 A)
 &rst
  ixpk= 3063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1250,1251,
 igr2=1312,1313,
 &end
#
#   52 GLU  HG+          52 GLU  HB-         2.80    (#   3066:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 3066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 783, 784,
 igr2= 780, 781,
 &end
#
#  127 ILE  HA          126 LEU  HG          5.50    (#   3067:25  Unique         3.40, 3.48 A)
 &rst
  ixpk= 3067, nxpk= 25, iat=1923,1909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3068     8 CYS  HA          4.50    (#   3068:25  Single Ambig)
 &rst
  ixpk= 3068, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 138, 139, 255, 256,
 &end
#
#    8 CYS  HB-           8 CYS  HA          4.50    (#   3069:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 138, 139,
 &end
#
#   37 LEU  MDX          12 SER  HB+         3.50    (#   3071:25  Unique         2.12, 5.44 A)
 &rst
  ixpk= 3071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 209, 210,
 &end
#
#   37 LEU  MDY          12 SER  HB+         3.50    (#   3072:25  Unique         2.12, 5.44 A)
 &rst
  ixpk= 3072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 209, 210,
 &end
#
#    0 AMB  25-2:3073     0 AMB  25-1:3073   3.50    (#   3073:25  Double Ambig)
 &rst
  ixpk= 3073, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 551, 552, 266, 267, 554,
 igr2= 209, 210, 209, 210, 209, 210,
 &end
#
#   16 GLN  HB-          12 SER  HB+         3.50    (#   3075:25  Unique         2.20, 3.86 A)
 &rst
  ixpk= 3075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 266, 267,
 igr2= 209, 210,
 &end
#
#   37 LEU  HN           12 SER  HB+         5.50    (#   3077:25  Unique         4.83, 5.91 A)
 &rst
  ixpk= 3077, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 209, 210,
 &end
#
#   12 SER  HN           12 SER  HB+         4.50    (#   3078:25  Unique         2.33, 3.18 A)
 &rst
  ixpk= 3078, nxpk= 25, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 209, 210,
 &end
#
#    0 AMB  25-2:3079     0 AMB  25-1:3079   4.50    (#   3079:25  Double Ambig)
 &rst
  ixpk= 3079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1524,1525, 174, 175,
 igr2=1557, 229,
 &end
#
#   18 ALA  HN           15 SER  HA          5.50    (#   3080:25  Unique         2.94, 3.18 A)
 &rst
  ixpk= 3080, nxpk= 25, iat= 296, 253, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HD+         116 ARG  HG+         3.50    (#   3086:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD+         116 ARG  HG-         4.50    (#   3087:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HA          116 ARG  HG+         3.50    (#   3088:25  Unique         3.22, 3.54 A)
 &rst
  ixpk= 3088, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#  116 ARG  HA          116 ARG  HG-         3.50    (#   3089:25  Unique         3.22, 3.54 A)
 &rst
  ixpk= 3089, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#   21 PHE  HD          116 ARG  HG+         4.50    (#   3090:25  Unique         4.79, 6.30 A)
 &rst
  ixpk= 3090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 336, 344,
 igr2=1739,1740,
 &end
#
#   21 PHE  HE          116 ARG  HG+         4.50    (#   3091:25  Unique         2.36, 4.31 A)
 &rst
  ixpk= 3091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 338, 342,
 igr2=1739,1740,
 &end
#
#   21 PHE  HD          116 ARG  HG-         4.50    (#   3092:25  Unique         4.79, 6.30 A)
 &rst
  ixpk= 3092, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 336, 344,
 igr2=1739,1740,
 &end
#
#   21 PHE  HE          116 ARG  HG-         4.50    (#   3093:25  Unique         2.36, 4.31 A)
 &rst
  ixpk= 3093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 338, 342,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD-         116 ARG  HG+         3.50    (#   3094:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD-         116 ARG  HG-         4.50    (#   3095:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3095, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#   53 VAL  MGX         116 ARG  HG-         4.50    (#   3097:25  Unique         3.62, 5.66 A)
 &rst
  ixpk= 3097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1739,1740,
 &end
#
#   57 ILE  QD1          16 GLN  HB-         4.50    (#   3098:25  Unique         3.09, 5.25 A)
 &rst
  ixpk= 3098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 858, 859, 860,
 igr2= 266, 267,
 &end
#
#   37 LEU  MDX          16 GLN  HB-         4.50    (#   3099:25  Unique         2.49, 6.08 A)
 &rst
  ixpk= 3099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 266, 267,
 &end
#
#   16 GLN  HA           16 GLN  HB-         3.50    (#   3100:25  Unique         2.23, 2.59 A)
 &rst
  ixpk= 3100, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 266, 267,
 &end
#
#   16 GLN  HA           16 GLN  HB+         3.50    (#   3101:25  Unique         2.23, 2.59 A)
 &rst
  ixpk= 3101, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 266, 267,
 &end
#
#   16 GLN  HN           16 GLN  HB-         5.50    (#   3102:25  Unique         2.19, 2.80 A)
 &rst
  ixpk= 3102, nxpk= 25, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 266, 267,
 &end
#
#   16 GLN  HN           16 GLN  HB+         5.50    (#   3103:25  Unique         2.19, 2.80 A)
 &rst
  ixpk= 3103, nxpk= 25, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 266, 267,
 &end
#
#   14 ARG  HN           16 GLN  HB-         5.50    (#   3104:25  Unique         5.12, 6.27 A)
 &rst
  ixpk= 3104, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 266, 267,
 &end
#
#  126 LEU  MDY         124 GLU  HA          4.50    (#   3109:25  Unique         4.58, 7.00 A)
 &rst
  ixpk= 3109, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#   49 MET  HA           52 GLU  HB-         4.50    (#   3111:25  Unique         2.33, 3.80 A)
 &rst
  ixpk= 3111, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   36 GLY  HN           36 GLY  HA-         5.50    (#   3112:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 3112, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#    8 CYS  HN           36 GLY  HA-         5.50    (#   3113:25  Unique         2.41, 3.94 A)
 &rst
  ixpk= 3113, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#   37 LEU  HN           36 GLY  HA-         3.50    (#   3114:25  Unique         2.21, 3.02 A)
 &rst
  ixpk= 3114, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#    7 VAL  MGX          36 GLY  HA-         4.50    (#   3119:25  Unique         2.49, 6.10 A)
 &rst
  ixpk= 3119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-2:3122    75 VAL  HB          4.50    (#   3122:25  Single Ambig)
 &rst
  ixpk= 3122, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1091,1092,1366,1367,
 &end
#
#   29 LYS  HN           29 LYS  HG+         4.50    (#   3124:25  Unique         2.87, 3.46 A)
 &rst
  ixpk= 3124, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 444, 445,
 &end
#
#   29 LYS  HN           29 LYS  HG+         3.50    (#   3125:25  Unique         2.87, 3.46 A)
 &rst
  ixpk= 3125, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 444, 445,
 &end
#
#    0 AMB  25-2:3126     0 AMB  25-1:3126   4.50    (#   3126:25  Double Ambig)
 &rst
  ixpk= 3126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 432, 433, 422,
 igr2= 444, 445, 444, 445,
 &end
#
#    2 LYS  HE+          29 LYS  HG+         5.50    (#   3128:25  Unique         5.95, 6.88 A)
 &rst
  ixpk= 3128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  34,  35,
 igr2= 444, 445,
 &end
#
#   45 THR  MG2         109 LEU  HA          5.50    (#   3129:25  Unique         3.32, 4.48 A)
 &rst
  ixpk= 3129, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 680, 681, 682,
 &end
#
#  111 VAL  HN          109 LEU  HA          4.50    (#   3130:25  Unique         4.20, 4.33 A)
 &rst
  ixpk= 3130, nxpk= 25, iat=1642,1610, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  110 GLU  HN          109 LEU  HA          5.50    (#   3131:25  Unique         3.49, 3.52 A)
 &rst
  ixpk= 3131, nxpk= 25, iat=1627,1610, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3132    68 PHE  HB-         5.50    (#   3132:25  Single Ambig)
 &rst
  ixpk= 3132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1074,1083,1316,
 igr2=1002,1003,
 &end
#
#   86 LEU  HB-          86 LEU  HA          2.80    (#   3136:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3136, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1250,1251,
 &end
#
#   86 LEU  HB+          86 LEU  HA          3.50    (#   3137:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#   86 LEU  HG           86 LEU  HA          3.50    (#   3138:25  Unique         2.97, 3.13 A)
 &rst
  ixpk= 3138, nxpk= 25, iat=1253,1248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 PRO  HG-          86 LEU  HA          4.50    (#   3139:25  Unique         4.39, 4.57 A)
 &rst
  ixpk= 3139, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1269,1270,
 &end
#
#   86 LEU  HN           86 LEU  HA          4.50    (#   3141:25  Unique         2.82, 2.93 A)
 &rst
  ixpk= 3141, nxpk= 25, iat=1246,1248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   87 PRO  HG+          87 PRO  HD+         2.80    (#   3142:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1269,1270,
 igr2=1266,1267,
 &end
#
#   87 PRO  HB-          87 PRO  HD+         3.50    (#   3143:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 3143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   53 VAL  MGX         116 ARG  HD-         4.50    (#   3144:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 3144, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1742,1743,
 &end
#
#   49 MET  HB-         116 ARG  HD-         4.50    (#   3145:25  Unique         3.30, 5.02 A)
 &rst
  ixpk= 3145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1742,1743,
 &end
#
#    0 AMB  25-2:3146   116 ARG  HD-         3.50    (#   3146:25  Single Ambig)
 &rst
  ixpk= 3146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1736,1737,1739,1740,
 igr2=1742,1743,
 &end
#
#  116 ARG  HG+         116 ARG  HD-         3.50    (#   3147:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1739,1740,
 igr2=1742,1743,
 &end
#
#  116 ARG  HB+         116 ARG  HD-         4.50    (#   3148:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 3148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1736,1737,
 igr2=1742,1743,
 &end
#
#  115 VAL  HN          116 ARG  HD-         5.50    (#   3152:25  Unique         5.82, 6.57 A)
 &rst
  ixpk= 3152, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1742,1743,
 &end
#
#   86 LEU  HN           86 LEU  HB-         4.50    (#   3153:25  Unique         2.40, 3.10 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1250,1251,
 &end
#
#  111 VAL  MGY         107 GLN  HG+         3.50    (#   3154:25  Unique         2.35, 4.67 A)
 &rst
  ixpk= 3154, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2-        107 GLN  HG-         5.50    (#   3155:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 3155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGY         107 GLN  HB-         2.80    (#   3157:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 3157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#  111 VAL  MGX         107 GLN  HB-         3.50    (#   3158:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 3158, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#    0 AMB  25-2:3159    86 LEU  HG          5.50    (#   3159:25  Single Ambig)
 &rst
  ixpk= 3159, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1312,1313,1266,1267,
 &end
#
#   86 LEU  MDY          86 LEU  HB-         2.80    (#   3161:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HB-         3.50    (#   3162:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 3162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HB+         3.50    (#   3163:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   86 LEU  HN           86 LEU  MDX         5.50    (#   3164:25  Unique         3.45, 4.65 A)
 &rst
  ixpk= 3164, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:3165    86 LEU  HA          2.80    (#   3165:25  Single Ambig)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1255,1256,1257,1259,1260,1261,1222,1223,1224,1226,
      1227,1228,1222,1223,1224,1226,1227,1228,
 &end
#
#   18 ALA  MB           79 LEU  MDX         3.50    (#   3166:25  Unique         3.25, 5.25 A)
 &rst
  ixpk= 3166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HB-          79 LEU  HG          5.50    (#   3167:25  Unique         2.13, 3.23 A)
 &rst
  ixpk= 3167, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#   15 SER  HA           79 LEU  MDY         5.50    (#   3168:25  Unique         2.21, 3.55 A)
 &rst
  ixpk= 3168, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#  101 LEU  HB+          79 LEU  MDY         4.50    (#   3169:25  Unique         2.51, 5.89 A)
 &rst
  ixpk= 3169, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1505,1506,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   77 ILE  QG2          79 LEU  MDY         5.50    (#   3170:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 3170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1137,1138,1139,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    7 VAL  HN            7 VAL  MGX         4.50    (#   3180:25  Unique         2.17, 3.92 A)
 &rst
  ixpk= 3180, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   70 ALA  MB           76 VAL  MGX         5.50    (#   3181:25  Unique         2.31, 4.66 A)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1036,1037,1038,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   41 ARG  HD+          41 ARG  HG-         3.50    (#   3193:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 3193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 610, 611,
 &end
#
#   68 PHE  HA           68 PHE  HB-         3.50    (#   3195:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#   79 LEU  HG           99 TRP  HB-         5.50    (#   3196:25  Unique         2.13, 3.23 A)
 &rst
  ixpk= 3196, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#  113 ARG  HG-         110 GLU  HG+         4.50    (#   3206:25  Unique         4.69, 6.07 A)
 &rst
  ixpk= 3206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1685,1686,
 igr2=1634,1635,
 &end
#
#   99 TRP  HD1          99 TRP  HB+         5.50    (#   3209:25  Unique         3.31, 3.63 A)
 &rst
  ixpk= 3209, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#   90 TRP  HN           70 ALA  MB          5.50    (#   3217:25  Unique         3.35, 4.30 A)
 &rst
  ixpk= 3217, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#   10 ARG  HA           10 ARG  HB-         4.50    (#   3219:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 3219, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 171, 172,
 &end
#
#   10 ARG  HA           10 ARG  HB+         5.50    (#   3220:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 3220, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 171, 172,
 &end
#
#   10 ARG  HD+          10 ARG  HB-         2.80    (#   3222:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 171, 172,
 &end
#
#  105 ASP  HA           10 ARG  HA          5.50    (#   3223:25  Unique         5.13, 5.57 A)
 &rst
  ixpk= 3223, nxpk= 25, iat=1563, 169, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  129 LYS  HE+         129 LYS  HB+         3.50    (#   3224:25  Unique         2.28, 4.11 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1963,1964,
 igr2=1954,1955,
 &end
#
#  110 GLU  HN          110 GLU  HG+         3.50    (#   3225:25  Unique         1.81, 2.32 A)
 &rst
  ixpk= 3225, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1634,1635,
 &end
#
#    0 AMB  25-2:3226     0 AMB  25-1:3226   3.50    (#   3226:25  Double Ambig)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 281, 596, 597,
 igr2= 283, 284, 570, 571,
 &end
#
#    0 AMB  25-2:3229    95 ILE  HB          5.50    (#   3229:25  Single Ambig)
 &rst
  ixpk= 3229, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1911,1912,1913,1915,1916,1917,1909,
 &end
#
#   90 TRP  HE1          89 GLU  HG+         5.50    (#   3230:25  Unique         2.87, 3.81 A)
 &rst
  ixpk= 3230, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1300,1301,
 &end
#
#   96 PHE  HD           91 VAL  MGX         5.50    (#   3231:25  Unique         2.32, 6.16 A)
 &rst
  ixpk= 3231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1421,1429,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   31 ALA  HN           30 ILE  QG2         4.50    (#   3233:25  Unique         3.44, 4.39 A)
 &rst
  ixpk= 3233, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 465, 466, 467,
 &end
#
#   87 PRO  HD-          65 ILE  QG2         5.50    (#   3238:25  Unique         5.01, 6.38 A)
 &rst
  ixpk= 3238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1266,1267,
 igr2= 956, 957, 958,
 &end
#
#  120 LYS  HE-         120 LYS  HB+         5.50    (#   3240:25  Unique         2.13, 3.73 A)
 &rst
  ixpk= 3240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1809,1810,
 igr2=1800,1801,
 &end
#
#    5 MET  HB+           5 MET  ME          3.50    (#   3242:25  Unique         2.30, 4.15 A)
 &rst
  ixpk= 3242, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  85,  86,
 igr2=  92,  93,  94,
 &end
#
#   95 ILE  HN           95 ILE  QD1         5.50    (#   3243:25  Unique         4.38, 5.26 A)
 &rst
  ixpk= 3243, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1407,1408,1409,
 &end
#
#   97 GLU  HB+          77 ILE  QG2         4.50    (#   3244:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 3244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1437,1438,
 igr2=1137,1138,1139,
 &end
#
#  104 PRO  HG-         103 ASP  HA          4.50    (#   3245:25  Unique         3.76, 4.13 A)
 &rst
  ixpk= 3245, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  112 PHE  HA          115 VAL  HB          3.50    (#   3246:25  Unique         2.67, 3.17 A)
 &rst
  ixpk= 3246, nxpk= 25, iat=1660,1720, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HB          115 VAL  HB          5.50    (#   3247:25  Unique         4.80, 5.04 A)
 &rst
  ixpk= 3247, nxpk= 25, iat=1706,1720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 ARG  HA          123 VAL  MGY         5.50    (#   3248:25  Unique         5.58, 6.95 A)
 &rst
  ixpk= 3248, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  112 PHE  HN          111 VAL  MGY         4.50    (#   3249:25  Unique         3.61, 4.72 A)
 &rst
  ixpk= 3249, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#   26 GLY  HA+          30 ILE  HG1-        5.50    (#   3250:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 3250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 415, 416,
 igr2= 469, 470,
 &end
#
#    1 MET  HG+           1 MET  ME          3.50    (#   3251:25  Unique         2.57, 3.41 A)
 &rst
  ixpk= 3251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    3 LYS  HE+          31 ALA  MB          4.50    (#   3253:25  Unique         3.12, 4.89 A)
 &rst
  ixpk= 3253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  56,  57,
 igr2= 482, 483, 484,
 &end
#
#   44 PRO  HD-          42 VAL  MGY         3.50    (#   3256:25  Unique         3.77, 6.67 A)
 &rst
  ixpk= 3256, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 661, 662,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   95 ILE  HG1+         94 GLU  HG-         4.50    (#   3260:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#   95 ILE  HG1+         94 GLU  HG-         4.50    (#   3261:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#   95 ILE  HG1-         94 GLU  HG-         3.50    (#   3262:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#    0 AMB  25-2:3263     0 AMB  25-1:3263   4.50    (#   3263:25  Double Ambig)
 &rst
  ixpk= 3263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1978,1979,1980,1407,1408,1409,
 igr2=1386,1387,1386,1387,
 &end
#
#  121 GLU  HN          120 LYS  HE-         5.50    (#   3264:25  Unique         5.13, 5.89 A)
 &rst
  ixpk= 3264, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1809,1810,
 &end
#
#   88 PRO  HG-          88 PRO  HA          3.50    (#     34:25  Double Ambig)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1283,1284,
 &end
#
#   31 ALA  HA           31 ALA  MB          2.80    (#    622:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 622, nxpk= 25, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#   86 LEU  HB+          91 VAL  MGY         3.50    (#    798:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1250,1251,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HB-          91 VAL  MGY         4.50    (#    801:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HN           91 VAL  MGY         5.50    (#    807:25  Double Ambig)
 &rst
  ixpk= 807, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   21 PHE  HD           18 ALA  MB          5.50    (#    915:25  Single Ambig)
 &rst
  ixpk= 915, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 336, 344,
 igr2= 300, 301, 302,
 &end
#
#   32 VAL  MGY          23 LYS  HB+         4.50    (#   1016:25  Unique         2.12, 3.79 A)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 362, 363,
 &end
#
#    5 MET  HN          126 LEU  MDX         4.50    (#   1055:25  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:1078     0 AMB  25-1:1078   4.50    (#   1078:25  Double Ambig)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=   8,   9, 441, 442,
 igr2= 432, 433, 432, 433,
 &end
#
#   29 LYS  HB+          28 GLY  HA-         4.50    (#   1079:25  Unique         5.26, 5.87 A)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 441, 442,
 igr2= 432, 433,
 &end
#
#  131 SER  HA            0 AMB  25-1:1120   4.50    (#   1120:25  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1982,1983, 469, 470,
 &end
#
#   33 THR  HN           33 THR  MG2         4.50    (#   1178:25  Unique         4.58, 4.84 A)
 &rst
  ixpk= 1178, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 510, 511, 512,
 &end
#
#   47 ILE  HG1-         44 PRO  HA          3.50    (#   1307:25  Double Ambig)
 &rst
  ixpk= 1307, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   61 THR  MG2          60 GLN  HA          4.50    (#   1591:25  Unique         3.80, 5.47 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 905, 906, 907,
 &end
#
#   91 VAL  MGX          90 TRP  HB-         5.50    (#   1985:25  Double Ambig)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#   86 LEU  MDY          90 TRP  HB-         3.50    (#   1986:25  Double Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   86 LEU  HB+          90 TRP  HB-         3.50    (#   1979:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1312,1313,
 &end
#
#  121 GLU  HN          120 LYS  HE+         5.50    (#   2137:25  Double Ambig)
 &rst
  ixpk= 2137, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1809,1810,
 &end
#
#  122 ARG  HD-         101 LEU  HG          3.50    (#   2173:25  Unique         3.02, 4.34 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#    0 AMB  25-2:2192   102 GLU  HB+         2.80    (#   2192:25  Double Ambig)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1522,1548,1549,
 igr2=1524,1525,
 &end
#
#  108 SER  HN          111 VAL  MGX         4.50    (#   2319:25  Double Ambig)
 &rst
  ixpk= 2319, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  115 VAL  HB          112 PHE  HA          3.50    (#   2328:25  Unique         2.67, 3.17 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=1720,1660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          115 VAL  HA          3.50    (#   2378:25  Double Ambig)
 &rst
  ixpk= 2378, nxpk= 25, iat=1716,1718, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HB-         115 VAL  HA          3.50    (#   2381:25  Double Ambig)
 &rst
  ixpk= 2381, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1767,1768,
 &end
#
#  115 VAL  HB           14 ARG  HB+         4.50    (#   2714:25  Double Ambig)
 &rst
  ixpk= 2714, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 231, 232,
 &end
#
#   35 CYS  HN            8 CYS  HB+         5.50    (#   2719:25  Double Ambig)
 &rst
  ixpk= 2719, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 138, 139,
 &end
#
#    0 AMB  25-2:2918    60 GLN  HA          5.50    (#   2918:25  Double Ambig)
 &rst
  ixpk= 2918, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895, 274, 275,
 &end
#
#   47 ILE  HN           42 VAL  MGY         5.50    (#   2948:25  Unique         4.86, 7.16 A)
 &rst
  ixpk= 2948, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   93 GLN  HG+          91 VAL  MGY         5.50    (#   3004:25  Double Ambig)
 &rst
  ixpk= 3004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1369,1370,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   88 PRO  HD+          91 VAL  MGY         5.50    (#   3006:25  Unique         5.22, 7.20 A)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1280,1281,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   93 GLN  HG-          90 TRP  HB-         4.50    (#   3059:25  Double Ambig)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1369,1370,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:583     42 VAL  MGY         2.80    (#    583:25  Double Ambig)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 629, 868, 869,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   40 SER  HA           41 ARG  HD+         4.50    (#   1277:25  Unique         4.29, 5.30 A )
 &rst
  ixpk= 1277, nxpk= 25, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 613, 614,
 &end
#
#    7 VAL  MGX           6 PHE  HA          5.50    (#    850:25  Single Ambig)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   77 ILE  HG1-          6 PHE  HA          5.50    (#   3270:25  Single Ambig)
 &rst
  ixpk= 3270, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1141,1142,
 &end
#
#    6 PHE  HA           77 ILE  HG1-        5.50    (#   3391:25  Single Ambig)
 &rst
  ixpk= 3391, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1141,1142,
 &end
#
#    5 MET  HB+           6 PHE  HA          4.50    (#    847:25  Double Ambig)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  85,  86,
 &end
#
#   37 LEU  HB-          35 CYS  HA          4.50    (#   3271:25  Double Ambig)
 &rst
  ixpk= 3271, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 551, 552,
 &end
#
#   15 SER  HB+           6 PHE  HA          5.50    (#    844:25  Double Ambig)
 &rst
  ixpk= 844, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 255, 256,
 &end
#
#    8 CYS  HB+          35 CYS  HA          5.50    (#   3273:25  Double Ambig)
 &rst
  ixpk= 3273, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 138, 139,
 &end
#
#    6 PHE  HB+           6 PHE  HA          2.80    (#    845:25  Double Ambig)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 102, 103,
 &end
#
#   63 ASP  HB-          35 CYS  HA          4.50    (#   3274:25  Double Ambig)
 &rst
  ixpk= 3274, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#   35 CYS  HA           63 ASP  HB-         4.50    (#   3392:25  Double Ambig)
 &rst
  ixpk= 3392, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#   35 CYS  HA           63 ASP  HB+         4.50    (#   3393:25  Double Ambig)
 &rst
  ixpk= 3393, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#   63 ASP  HB+          35 CYS  HA          4.50    (#   3394:25  Double Ambig)
 &rst
  ixpk= 3394, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#    5 MET  HN            6 PHE  HA          5.50    (#   3275:25  Double Ambig)
 &rst
  ixpk= 3275, nxpk= 25, iat=  81, 100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HN            6 PHE  HB-         5.50    (#   3276:25  Double Ambig)
 &rst
  ixpk= 3276, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    5 MET  HN            6 PHE  HB+         5.50    (#   3277:25  Double Ambig)
 &rst
  ixpk= 3277, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    5 MET  HN            6 PHE  HB-         5.50    (#   3278:25  Double Ambig)
 &rst
  ixpk= 3278, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    7 VAL  HN            6 PHE  HB+         5.50    (#   3279:25  Double Ambig)
 &rst
  ixpk= 3279, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    8 CYS  HN            7 VAL  HB          5.50    (#   3280:25  Double Ambig)
 &rst
  ixpk= 3280, nxpk= 25, iat= 134, 122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 GLU  HG+          10 ARG  HA          4.50    (#   2965:25  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   10 ARG  HA           38 GLU  HG+         5.50    (#   3395:25  Single Ambig)
 &rst
  ixpk= 3395, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 573, 574,
 &end
#
#   38 GLU  HB+          10 ARG  HA          4.50    (#   3281:25  Single Ambig)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 570, 571,
 &end
#
#   10 ARG  HA           38 GLU  HB+         5.50    (#   3396:25  Single Ambig)
 &rst
  ixpk= 3396, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 570, 571,
 &end
#
#   10 ARG  HD+          10 ARG  HB+         2.80    (#   3221:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 171, 172,
 &end
#
#   10 ARG  HA           10 ARG  HD+         4.50    (#   3239:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3239, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 177, 178,
 &end
#
#   15 SER  HB+          14 ARG  HA          5.50    (#   3282:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3282, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 255, 256,
 &end
#
#   14 ARG  HA           14 ARG  HB+         3.50    (#   2479:25  Double Ambig)
 &rst
  ixpk= 2479, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 231, 232,
 &end
#
#   35 CYS  HB-          36 GLY  HA+         4.50    (#   2858:25  Double Ambig)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 533, 534,
 igr2= 542, 543,
 &end
#
#   37 LEU  MDX          37 LEU  HG          4.50    (#   3283:25  Double Ambig)
 &rst
  ixpk= 3283, nxpk= 25, iat=  -1, 554, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  MDY          37 LEU  HG          4.50    (#   3284:25  Double Ambig)
 &rst
  ixpk= 3284, nxpk= 25, iat=  -1, 554, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  HG           37 LEU  HG          3.50    (#   3285:25  Double Ambig)
#This appears to be self-referential: ignoring
#
#   37 LEU  HA           37 LEU  HG          3.50    (#   3286:25  Double Ambig)
 &rst
  ixpk= 3286, nxpk= 25, iat= 549, 554, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  HN           37 LEU  HG          4.50    (#   3287:25  Double Ambig)
 &rst
  ixpk= 3287, nxpk= 25, iat= 547, 554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 LEU  HN           37 LEU  MDX         5.50    (#   1221:25  Double Ambig)
 &rst
  ixpk= 1221, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  HN           37 LEU  MDY         4.50    (#   1045:25  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   42 VAL  HA           37 LEU  MDY         3.50    (#   1047:25  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 25, iat= 629,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#  124 GLU  HA           25 LEU  MDX         3.50    (#   3289:25  Double Ambig)
 &rst
  ixpk= 3289, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#    0 AMB  25-2:1048     0 AMB  25-1:1048   3.50    (#   1048:25  Double Ambig)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 647, 648, 332, 333, 138, 139,
 igr2= 556, 557, 558, 560, 561, 562, 403, 404, 405, 407,
       408, 409,
 &end
#
#   37 LEU  HB+          37 LEU  MDY         2.80    (#    511:25  Single Ambig)
 &rst
  ixpk= 511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 551, 552,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   16 GLN  HB-          37 LEU  MDY         2.80    (#   3292:25  Single Ambig)
 &rst
  ixpk= 3292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 266, 267,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  HB+          37 LEU  MDX         2.80    (#    585:25  Single Ambig)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 551, 552,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   60 GLN  HB-          37 LEU  MDX         3.50    (#   3293:25  Single Ambig)
 &rst
  ixpk= 3293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 886, 887,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   42 VAL  HA           37 LEU  MDX         2.80    (#   3294:25  Single Ambig)
 &rst
  ixpk= 3294, nxpk= 25, iat= 629,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   38 GLU  HB+          38 GLU  HA          2.80    (#    186:25  Single Ambig)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 570, 571,
 &end
#
#   38 GLU  HG+          38 GLU  HA          2.80    (#   3295:25  Single Ambig)
 &rst
  ixpk= 3295, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 573, 574,
 &end
#
#   39 SER  HN           39 SER  HB-         5.50    (#   3301:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3301, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 585, 586,
 &end
#
#   38 GLU  HB+          39 SER  HB-         4.50    (#   1246:25  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 570, 571,
 igr2= 585, 586,
 &end
#
#   41 ARG  HG+          40 SER  HB+         5.50    (#   3309:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 610, 611,
 igr2= 596, 597,
 &end
#
#   42 VAL  MGY          41 ARG  HA          5.50    (#   3310:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3310, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   40 SER  HN           41 ARG  HA          5.50    (#   3311:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3311, nxpk= 25, iat= 592, 605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   37 LEU  MDY          41 ARG  HG-         4.50    (#   3312:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 3312, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 610, 611,
 &end
#
#   41 ARG  HN           41 ARG  HG+         5.50    (#   3313:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 3313, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 610, 611,
 &end
#
#   41 ARG  HN           41 ARG  HG-         5.50    (#   3314:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 3314, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 610, 611,
 &end
#
#   37 LEU  MDX          42 VAL  MGY         2.80    (#     42:25  Double Ambig)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   42 VAL  MGY          42 VAL  MGY         2.80    (#   3315:25  Double Ambig)
#This appears to be self-referential: ignoring
#
#   43 HIS  HB-          42 VAL  HA          4.50    (#   3266:25  Double Ambig)
 &rst
  ixpk= 3266, nxpk= 25, iat=  -1, 629, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 647, 648,
 &end
#
#   43 HIS  HB+          42 VAL  HA          3.50    (#   3267:25  Double Ambig)
 &rst
  ixpk= 3267, nxpk= 25, iat=  -1, 629, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#   43 HIS  HN           42 VAL  HA          2.80    (#     39:25  Double Ambig)
 &rst
  ixpk= 39, nxpk= 25, iat= 643, 629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 SER  HN           78 SER  HB+         2.80    (#   3316:25  Double Ambig)
 &rst
  ixpk= 3316, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1154,1155,
 &end
#
#   42 VAL  HA           42 VAL  HB          2.80    (#   3317:25  Double Ambig)
 &rst
  ixpk= 3317, nxpk= 25, iat= 629, 631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 VAL  HN           37 LEU  MDX         3.50    (#    582:25  Single Ambig)
 &rst
  ixpk= 582, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   42 VAL  HN           42 VAL  MGY         3.50    (#   3318:25  Single Ambig)
 &rst
  ixpk= 3318, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   57 ILE  HN           56 ASP  HB+         5.50    (#   3319:25  Single Ambig)
 &rst
  ixpk= 3319, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  HN           56 ASP  HB-         5.50    (#   3320:25  Single Ambig)
 &rst
  ixpk= 3320, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  HA           56 ASP  HB-         5.50    (#   3321:25  Single Ambig)
 &rst
  ixpk= 3321, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  HA           56 ASP  HB+         5.50    (#   3322:25  Single Ambig)
 &rst
  ixpk= 3322, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  QD1          57 ILE  HA          4.50    (#   1539:25  Single Ambig)
 &rst
  ixpk= 1539, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 858, 859, 860,
 &end
#
#   47 ILE  HG1+         57 ILE  HA          4.50    (#   3323:25  Single Ambig)
 &rst
  ixpk= 3323, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 708, 709,
 &end
#
#   57 ILE  HB           57 ILE  HA          2.80    (#     51:25  Single Ambig)
 &rst
  ixpk= 51, nxpk= 25, iat= 849, 847, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 GLN  HG+          57 ILE  HA          2.80    (#   3324:25  Single Ambig)
 &rst
  ixpk= 3324, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 889, 890,
 &end
#
#   56 ASP  HB+          57 ILE  HA          5.50    (#   3325:25  Single Ambig)
 &rst
  ixpk= 3325, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   56 ASP  HB-          57 ILE  HA          5.50    (#   3326:25  Single Ambig)
 &rst
  ixpk= 3326, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   60 GLN  HE2-         57 ILE  HB          5.50    (#   1546:25  Single Ambig)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 894, 895,
 &end
#
#   16 GLN  HE2+         57 ILE  HB          5.50    (#   3327:25  Single Ambig)
 &rst
  ixpk= 3327, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 274, 275,
 &end
#
#   57 ILE  HN           57 ILE  HG1+        5.50    (#   3328:25  Unique         2.28, 2.82 A)
 &rst
  ixpk= 3328, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 855, 856,
 &end
#
#   57 ILE  QD1          57 ILE  HG1-        2.80    (#   1552:25  Single Ambig)
 &rst
  ixpk= 1552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 858, 859, 860,
 igr2= 855, 856,
 &end
#
#   47 ILE  HG1+         57 ILE  HG1-        2.80    (#   3329:25  Single Ambig)
 &rst
  ixpk= 3329, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 708, 709,
 igr2= 855, 856,
 &end
#
#   57 ILE  QD1          57 ILE  HG1+        2.80    (#   1553:25  Double Ambig)
 &rst
  ixpk= 1553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 858, 859, 860,
 igr2= 855, 856,
 &end
#
#   47 ILE  HG1+         57 ILE  HG1+        2.80    (#   3330:25  Single Ambig)
 &rst
  ixpk= 3330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 708, 709,
 igr2= 855, 856,
 &end
#
#   57 ILE  HB           57 ILE  HG1-        3.50    (#   1554:25  Single Ambig)
 &rst
  ixpk= 1554, nxpk= 25, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   50 MET  HG-          57 ILE  HG1-        3.50    (#   3331:25  Single Ambig)
 &rst
  ixpk= 3331, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 751, 752,
 igr2= 855, 856,
 &end
#
#   57 ILE  HG1-         50 MET  HG+         4.50    (#   3400:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 3400, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   57 ILE  HG1+         50 MET  HG+         4.50    (#   3401:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 3401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   57 ILE  HG1+         50 MET  HG-         4.50    (#   3402:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 3402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   57 ILE  HB           57 ILE  HG1+        3.50    (#   1555:25  Double Ambig)
 &rst
  ixpk= 1555, nxpk= 25, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   50 MET  HG-          57 ILE  HG1+        3.50    (#   3332:25  Single Ambig)
 &rst
  ixpk= 3332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 751, 752,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-2:1556    57 ILE  HG1-        3.50    (#   1556:25  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 708, 709, 692, 693, 694,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-2:1561    57 ILE  QD1         5.50    (#   1561:25  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 643, 727,
 igr2= 858, 859, 860,
 &end
#
#   60 GLN  HG+          60 GLN  HA          3.50    (#   3335:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 3335, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 890,
 &end
#
#   60 GLN  HB-          60 GLN  HA          3.50    (#   3336:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 3336, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 886, 887,
 &end
#
#   37 LEU  MDX          60 GLN  HB+         4.50    (#   1597:25  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 886, 887,
 &end
#
#   42 VAL  MGY          60 GLN  HB+         4.50    (#   3337:25  Double Ambig)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 886, 887,
 &end
#
#   37 LEU  MDX          60 GLN  HB-         4.50    (#   3338:25  Double Ambig)
 &rst
  ixpk= 3338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 886, 887,
 &end
#
#   42 VAL  MGY          60 GLN  HB-         4.50    (#   3339:25  Double Ambig)
 &rst
  ixpk= 3339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2-         60 GLN  HB+         5.50    (#   3340:25  Double Ambig)
 &rst
  ixpk= 3340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2-         60 GLN  HB-         5.50    (#   3341:25  Double Ambig)
 &rst
  ixpk= 3341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2+         60 GLN  HB-         5.50    (#   3342:25  Unique         1.92, 3.51 A)
 &rst
  ixpk= 3342, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   61 THR  HA           60 GLN  HG+         5.50    (#   3343:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3343, nxpk= 25, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 889, 890,
 &end
#
#   61 THR  HN           61 THR  HB          5.50    (#   3344:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3344, nxpk= 25, iat= 899, 903, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 LEU  HB+          24 THR  HB          4.50    (#   1604:25  Double Ambig)
 &rst
  ixpk= 1604, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 398, 399,
 &end
#
#   23 LYS  HG+          24 THR  HB          4.50    (#   1605:25  Double Ambig)
 &rst
  ixpk= 1605, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 365, 366,
 &end
#
#   25 LEU  HG           24 THR  HB          3.50    (#   1606:25  Double Ambig)
 &rst
  ixpk= 1606, nxpk= 25, iat= 401, 384, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  HA           61 THR  MG2         3.50    (#    590:25  Double Ambig)
 &rst
  ixpk= 590, nxpk= 25, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 905, 906, 907,
 &end
#
#  114 THR  HB          114 THR  MG2         2.80    (#   3348:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3348, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1708,1709,1710,
 &end
#
#   62 SER  HA           62 SER  HB+         5.50    (#   3349:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 3349, nxpk= 25, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#   63 ASP  HB-          63 ASP  HA          2.80    (#   1626:25  Double Ambig)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 928, 929,
 &end
#
#   85 ASN  HB-          85 ASN  HA          2.80    (#   3350:25  Double Ambig)
 &rst
  ixpk= 3350, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1236,1237,
 &end
#
#   63 ASP  HB+          63 ASP  HA          2.80    (#    202:25  Double Ambig)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 928, 929,
 &end
#
#   85 ASN  HB+          85 ASN  HA          2.80    (#   3351:25  Double Ambig)
 &rst
  ixpk= 3351, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1236,1237,
 &end
#
#   63 ASP  HA           63 ASP  HB+         2.80    (#   1632:25  Double Ambig)
 &rst
  ixpk= 1632, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 928, 929,
 &end
#
#   85 ASN  HA           85 ASN  HB+         2.80    (#   3352:25  Double Ambig)
 &rst
  ixpk= 3352, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1236,1237,
 &end
#
#   63 ASP  HA           63 ASP  HB-         3.50    (#   1633:25  Double Ambig)
 &rst
  ixpk= 1633, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 928, 929,
 &end
#
#   85 ASN  HA           85 ASN  HB-         3.50    (#   3353:25  Double Ambig)
 &rst
  ixpk= 3353, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1236,1237,
 &end
#
#   61 THR  HB           63 ASP  HB+         5.50    (#   1635:25  Double Ambig)
 &rst
  ixpk= 1635, nxpk= 25, iat= 903,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 928, 929,
 &end
#
#   72 ASP  HA           72 ASP  HB+         2.80    (#   3354:25  Double Ambig)
 &rst
  ixpk= 3354, nxpk= 25, iat=1056,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1058,1059,
 &end
#
#   77 ILE  HA           77 ILE  HG1+        5.50    (#   3355:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1141,1142,
 &end
#
#   77 ILE  HA           77 ILE  HG1-        5.50    (#   3356:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 3356, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1141,1142,
 &end
#
#   99 TRP  HH2          77 ILE  HG1-        4.50    (#   3357:25  Unique         2.77, 3.68 A)
 &rst
  ixpk= 3357, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#   76 VAL  HN           77 ILE  QD1         4.50    (#   3358:25  Unique         3.81, 4.67 A)
 &rst
  ixpk= 3358, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HN           77 ILE  QD1         4.50    (#   3359:25  Unique         3.81, 4.67 A)
 &rst
  ixpk= 3359, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   95 ILE  QG2          77 ILE  QD1         3.50    (#   1859:25  Single Ambig)
 &rst
  ixpk= 1859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1400,1401,1402,
 igr2=1144,1145,1146,
 &end
#
#   75 VAL  MGX          77 ILE  QD1         3.50    (#   3360:25  Single Ambig)
 &rst
  ixpk= 3360, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1144,1145,1146,
 &end
#
#   76 VAL  MGX          77 ILE  QD1         5.50    (#   1860:25  Single Ambig)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1144,1145,1146,
 &end
#
#   95 ILE  HG1+         77 ILE  QD1         3.50    (#   3361:25  Single Ambig)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1404,1405,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HB+          78 SER  HA          3.50    (#   3362:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3362, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   79 LEU  HN           79 LEU  HA          3.50    (#   3363:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3363, nxpk= 25, iat=1161,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 CYS  HN           79 LEU  HA          5.50    (#   3364:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3364, nxpk= 25, iat=1180,1163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  HB-          79 LEU  HA          2.80    (#   3365:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 3365, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1165,1166,
 &end
#
#   79 LEU  HG           79 LEU  HA          3.50    (#   3366:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 3366, nxpk= 25, iat=1168,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LEU  MDX          79 LEU  HB+         3.50    (#   3367:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 3367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  MDY          79 LEU  HB+         3.50    (#   3368:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 3368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  HN           79 LEU  MDX         5.50    (#   3369:25  Unique         2.68, 5.11 A)
 &rst
  ixpk= 3369, nxpk= 25, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB-          79 LEU  MDY         3.50    (#   3370:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   80 CYS  HB-          80 CYS  HA          3.50    (#   3371:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3371, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#   84 VAL  HB           80 CYS  HB-         3.50    (#   3372:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 3372, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGY          80 CYS  HB-         3.50    (#   1893:25  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   86 LEU  MDY          80 CYS  HB-         3.50    (#   3373:25  Single Ambig)
 &rst
  ixpk= 3373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGY          80 CYS  HB+         3.50    (#   1894:25  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   86 LEU  MDY          80 CYS  HB+         3.50    (#   3374:25  Single Ambig)
 &rst
  ixpk= 3374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1184,1185,
 &end
#
#   81 GLY  HA-          82 CYS  HB-         5.50    (#   3375:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   81 GLY  HA-          82 CYS  HB+         5.50    (#   3376:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   81 GLY  HA+          82 CYS  HB-         5.50    (#   3377:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   81 GLY  HA+          82 CYS  HB+         5.50    (#   3378:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   84 VAL  MGX          83 GLY  HA+         5.50    (#   3379:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGX          83 GLY  HA-         5.50    (#   3380:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGY          83 GLY  HA+         5.50    (#   3381:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3381, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGY          83 GLY  HA-         5.50    (#   3382:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3382, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   85 ASN  HB-          84 VAL  HA          4.50    (#   1926:25  Single Ambig)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1236,1237,
 &end
#
#   80 CYS  HB+          84 VAL  HA          4.50    (#   3383:25  Single Ambig)
 &rst
  ixpk= 3383, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   85 ASN  HN           84 VAL  HB          4.50    (#   3384:25  Unique         3.99, 4.20 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=1232,1220, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 VAL  HA           84 VAL  HB          4.50    (#   3385:25  Single Ambig)
 &rst
  ixpk= 3385, nxpk= 25, iat=1218,1220, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN           34 SER  HB+         5.50    (#   3386:25  Single Ambig)
 &rst
  ixpk= 3386, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#  119 VAL  HN          115 VAL  HA          4.50    (#   3241:25  Double Ambig)
 &rst
  ixpk= 3241, nxpk= 25, iat=1780,1718, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 CYS  HN           34 SER  HB+         5.50    (#   3387:25  Double Ambig)
 &rst
  ixpk= 3387, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   35 CYS  HN           34 SER  HB-         5.50    (#   3388:25  Double Ambig)
 &rst
  ixpk= 3388, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   33 THR  HN           34 SER  HB+         5.50    (#   3389:25  Double Ambig)
 &rst
  ixpk= 3389, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   33 THR  HN           34 SER  HB-         5.50    (#   3390:25  Double Ambig)
 &rst
  ixpk= 3390, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   86 LEU  HN           86 LEU  MDY         5.50    (#   3397:25  Double Ambig)
 &rst
  ixpk= 3397, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   80 CYS  HN           84 VAL  MGY         5.50    (#   1290:25  Double Ambig)
 &rst
  ixpk= 1290, nxpk= 25, iat=1180,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   38 GLU  HN           37 LEU  MDX         5.50    (#   3398:25  Double Ambig)
 &rst
  ixpk= 3398, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   60 GLN  HB+          42 VAL  MGY         4.50    (#   1292:25  Double Ambig)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 886, 887,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   60 GLN  HB+          37 LEU  MDX         4.50    (#   3399:25  Double Ambig)
 &rst
  ixpk= 3399, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 886, 887,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   40 SER  HN           39 SER  HB-         5.50    (#   3403:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3403, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 585, 586,
 &end
#
#    8 CYS  HN           36 GLY  HA+         5.50    (#   2854:25  Unique         2.41, 3.94 A)
 &rst
  ixpk= 2854, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#   37 LEU  HN           36 GLY  HA+         3.50    (#   2855:25  Unique         5.68, 7.13 A)
 &rst
  ixpk= 2855, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-2:1219    37 LEU  MDX         4.50    (#   1219:25  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 592, 540,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   66 GLU  HN           65 ILE  HA          3.50    (#   1643:25  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 25, iat= 969, 952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HN           65 ILE  HA          2.80    (#   1644:25  Double Ambig)
 &rst
  ixpk= 1644, nxpk= 25, iat= 950, 952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  109 LEU  HN          108 SER  HB-         3.50    (#   3405:25  Double Ambig)
 &rst
  ixpk= 3405, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#   91 VAL  HN           89 GLU  HA          4.50    (#   1956:25  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 25, iat=1332,1295, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 THR  HN           89 GLU  HA          3.50    (#   3406:25  Single Ambig)
 &rst
  ixpk= 3406, nxpk= 25, iat=1348,1295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HN           90 TRP  HA          3.50    (#   1764:25  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 25, iat=1332,1310, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           90 TRP  HA          4.50    (#   3407:25  Single Ambig)
 &rst
  ixpk= 3407, nxpk= 25, iat=1348,1310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 GLY  HA+         100 GLN  HG+         5.50    (#   3409:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1491,1492,
 &end
#
#   81 GLY  HA-         100 GLN  HG+         5.50    (#   3410:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 3410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1491,1492,
 &end
#
#   81 GLY  HA-         100 GLN  HG-         5.50    (#   3411:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 3411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1491,1492,
 &end
#
#   82 CYS  HA           82 CYS  HB-         5.50    (#   3412:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3412, nxpk= 25, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1202,1203,
 &end
#
#   82 CYS  HA           82 CYS  HB+         5.50    (#   3413:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1202,1203,
 &end
#
#   82 CYS  HB+          82 CYS  HA          5.50    (#   3414:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#   82 CYS  HB-          82 CYS  HA          5.50    (#   3415:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3415, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#  100 GLN  HA           82 CYS  HB-         4.50    (#   1913:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 1913, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1202,1203,
 &end
#
#  100 GLN  HA           82 CYS  HB+         5.50    (#   1914:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1202,1203,
 &end
#
#  100 GLN  HE2+         82 CYS  HB+         5.50    (#   3416:25  Double Ambig)
 &rst
  ixpk= 3416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1202,1203,
 &end
#
#  100 GLN  HE2+         82 CYS  HB-         5.50    (#   3417:25  Double Ambig)
 &rst
  ixpk= 3417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1202,1203,
 &end
#
#   82 CYS  HN           82 CYS  HA          5.50    (#   3135:25  Double Ambig)
 &rst
  ixpk= 3135, nxpk= 25, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 GLY  HA-          82 CYS  HA          5.50    (#   3133:25  Double Ambig)
 &rst
  ixpk= 3133, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1211,1212,
 &end
#
#   82 CYS  HB+          82 CYS  HA          5.50    (#     85:25  Double Ambig)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#   82 CYS  HB-          82 CYS  HA          5.50    (#   3418:25  Double Ambig)
 &rst
  ixpk= 3418, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#  100 GLN  HE2+         82 CYS  HA          5.50    (#   3134:25  Double Ambig)
 &rst
  ixpk= 3134, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1496,1497,
 &end
#
#  100 GLN  HE2-         82 CYS  HA          5.50    (#   3419:25  Double Ambig)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1496,1497,
 &end
#
#   81 GLY  HN           79 LEU  HA          5.50    (#   3420:25  Double Ambig)
 &rst
  ixpk= 3420, nxpk= 25, iat=1191,1163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HN           42 VAL  MGY         4.50    (#   1222:25  Double Ambig)
 &rst
  ixpk= 1222, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   84 VAL  HN           84 VAL  MGY         4.50    (#   3421:25  Double Ambig)
 &rst
  ixpk= 3421, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   65 ILE  HB           37 LEU  HA          5.50    (#   1198:25  Double Ambig)
 &rst
  ixpk= 1198, nxpk= 25, iat= 954, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  HN           37 LEU  HA          5.50    (#   3422:25  Double Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat= 950, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end


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