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
489887 2ktf cing 1-original 7 AMBER distance NOE ambi


#
#  104   TRP     HD1 104   TRP       H    4.50   (#            ARO)
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  104   TRP     HD1 104   TRP      HA    3.50   (#            ARO)
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73   LEU     QQD  99   GLU      QG    4.50   (#        3695:25)
 &rst
  ixpk= 3695, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1587,1588,
 &end
#
#   71   LEU     QQD 103   GLU      QB    5.50   (#        3685:25)
 &rst
  ixpk= 3685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1141,1142,1143,1145,1146,1147,
 igr2=1647,1648,
 &end
#
#    8   LEU      HA 104   TRP     HZ2    7.00   (#         0:FE3D)
 &rst
  ixpk= 0, nxpk= 25, iat= 131,1671, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72   ARG      HA 104   TRP     HD1    4.50   (#         1:FE3D)
 &rst
  ixpk= 1, nxpk= 25, iat=1153,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8   LEU      HA  89   PHE      QB    5.50   (#         2:FE3D)
 &rst
  ixpk= 2, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#    8   LEU      HA  88   VAL      HB    3.50   (#         3:FE3D)
 &rst
  ixpk= 3, nxpk= 25, iat= 131,1399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8   LEU      HA  88   VAL     QQG    3.50   (#         4:FE3D)
 &rst
  ixpk= 4, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HA  88   VAL     QQG    3.50   (#         5:FE3D)
 &rst
  ixpk= 5, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HA  84   ILE     QG1    7.00   (#         6:FE3D)
 &rst
  ixpk= 6, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1343,1344,
 &end
#
#    8   LEU      HA  92   LEU     QQD    5.50   (#         7:FE3D)
 &rst
  ixpk= 7, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#    8   LEU      HA  84   ILE      HB    7.00   (#         8:FE3D)
 &rst
  ixpk= 8, nxpk= 25, iat= 131,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   10   GLY      QA  85   ASP      QB    3.50   (#         9:FE3D)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 164, 165,
 igr2=1356,1357,
 &end
#
#   10   GLY      QA  85   ASP      QB    3.50   (#        10:FE3D)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 164, 165,
 igr2=1356,1357,
 &end
#
#   10   GLY      QA  88   VAL     QQG    3.50   (#        11:FE3D)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 164, 165,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   10   GLY      QA  88   VAL     QQG    3.50   (#        12:FE3D)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 164, 165,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        13:FE3D)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        14:FE3D)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        15:FE3D)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#   47   GLY      QA  93   PRO      QB    4.50   (#        16:FE3D)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 752,
 igr2=1493,1494,
 &end
#
#    6   LYS      QE  88   VAL     QQG    3.50   (#        20:FE3D)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 106, 107,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QB  88   VAL     QQG    3.50   (#        21:FE3D)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  97,  98,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QB  88   VAL     QQG    3.50   (#        22:FE3D)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  97,  98,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QD  88   VAL     QQG    3.50   (#        24:FE3D)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 103, 104,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QD  88   VAL     QQG    3.50   (#        25:FE3D)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 103, 104,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QD  88   VAL      HB    4.50   (#        26:FE3D)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 103, 104,
 &end
#
#    6   LYS      QD  89   PHE      QB    7.00   (#        27:FE3D)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 103, 104,
 igr2=1415,1416,
 &end
#
#    8   LEU      HG 104   TRP     HZ2    4.50   (#        28:FE3D)
 &rst
  ixpk= 28, nxpk= 25, iat= 136,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8   LEU      HG 104   TRP     HH2    5.50   (#        29:FE3D)
 &rst
  ixpk= 29, nxpk= 25, iat= 136,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8   LEU      HG  88   VAL      HB    5.50   (#        30:FE3D)
 &rst
  ixpk= 30, nxpk= 25, iat= 136,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8   LEU      HG  84   ILE      HB    7.00   (#        32:FE3D)
 &rst
  ixpk= 32, nxpk= 25, iat= 136,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    8   LEU      HG  84   ILE     QG2    7.00   (#        33:FE3D)
 &rst
  ixpk= 33, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1339,1340,1341,
 &end
#
#    8   LEU      HG  88   VAL     QQG    4.50   (#        34:FE3D)
 &rst
  ixpk= 34, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HG  88   VAL     QQG    4.50   (#        35:FE3D)
 &rst
  ixpk= 35, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HG 100   LEU     QQD    4.50   (#        36:FE3D)
 &rst
  ixpk= 36, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#    8   LEU      HG  92   LEU     QQD    4.50   (#        37:FE3D)
 &rst
  ixpk= 37, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   72   ARG      QB 104   TRP     HD1    7.00   (#        38:FE3D)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1155,1156,
 &end
#
#   72   ARG      QB  99   GLU      QG    5.50   (#        39:FE3D)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1155,1156,
 igr2=1587,1588,
 &end
#
#   73   LEU      HG 104   TRP     HD1    4.50   (#        40:FE3D)
 &rst
  ixpk= 40, nxpk= 25, iat=1182,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73   LEU      HG 104   TRP      QB    7.00   (#        42:FE3D)
 &rst
  ixpk= 42, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1662,1663,
 &end
#
#   73   LEU      HG 103   GLU      QG    5.50   (#        43:FE3D)
 &rst
  ixpk= 43, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#    8   LEU     QQD 104   TRP     HZ2    4.50   (#        45:FE3D)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QE    4.50   (#        46:FE3D)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1421,1425,
 &end
#
#    8   LEU     QQD 104   TRP     HH2    3.50   (#        47:FE3D)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QD    4.50   (#        48:FE3D)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1419,1427,
 &end
#
#    8   LEU     QQD  88   VAL      HB    3.50   (#        49:FE3D)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  84   ILE      HB    4.50   (#        51:FE3D)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    4.50   (#        52:FE3D)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    4.50   (#        53:FE3D)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  92   LEU      QB    4.50   (#        54:FE3D)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1471,1472,
 &end
#
#    8   LEU     QQD  97   GLN      QG    4.50   (#        55:FE3D)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1548,1549,
 &end
#
#    8   LEU     QQD  92   LEU      QB    4.50   (#        56:FE3D)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1471,1472,
 &end
#
#    8   LEU     QQD  84   ILE      HB    5.50   (#        58:FE3D)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QB    5.50   (#        59:FE3D)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1415,1416,
 &end
#
#   73   LEU     QQD 104   TRP     HD1    4.50   (#        60:FE3D)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   73   LEU     QQD  99   GLU      QG    5.50   (#        61:FE3D)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1587,1588,
 &end
#
#   73   LEU     QQD 103   GLU      QG    3.50   (#        62:FE3D)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1650,1651,
 &end
#
#   73   LEU     QQD  99   GLU      QG    4.50   (#        63:FE3D)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1587,1588,
 &end
#
#   73   LEU     QQD  99   GLU      QB    4.50   (#        64:FE3D)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1584,1585,
 &end
#
#   73   LEU     QQD 103   GLU      QB    4.50   (#        65:FE3D)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1647,1648,
 &end
#
#   70   VAL     QQG 104   TRP     HZ2    4.50   (#        66:FE3D)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  89   PHE      QD    5.50   (#        67:FE3D)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1419,1427,
 &end
#
#   70   VAL     QQG  89   PHE      HA    5.50   (#        69:FE3D)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  99   GLU      QB    5.50   (#        70:FE3D)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1584,1585,
 &end
#
#   70   VAL     QQG  96   VAL      HB    5.50   (#        71:FE3D)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  88   VAL     QQG    7.00   (#        72:FE3D)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   70   VAL     QQG  92   LEU      QB    4.50   (#        73:FE3D)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1471,1472,
 &end
#
#   70   VAL     QQG  88   VAL     QQG    5.50   (#        74:FE3D)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   70   VAL     QQG  96   VAL     QQG    4.50   (#        75:FE3D)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   70   VAL     QQG  96   VAL     QQG    4.50   (#        76:FE3D)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   70   VAL     QQG  97   GLN      QG    4.50   (#        77:FE3D)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1548,1549,
 &end
#
#   70   VAL     QQG  92   LEU     QQD    3.50   (#        78:FE3D)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   70   VAL     QQG 104   TRP     HH2    5.50   (#        79:FE3D)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   70   VAL     QQG  88   VAL     QQG    4.50   (#        80:FE3D)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1122,1123,1124,1126,1127,1128,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    9   THR     QG2  83   ASP      QB    4.50   (#        81:FE3D)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 154, 155, 156,
 igr2=1325,1326,
 &end
#
#    9   THR     QG2  83   ASP      QB    4.50   (#        82:FE3D)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 154, 155, 156,
 igr2=1325,1326,
 &end
#
#    9   THR     QG2  84   ILE      HB    7.00   (#        83:FE3D)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 154, 155, 156,
 &end
#
#   44   ILE     QG2  93   PRO      QB    4.50   (#        84:FE3D)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1493,1494,
 &end
#
#   44   ILE     QG2  93   PRO      QG    4.50   (#        85:FE3D)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1490,1491,
 &end
#
#   44   ILE     QG2  93   PRO      QB    4.50   (#        86:FE3D)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2=1493,1494,
 &end
#
#   44   ILE     QG2  88   VAL     QQG    5.50   (#        87:FE3D)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 706, 707, 708,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   44   ILE     QG2  92   LEU     QQD    4.50   (#        88:FE3D)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 706, 707, 708,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   44   ILE     QG2  91   GLU      QB    5.50   (#        89:FE3D)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708,
 igr2=1456,1457,
 &end
#
#   68   HIS     HD2  88   VAL     QQG    5.50   (#        90:FE3D)
 &rst
  ixpk= 90, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   68   HIS     HD2  88   VAL     QQG    5.50   (#        91:FE3D)
 &rst
  ixpk= 91, nxpk= 25, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QE  88   VAL     QG2    3.50   (#        93:FE3D)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 106, 107,
 igr2=1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QQG    5.50   (#        95:FE3D)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 101,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QG2    4.50   (#        96:FE3D)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 100, 101,
 igr2=1405,1406,1407,
 &end
#
#   73   LEU      HG 107   THR     QG2    5.50   (#        97:FE3D)
 &rst
  ixpk= 97, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#   73   LEU      HG 100   LEU     QQD    5.50   (#        99:FE3D)
 &rst
  ixpk= 99, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   73   LEU     QQD  99   GLU      QB    4.50   (#       100:FE3D)
 &rst
  ixpk= 100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1584,1585,
 &end
#
#   73   LEU     QQD 107   THR     QG2    5.50   (#       104:FE3D)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1734,1735,1736,
 &end
#
#   73   LEU     QQD 100   LEU     QQD    4.50   (#       106:FE3D)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   44   ILE     QG2  96   VAL     QQG    3.50   (#       108:FE3D)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   68   HIS     HE1  91   GLU      QG    4.50   (#       111:FE3D)
 &rst
  ixpk= 111, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   68   HIS     HE1  88   VAL     QQG    4.50   (#       112:FE3D)
 &rst
  ixpk= 112, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   68   HIS     HE1  88   VAL     QQG    4.50   (#       113:FE3D)
 &rst
  ixpk= 113, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      HA 104   TRP     HH2    7.00   (#       114:FE3D)
 &rst
  ixpk= 114, nxpk= 25, iat= 131,1673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    8   LEU      QB 104   TRP     HZ2    4.50   (#       116:FE3D)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 133, 134,
 &end
#
#    8   LEU     QQD 104   TRP     HZ2    3.50   (#       117:FE3D)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU     QQD  89   PHE      QE    4.50   (#       118:FE3D)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1421,1425,
 &end
#
#   73   LEU     QQD 104   TRP     HD1    3.50   (#       120:FE3D)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#    8   LEU     QQD 104   TRP     HH2    3.50   (#       122:FE3D)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8   LEU      QB 104   TRP     HH2    5.50   (#       123:FE3D)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 133, 134,
 &end
#
#    8   LEU     QQD  89   PHE      QD    3.50   (#       124:FE3D)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1419,1427,
 &end
#
#    8   LEU     QQD  89   PHE      QB    5.50   (#       128:FE3D)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1415,1416,
 &end
#
#    9   THR      HA  83   ASP      QB    5.50   (#       129:FE3D)
 &rst
  ixpk= 129, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#    9   THR      HB  83   ASP      QB    4.50   (#       130:FE3D)
 &rst
  ixpk= 130, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1325,1326,
 &end
#
#    9   THR      HB  83   ASP      QB    4.50   (#       131:FE3D)
 &rst
  ixpk= 131, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1325,1326,
 &end
#
#   73   LEU     QQD 103   GLU      QG    4.50   (#       132:FE3D)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1650,1651,
 &end
#
#   72   ARG      HA 103   GLU      QG    4.50   (#       133:FE3D)
 &rst
  ixpk= 133, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1650,1651,
 &end
#
#   73   LEU      QB 103   GLU      QG    5.50   (#       134:FE3D)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1179,1180,
 igr2=1650,1651,
 &end
#
#    8   LEU     QQD  88   VAL      HB    3.50   (#       135:FE3D)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    6   LYS      QE  88   VAL      HB    5.50   (#       136:FE3D)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 106, 107,
 &end
#
#    8   LEU      QB  88   VAL      HB    5.50   (#       137:FE3D)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 133, 134,
 &end
#
#   73   LEU     QQD 103   GLU      QB    4.50   (#       139:FE3D)
 &rst
  ixpk= 139, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1647,1648,
 &end
#
#    9   THR      HA  84   ILE      HB    5.50   (#       141:FE3D)
 &rst
  ixpk= 141, nxpk= 25, iat= 150,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8   LEU      QB  84   ILE      HB    5.50   (#       142:FE3D)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 133, 134,
 &end
#
#   73   LEU     QQD 107   THR     QG2    5.50   (#       145:FE3D)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1734,1735,1736,
 &end
#
#    8   LEU      QB  88   VAL     QQG    5.50   (#       146:FE3D)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 133, 134,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QQG    5.50   (#       147:FE3D)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 101,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    4.50   (#       148:FE3D)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    9   THR      HA  88   VAL     QQG    5.50   (#       149:FE3D)
 &rst
  ixpk= 149, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU      QB  88   VAL     QQG    5.50   (#       150:FE3D)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 133, 134,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    6   LYS      QG  88   VAL     QQG    5.50   (#       151:FE3D)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 101,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  88   VAL     QQG    3.50   (#       152:FE3D)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#    8   LEU     QQD  84   ILE     QG1    4.50   (#       153:FE3D)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1343,1344,
 &end
#
#   70   VAL      HB  96   VAL     QQG    5.50   (#       154:FE3D)
 &rst
  ixpk= 154, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#    8   LEU      QB  84   ILE     QG1    5.50   (#       155:FE3D)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 133, 134,
 igr2=1343,1344,
 &end
#
#   70   VAL      HA 100   LEU     QQD    5.50   (#       156:FE3D)
 &rst
  ixpk= 156, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#    8   LEU      QB  84   ILE     QG1    5.50   (#       157:FE3D)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 133, 134,
 igr2=1343,1344,
 &end
#
#    8   LEU      QB 100   LEU     QQD    5.50   (#       158:FE3D)
 &rst
  ixpk= 158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 133, 134,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   70   VAL      HA 100   LEU     QQD    5.50   (#       159:FE3D)
 &rst
  ixpk= 159, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   70   VAL      HB  92   LEU     QQD    5.50   (#       160:FE3D)
 &rst
  ixpk= 160, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#    9   THR      HA  88   VAL     QQG    5.50   (#       161:FE3D)
 &rst
  ixpk= 161, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   70   VAL      HA 104   TRP     HZ2    5.50   (#       162:FE3D)
 &rst
  ixpk= 162, nxpk= 25, iat=1118,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70   VAL      HA  84   ILE     QG1    5.50   (#       163:FE3D)
 &rst
  ixpk= 163, nxpk= 25, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1343,1344,
 &end
#
#   73   LEU      QB 104   TRP     HD1    5.50   (#       166:FE3D)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1179,1180,
 &end
#
#   70   VAL      HB  84   ILE     QG1    7.00   (#       168:FE3D)
 &rst
  ixpk= 168, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1343,1344,
 &end
#
#   70   VAL      HB  96   VAL     QQG    5.50   (#       169:FE3D)
 &rst
  ixpk= 169, nxpk= 25, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#    8   LEU     QQD  92   LEU     QQD    3.50   (#       170:FE3D)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   73   LEU     QQD 103   GLU      QG    5.50   (#       171:FE3D)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1650,1651,
 &end
#
#   73   LEU     QQD 104   TRP     HH2    7.00   (#       172:FE3D)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   73   LEU     QQD 100   LEU     QQD    4.50   (#       174:FE3D)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   88   VAL     QQG  68   HIS     HE1    4.50   (#              0)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  68   HIS     HD2    3.50   (#              1)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  10   GLY      QA    5.50   (#              2)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 164, 165,
 &end
#
#   88   VAL     QQG   6   LYS      QE    3.50   (#              3)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 106, 107,
 &end
#
#   88   VAL     QQG   6   LYS      QD    4.50   (#              4)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 103, 104,
 &end
#
#   88   VAL     QQG   6   LYS      QG    5.50   (#              5)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 100, 101,
 &end
#
#   96   VAL     QQG  44   ILE     QG2    3.50   (#              6)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2= 706, 707, 708,
 &end
#
#   96   VAL     QQG  70   VAL     QQG    3.50   (#              7)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  100   LEU     QQD  70   VAL     QQG    3.50   (#              8)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QG1   8   LEU     QQD    5.50   (#              9)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1343,1344,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#  100   LEU      HG  71   LEU     QQD    4.50   (#             10)
 &rst
  ixpk= 10, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#  100   LEU      HG  70   VAL     QQG    3.50   (#             11)
 &rst
  ixpk= 11, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  100   LEU      HG  70   VAL     QQG    3.50   (#             12)
 &rst
  ixpk= 12, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  100   LEU      HG  71   LEU     QQD    5.50   (#             13)
 &rst
  ixpk= 13, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#  100   LEU      HG  72   ARG      QD    7.00   (#             15)
 &rst
  ixpk= 15, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1161,1162,
 &end
#
#   93   PRO      QG  44   ILE     QG2    3.50   (#             18)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1490,1491,
 igr2= 706, 707, 708,
 &end
#
#   93   PRO      QG  70   VAL     QQG    5.50   (#             19)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1490,1491,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   93   PRO      QG  49   GLN      QG    5.50   (#             20)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2= 785, 786,
 &end
#
#   91   GLU      QG  68   HIS     HE1    4.50   (#             21)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   99   GLU      QB  70   VAL     QQG    4.50   (#             22)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1584,1585,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#  103   GLU      QB  73   LEU     QQD    4.50   (#             23)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1647,1648,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#  103   GLU      QB  71   LEU     QQD    4.50   (#             24)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1647,1648,
 igr2=1141,1142,1143,1145,1146,1147,
 &end
#
#   91   GLU      QG  68   HIS     HE1    3.50   (#             27)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1459,1460,
 &end
#
#   83   ASP      QB   8   LEU     QQD    5.50   (#             29)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1325,1326,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   93   PRO      QD  44   ILE     QD1    4.50   (#             30)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1487,1488,
 igr2= 713, 714, 715,
 &end
#
#   93   PRO      QD  44   ILE     QG2    4.50   (#             31)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1487,1488,
 igr2= 706, 707, 708,
 &end
#
#   92   LEU      HA  44   ILE     QD1    4.50   (#             32)
 &rst
  ixpk= 32, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 713, 714, 715,
 &end
#
#   83   ASP      HA   8   LEU     QQD    7.00   (#             33)
 &rst
  ixpk= 33, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   84   ILE      HA  70   VAL      HB    7.00   (#             34)
 &rst
  ixpk= 34, nxpk= 25, iat=1335,1120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   84   ILE      HA   8   LEU     QQD    3.50   (#             35)
 &rst
  ixpk= 35, nxpk= 25, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   84   ILE      HA  70   VAL     QQG    7.00   (#             36)
 &rst
  ixpk= 36, nxpk= 25, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QD1  70   VAL      HB    4.50   (#             37)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  71   LEU      QB    4.50   (#             38)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1136,1137,
 &end
#
#   84   ILE     QD1   8   LEU     QQD    3.50   (#             39)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1346,1347,1348,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   84   ILE     QD1  69   LEU      QB    5.50   (#             40)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,
 igr2=1101,1102,
 &end
#
#   84   ILE     QD1  70   VAL     QQG    4.50   (#             41)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1346,1347,1348,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QG2   8   LEU      QB    5.50   (#             42)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2= 133, 134,
 &end
#
#   84   ILE     QG2   8   LEU      QB    5.50   (#             43)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2= 133, 134,
 &end
#
#   84   ILE     QG2  71   LEU      QB    4.50   (#             44)
 &rst
  ixpk= 44, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1339,1340,1341,
 igr2=1136,1137,
 &end
#
#   84   ILE     QG2  69   LEU      QB    7.00   (#             45)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1339,1340,1341,
 igr2=1101,1102,
 &end
#
#   84   ILE     QG2  70   VAL     QQG    4.50   (#             46)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1339,1340,1341,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   84   ILE     QG2   8   LEU     QQD    5.50   (#             47)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1339,1340,1341,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   92   LEU     QQD  68   HIS     HE1    5.50   (#             48)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  68   HIS     HD2    5.50   (#             49)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  45   PHE      QB    7.00   (#             50)
 &rst
  ixpk= 50, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2= 723, 724,
 &end
#
#   92   LEU     QQD  44   ILE      HB    5.50   (#             51)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  70   VAL     QQG    5.50   (#             52)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   92   LEU     QQD  44   ILE     QG1    5.50   (#             53)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2= 710, 711,
 &end
#
#   92   LEU     QQD  70   VAL     QQG    4.50   (#             54)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   92   LEU     QQD  44   ILE     QD1    3.50   (#             55)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2= 713, 714, 715,
 &end
#
#   88   VAL     QQG  10   GLY      QA    5.50   (#             56)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 164, 165,
 &end
#
#   88   VAL     QQG  44   ILE      HB    7.00   (#             57)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG   6   LYS      QG    5.50   (#             58)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2= 100, 101,
 &end
#
#   96   VAL     QQG  70   VAL     QQG    4.50   (#             59)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   83   ASP      QB   8   LEU     QQD    5.50   (#             62)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1325,1326,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#  100   LEU     QQD  69   LEU     QD1    5.50   (#             63)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1106,1107,1108,
 &end
#
#  100   LEU     QQD  69   LEU      QB    7.00   (#             64)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1101,1102,
 &end
#
#  100   LEU     QQD  44   ILE     QG1    5.50   (#             65)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2= 710, 711,
 &end
#
#   96   VAL      HB  44   ILE     QD1    4.50   (#             67)
 &rst
  ixpk= 67, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 713, 714, 715,
 &end
#
#   96   VAL      HB  70   VAL     QQG    5.50   (#             68)
 &rst
  ixpk= 68, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   91   GLU      HA  68   HIS     HE1    5.50   (#             69)
 &rst
  ixpk= 69, nxpk= 25, iat=1454,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  44   ILE     QD1    5.50   (#             70)
 &rst
  ixpk= 70, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 713, 714, 715,
 &end
#
#   91   GLU      QB  68   HIS     HE1    3.50   (#             71)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1456,1457,
 &end
#
#   88   VAL      HA  68   HIS     HE1    5.50   (#             72)
 &rst
  ixpk= 72, nxpk= 25, iat=1397,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU      QG  68   HIS     HE1    5.50   (#             73)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1459,1460,
 &end
#
#    6 LYS  HN           67 LEU  HN          4.50    (#      0:15  Preassigned    3.20, 3.31 A)
 &rst
  ixpk= 0, nxpk= 15, iat=  93,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   66 THR  HN           67 LEU  HN          4.50    (#      1:15  Preassigned    3.90, 4.12 A)
 &rst
  ixpk= 1, nxpk= 15, iat=1047,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HN           67 LEU  HN          4.50    (#      2:15  Preassigned    3.44, 3.63 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  57,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:3        6 LYS  HN          4.50    (#      3:15  Single Ambig)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,  77,
 &end
#
#    7 THR  HN            6 LYS  HN          4.50    (#      4:15  Preassigned    4.49, 4.52 A)
 &rst
  ixpk= 4, nxpk= 15, iat= 115,  93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HA           67 LEU  HN          2.80    (#      5:15  Preassigned    2.15, 2.19 A)
 &rst
  ixpk= 5, nxpk= 15, iat=1049,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 HIS  HA            6 LYS  HN          3.50    (#      6:15  Preassigned    3.17, 3.35 A)
 &rst
  ixpk= 6, nxpk= 15, iat=1082,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:7        6 LYS  HN          4.50    (#      7:15  Single Ambig)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 193,1063,
 &end
#
#    5 VAL  HA            6 LYS  HN          2.80    (#      8:15  Preassigned    2.23, 2.24 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  79,  93, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 VAL  HA           67 LEU  HN          4.50    (#      9:15  Preassigned    2.34, 2.46 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  79,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HA           67 LEU  HN          4.50    (#     10:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 10, nxpk= 15, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HB-          67 LEU  HN          4.50    (#     11:15  Preassigned    3.63, 4.38 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+          67 LEU  HN          4.50    (#     12:15  Preassigned    3.63, 4.38 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:13       6 LYS  HN          4.50    (#     13:15  Single Ambig)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 106, 107, 106, 107,  61,  62,
 &end
#
#    3 ILE  HB           67 LEU  HN          4.50    (#     14:15  Preassigned    3.85, 3.93 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  42,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HB-          67 LEU  HN          3.50    (#     15:15  Preassigned    2.20, 2.66 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#   66 THR  QG2          67 LEU  HN          3.50    (#     16:15  Preassigned    3.43, 4.14 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:17      67 LEU  HN          3.50    (#     17:15  Single Ambig)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,1070,1071,1072,1074,1075,1076,
 &end
#
#    0 AMB  15-3:18      67 LEU  HN          5.50    (#     18:15  Single Ambig)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 969, 970, 971, 976, 977, 978,
 &end
#
#    7 THR  QG2           6 LYS  HN          5.50    (#     19:15  Preassigned    5.50, 6.58 A)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 121, 122, 123,
 &end
#
#    0 AMB  15-3:20       6 LYS  HN          3.50    (#     20:15  Single Ambig)
 &rst
  ixpk= 20, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   66 THR  QG2           6 LYS  HN          4.50    (#     21:15  Preassigned    3.15, 3.97 A)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    6 LYS  HB+           6 LYS  HN          3.50    (#     22:15  Preassigned    2.23, 2.58 A)
 &rst
  ixpk= 22, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  97,  98,
 &end
#
#    6 LYS  HB-           6 LYS  HN          3.50    (#     23:15  Preassigned    2.23, 2.58 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  97,  98,
 &end
#
#    0 AMB  15-3:24      70 VAL  HN          4.50    (#     24:15  Single Ambig)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1097,1132,
 &end
#
#   42 ARG  HN           70 VAL  HN          4.50    (#     25:15  Preassigned    3.82, 3.91 A)
 &rst
  ixpk= 25, nxpk= 15, iat= 657,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 LEU  HA           70 VAL  HN          4.50    (#     26:15  Preassigned    2.95, 3.12 A)
 &rst
  ixpk= 26, nxpk= 15, iat= 683,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 VAL  HA           70 VAL  HN          3.50    (#     27:15  Preassigned    2.92, 2.94 A)
 &rst
  ixpk= 27, nxpk= 15, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 VAL  HB           70 VAL  HN          4.50    (#     28:15  Unique         2.59, 2.95 A)
 &rst
  ixpk= 28, nxpk= 15, iat=1120,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:29      70 VAL  HN          5.50    (#     29:15  Single Ambig)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 704,1068,
 &end
#
#   69 LEU  HG           70 VAL  HN          5.50    (#     30:15  Preassigned    4.55, 4.62 A)
 &rst
  ixpk= 30, nxpk= 15, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  QG-          70 VAL  HN          3.50    (#     31:15  Unique         2.28, 4.13 A)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   69 LEU  QD-          70 VAL  HN          3.50    (#     32:15  Preassigned    2.29, 3.60 A)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#    0 AMB  15-3:33      70 VAL  HN          2.80    (#     33:15  Single Ambig)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1122,1123,1124,1126,1127,1128,1106,1107,1108,1110,
      1111,1112,
 &end
#
#    0 AMB  15-3:34      50 LEU  HN          4.50    (#     34:15  Single Ambig)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 681, 719,
 &end
#
#   51 GLU  HN           50 LEU  HN          5.50    (#     35:15  Preassigned    4.50, 4.54 A)
 &rst
  ixpk= 35, nxpk= 15, iat= 814, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ILE  HA           50 LEU  HN          4.50    (#     36:15  Preassigned    2.80, 2.91 A)
 &rst
  ixpk= 36, nxpk= 15, iat= 702, 795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HA           50 LEU  HN          2.80    (#     37:15  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 37, nxpk= 15, iat= 780, 795, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LEU  HA           50 LEU  HN          4.50    (#     38:15  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 797, 795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:39      50 LEU  HN          3.50    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 785, 786, 785, 786,
 &end
#
#   49 GLN  HB-          50 LEU  HN          3.50    (#     40:15  Unique         2.79, 3.96 A)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 782, 783,
 &end
#
#    0 AMB  15-3:41      50 LEU  HN          2.80    (#     41:15  Single Ambig)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 802, 799, 800,
 &end
#
#   50 LEU  HB-          50 LEU  HN          3.50    (#     42:15  Preassigned    2.54, 3.22 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#   44 ILE  QD1          50 LEU  HN          5.50    (#     43:15  Preassigned    6.05, 6.55 A)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 713, 714, 715,
 &end
#
#   50 LEU  QD+          50 LEU  HN          3.50    (#     44:15  Preassigned    2.18, 4.01 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  15-3:46      71 LEU  HN          4.50    (#     46:15  Single Ambig)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1116, 129,
 &end
#
#   70 VAL  HA           71 LEU  HN          2.80    (#     49:15  Preassigned    2.38, 2.43 A)
 &rst
  ixpk= 49, nxpk= 15, iat=1118,1132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 LEU  HG           71 LEU  HN          5.50    (#     50:15  Preassigned    4.72, 5.30 A)
 &rst
  ixpk= 50, nxpk= 15, iat= 136,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  HB           71 LEU  HN          4.50    (#     51:15  Unique         2.12, 3.32 A)
 &rst
  ixpk= 51, nxpk= 15, iat=1120,1132, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LEU  HB-          71 LEU  HN          3.50    (#     53:15  Preassigned    2.15, 2.75 A)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1136,1137,
 &end
#
#    8 LEU  QD-          71 LEU  HN          4.50    (#     54:15  Preassigned    3.98, 6.37 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    8 LEU  QD+          71 LEU  HN          4.50    (#     55:15  Preassigned    3.98, 6.37 A)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   70 VAL  QG-          71 LEU  HN          3.50    (#     56:15  Preassigned    1.79, 3.61 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   69 LEU  QD-          71 LEU  HN          4.50    (#     57:15  Preassigned    4.31, 5.50 A)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   70 VAL  QG+          71 LEU  HN          3.50    (#     58:15  Unique         1.79, 3.61 A)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    5 VAL  HN           15 LEU  HN          4.50    (#     59:15  Preassigned    3.85, 3.90 A)
 &rst
  ixpk= 59, nxpk= 15, iat=  77, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HN           15 LEU  HN          4.50    (#     60:15  Preassigned    4.49, 4.52 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 224, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  HN           15 LEU  HN          3.50    (#     61:15  Preassigned    2.53, 2.60 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  38, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HN           15 LEU  HN          4.50    (#     62:15  Preassigned    4.35, 4.37 A)
 &rst
  ixpk= 62, nxpk= 15, iat= 257, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HD2          15 LEU  HN          4.50    (#     63:15  Unique         4.55, 4.61 A)
 &rst
  ixpk= 63, nxpk= 15, iat=  73, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA           15 LEU  HN          4.50    (#     64:15  Preassigned    3.70, 3.74 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  59, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GLN  HA           15 LEU  HN          4.50    (#     65:15  Preassigned    4.43, 4.54 A)
 &rst
  ixpk= 65, nxpk= 15, iat=  23, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HA           15 LEU  HN          2.80    (#     66:15  Preassigned    2.15, 2.16 A)
 &rst
  ixpk= 66, nxpk= 15, iat= 226, 238, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 LEU  HA           15 LEU  HN          3.50    (#     67:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 67, nxpk= 15, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HB           15 LEU  HN          4.50    (#     68:15  Preassigned    4.02, 4.07 A)
 &rst
  ixpk= 68, nxpk= 15, iat= 228, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:69      15 LEU  HN          4.50    (#     69:15  Single Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  25,  26,  28,  29,
 &end
#
#   15 LEU  HB-          15 LEU  HN          3.50    (#     70:15  Preassigned    2.83, 3.36 A)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 242, 243,
 &end
#
#   14 THR  QG2          15 LEU  HN          2.80    (#     71:15  Preassigned    2.91, 3.48 A)
 &rst
  ixpk= 71, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 230, 231, 232,
 &end
#
#    0 AMB  15-3:72      15 LEU  HN          3.50    (#     72:15  Single Ambig)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
       252, 253,  83,  84,  85,  87,  88,  89,  83,  84,
        85,  87,  88,  89,
 &end
#
#   50 LEU  QD-          45 PHE  HN          4.50    (#     73:15  Preassigned    2.42, 4.47 A)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  HN           45 PHE  HN          4.50    (#     74:15  Preassigned    4.35, 4.41 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 700, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HN           45 PHE  HN          5.50    (#     75:15  Preassigned    4.86, 4.93 A)
 &rst
  ixpk= 75, nxpk= 15, iat=1080, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:76      45 PHE  HN          4.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 795, 749,
 &end
#
#   48 LYS  HN           45 PHE  HN          3.50    (#     77:15  Preassigned    2.76, 2.87 A)
 &rst
  ixpk= 77, nxpk= 15, iat= 756, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:78      45 PHE  HN          4.50    (#     78:15  Single Ambig)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 735,
 &end
#
#   45 PHE  HA           45 PHE  HN          4.50    (#     79:15  Preassigned    2.93, 2.93 A)
 &rst
  ixpk= 79, nxpk= 15, iat= 721, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           45 PHE  HN          2.80    (#     80:15  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 702, 719, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 GLN  HA           45 PHE  HN          4.50    (#     81:15  Preassigned    3.18, 3.29 A)
 &rst
  ixpk= 81, nxpk= 15, iat= 780, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HB+          45 PHE  HN          4.50    (#     82:15  Preassigned    2.75, 2.99 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   45 PHE  HB-          45 PHE  HN          4.50    (#     83:15  Preassigned    2.75, 2.99 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#    0 AMB  15-3:84      45 PHE  HN          4.50    (#     84:15  Single Ambig)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 760, 761, 760, 761,
 &end
#
#   44 ILE  HB           45 PHE  HN          4.50    (#     85:15  Preassigned    3.98, 4.14 A)
 &rst
  ixpk= 85, nxpk= 15, iat= 704, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:86      45 PHE  HN          4.50    (#     86:15  Single Ambig)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 763, 764, 763, 764,
 &end
#
#   44 ILE  HG1-         45 PHE  HN          4.50    (#     87:15  Preassigned    3.62, 4.42 A)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   44 ILE  QG2          45 PHE  HN          2.80    (#     88:15  Unique         2.27, 3.17 A)
 &rst
  ixpk= 88, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 706, 707, 708,
 &end
#
#   50 LEU  QD+          45 PHE  HN          4.50    (#     89:15  Preassigned    2.42, 4.47 A)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   61 ILE  HG1-         62 GLN  HN          4.50    (#     90:15  Preassigned    4.77, 4.87 A)
 &rst
  ixpk= 90, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   63 LYS  HN           62 GLN  HN          4.50    (#     91:15  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 91, nxpk= 15, iat= 999, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLN  HE2+         62 GLN  HN          4.50    (#     92:15  Unique         1.90, 3.82 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 994, 995,
 &end
#
#   62 GLN  HA           62 GLN  HN          3.50    (#     93:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 93, nxpk= 15, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:94      62 GLN  HN          4.50    (#     94:15  Single Ambig)
 &rst
  ixpk= 94, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1040,1041,1001,
 &end
#
#   65 SER  HB-          62 GLN  HN          4.50    (#     95:15  Preassigned    4.13, 4.70 A)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1040,1041,
 &end
#
#   61 ILE  HA           62 GLN  HN          2.80    (#     96:15  Preassigned    2.20, 2.22 A)
 &rst
  ixpk= 96, nxpk= 15, iat= 965, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 GLN  HG-          62 GLN  HN          2.80    (#     97:15  Preassigned    2.36, 3.24 A)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 989, 990,
 &end
#
#    0 AMB  15-3:98      62 GLN  HN          3.50    (#     98:15  Single Ambig)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987, 986, 987,
 &end
#
#   61 ILE  HG1+         62 GLN  HN          4.50    (#     99:15  Preassigned    4.77, 4.87 A)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   61 ILE  QG2          62 GLN  HN          3.50    (#    100:15  Preassigned    3.22, 4.26 A)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 969, 970, 971,
 &end
#
#   55 THR  HN           58 ASP  HN          4.50    (#    101:15  Preassigned    3.46, 3.47 A)
 &rst
  ixpk= 101, nxpk= 15, iat= 872, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           58 ASP  HN          3.50    (#    102:15  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 905, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:103     58 ASP  HN          4.50    (#    103:15  Single Ambig)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 886, 949,
 &end
#
#   59 TYR  HN           58 ASP  HN          3.50    (#    104:15  Preassigned    2.58, 2.59 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 928, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HA           58 ASP  HN          5.50    (#    105:15  Preassigned    4.41, 4.42 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 874, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:107     58 ASP  HN          5.50    (#    107:15  Single Ambig)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 930, 850,
 &end
#
#   55 THR  HB           58 ASP  HN          3.50    (#    108:15  Preassigned    3.35, 3.38 A)
 &rst
  ixpk= 108, nxpk= 15, iat= 876, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:109     58 ASP  HN          3.50    (#    109:15  Single Ambig)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 918, 907,
 &end
#
#   57 SER  HB-          58 ASP  HN          3.50    (#    110:15  Preassigned    3.08, 3.54 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   58 ASP  HB+          58 ASP  HN          3.50    (#    111:15  Preassigned    2.13, 2.57 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#   58 ASP  HB-          58 ASP  HN          3.50    (#    112:15  Preassigned    2.13, 2.57 A)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-3:113     58 ASP  HN          4.50    (#    113:15  Single Ambig)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 878, 879, 880, 973, 974,
 &end
#
#   72 ARG  HA           73 LEU  HN          3.50    (#    116:15  Preassigned    3.23, 3.30 A)
 &rst
  ixpk= 116, nxpk= 15, iat=1153,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:117     73 LEU  HN          5.50    (#    117:15  Single Ambig)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 630, 631, 630, 631,
 &end
#
#    0 AMB  15-3:118     73 LEU  HN          5.50    (#    118:15  Single Ambig)
 &rst
  ixpk= 118, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1161,1162,1161,1162,1204,1205,
 &end
#
#   71 LEU  HB+          73 LEU  HN          3.50    (#    119:15  Unique         2.21, 3.14 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1136,1137,
 &end
#
#    0 AMB  15-3:120     73 LEU  HN          3.50    (#    120:15  Single Ambig)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1136,1137,1155,1156,1139,
 &end
#
#   73 LEU  QD+          73 LEU  HN          3.50    (#    121:15  Preassigned    3.17, 4.69 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   44 ILE  HN           43 LEU  HN          4.50    (#    122:15  Preassigned    4.33, 4.47 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 700, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ARG  HA           43 LEU  HN          2.80    (#    123:15  Preassigned    2.18, 2.28 A)
 &rst
  ixpk= 123, nxpk= 15, iat= 659, 681, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:124     43 LEU  HN          4.50    (#    124:15  Single Ambig)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 661, 662,1120,
 &end
#
#    0 AMB  15-3:125     43 LEU  HN          4.50    (#    125:15  Single Ambig)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 785, 786, 785, 786,
 &end
#
#   27 LYS  HE-          43 LEU  HN          5.50    (#    126:15  Preassigned    2.11, 2.81 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 431, 432,
 &end
#
#   42 ARG  HD-          43 LEU  HN          5.50    (#    127:15  Preassigned    4.40, 4.81 A)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#   42 ARG  HN           43 LEU  HN          4.50    (#    129:15  Preassigned    4.52, 4.57 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 657, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 LEU  HA           43 LEU  HN          4.50    (#    130:15  Preassigned    2.91, 2.94 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 683, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HG1-         43 LEU  HN          4.50    (#    132:15  Preassigned    4.48, 5.12 A)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#    0 AMB  15-3:133     43 LEU  HN          3.50    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696, 360, 361, 362,
 &end
#
#   50 LEU  QD+          43 LEU  HN          5.50    (#    134:15  Preassigned    4.24, 6.29 A)
 &rst
  ixpk= 134, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   43 LEU  HB+          43 LEU  HN          3.50    (#    135:15  Preassigned    2.15, 2.80 A)
 &rst
  ixpk= 135, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 685, 686,
 &end
#
#    0 AMB  15-3:136     43 LEU  HN          2.80    (#    136:15  Single Ambig)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 664, 665, 664, 665, 685, 686,
 &end
#
#   18 GLU  HN           21 ASP  HN          4.50    (#    137:15  Preassigned    4.01, 4.05 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 288, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HN           21 ASP  HN          3.50    (#    138:15  Preassigned    2.17, 2.24 A)
 &rst
  ixpk= 138, nxpk= 15, iat= 317, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HA           21 ASP  HN          3.50    (#    139:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 330, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 SER  HA           21 ASP  HN          4.50    (#    140:15  Preassigned    3.20, 3.23 A)
 &rst
  ixpk= 140, nxpk= 15, iat= 319, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:141     21 ASP  HN          3.50    (#    141:15  Single Ambig)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 313, 321, 322,
 &end
#
#    0 AMB  15-3:142     21 ASP  HN          4.50    (#    142:15  Single Ambig)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 321, 322, 304, 305,
 &end
#
#   21 ASP  HB-          21 ASP  HN          2.80    (#    143:15  Preassigned    2.13, 2.85 A)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 332, 333,
 &end
#
#   21 ASP  HB+          21 ASP  HN          3.50    (#    144:15  Preassigned    2.13, 2.85 A)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#   18 GLU  HG-          21 ASP  HN          4.50    (#    145:15  Unique         2.20, 3.97 A)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 295, 296,
 &end
#
#   18 GLU  HB+          21 ASP  HN          3.50    (#    146:15  Preassigned    2.87, 3.94 A)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   18 GLU  HB-          21 ASP  HN          3.50    (#    147:15  Preassigned    2.87, 3.94 A)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   26 VAL  QG+          21 ASP  HN          5.50    (#    148:15  Preassigned    5.66, 7.32 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:149     21 ASP  HN          3.50    (#    149:15  Single Ambig)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 896, 897, 899, 900, 901, 408, 409, 410, 412,
       413, 414,
 &end
#
#   30 ILE  HN           31 GLN  HN          3.50    (#    150:15  Preassigned    2.64, 2.68 A)
 &rst
  ixpk= 150, nxpk= 15, iat= 472, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HN           31 GLN  HN          3.50    (#    151:15  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 151, nxpk= 15, iat= 508, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:152     31 GLN  HN          4.50    (#    152:15  Single Ambig)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 450, 440,
 &end
#
#   41 GLN  HE2-         31 GLN  HN          3.50    (#    153:15  Preassigned    2.30, 3.14 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2+         31 GLN  HN          4.50    (#    154:15  Preassigned    2.30, 3.14 A)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   27 LYS  HA           31 GLN  HN          4.50    (#    155:15  Preassigned    4.55, 4.57 A)
 &rst
  ixpk= 155, nxpk= 15, iat= 420, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:156     31 GLN  HN          3.50    (#    156:15  Single Ambig)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 442, 452,
 &end
#
#   31 GLN  HA           31 GLN  HN          3.50    (#    157:15  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 157, nxpk= 15, iat= 493, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HA           31 GLN  HN          4.50    (#    158:15  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 158, nxpk= 15, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HB+          31 GLN  HN          3.50    (#    159:15  Preassigned    2.48, 2.53 A)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   34 GLU  HB+          31 GLN  HN          4.50    (#    160:15  Unique         4.83, 5.73 A)
 &rst
  ixpk= 160, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 546, 547,
 &end
#
#   31 GLN  HB-          31 GLN  HN          2.80    (#    161:15  Preassigned    2.48, 2.53 A)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 495, 496,
 &end
#
#    0 AMB  15-3:162     31 GLN  HN          3.50    (#    162:15  Single Ambig)
 &rst
  ixpk= 162, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 482, 483, 478, 479, 480,
 &end
#
#   27 LYS  HN           28 ALA  HN          3.50    (#    163:15  Preassigned    2.85, 2.86 A)
 &rst
  ixpk= 163, nxpk= 15, iat= 418, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 VAL  HN           28 ALA  HN          4.50    (#    164:15  Preassigned    4.34, 4.37 A)
 &rst
  ixpk= 164, nxpk= 15, iat= 402, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HA           28 ALA  HN          3.50    (#    165:15  Preassigned    3.61, 3.67 A)
 &rst
  ixpk= 165, nxpk= 15, iat= 390, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ALA  HA           28 ALA  HN          3.50    (#    166:15  Preassigned    2.75, 2.76 A)
 &rst
  ixpk= 166, nxpk= 15, iat= 442, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           28 ALA  HN          4.50    (#    167:15  Preassigned    4.48, 4.53 A)
 &rst
  ixpk= 167, nxpk= 15, iat= 375, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HB+          28 ALA  HN          5.50    (#    168:15  Preassigned    5.54, 5.82 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#    0 AMB  15-3:169     28 ALA  HN          4.50    (#    169:15  Single Ambig)
 &rst
  ixpk= 169, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 380, 381, 380, 381, 406, 476,
 &end
#
#   27 LYS  HB-          28 ALA  HN          3.50    (#    170:15  Preassigned    2.36, 2.97 A)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 422, 423,
 &end
#
#   29 LYS  HG-          28 ALA  HN          4.50    (#    171:15  Unique         4.36, 4.69 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 458,
 &end
#
#   28 ALA  QB           28 ALA  HN          2.80    (#    172:15  Unique         2.10, 2.88 A)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 444, 445, 446,
 &end
#
#   27 LYS  HB+          28 ALA  HN          3.50    (#    173:15  Preassigned    2.36, 2.97 A)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 422, 423,
 &end
#
#    0 AMB  15-3:174     28 ALA  HN          4.50    (#    174:15  Single Ambig)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 482, 483, 408, 409, 410, 412, 413, 414,
 &end
#
#   50 LEU  QD-          51 GLU  HN          4.50    (#    175:15  Preassigned    4.13, 5.27 A)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   59 TYR  HE1          51 GLU  HN          3.50    (#    176:15  Preassigned    2.75, 2.89 A)
 &rst
  ixpk= 176, nxpk= 15, iat= 938, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HB           69 LEU  HN          4.50    (#    177:15  Preassigned    4.73, 4.77 A)
 &rst
  ixpk= 177, nxpk= 15, iat= 119,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           51 GLU  HN          3.50    (#    178:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 178, nxpk= 15, iat= 816, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 LEU  HA           51 GLU  HN          2.80    (#    179:15  Preassigned    2.39, 2.46 A)
 &rst
  ixpk= 179, nxpk= 15, iat= 797, 814, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 GLU  HG+          51 GLU  HN          3.50    (#    180:15  Preassigned    2.54, 3.26 A)
 &rst
  ixpk= 180, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   51 GLU  HB+          51 GLU  HN          3.50    (#    181:15  Preassigned    2.90, 3.41 A)
 &rst
  ixpk= 181, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 818, 819,
 &end
#
#    0 AMB  15-3:182     69 LEU  HN          4.50    (#    182:15  Single Ambig)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  81, 133, 134, 133, 134, 482, 483,
 &end
#
#   50 LEU  HB+          51 GLU  HN          3.50    (#    183:15  Preassigned    2.29, 2.81 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 799, 800,
 &end
#
#    0 AMB  15-3:184      0 AMB  15-1:184    4.50    (#    184:15  Double Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1101,1102, 799, 800,
 igr2=1097, 814,
 &end
#
#    0 AMB  15-3:185     51 GLU  HN          4.50    (#    185:15  Single Ambig)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 804, 805, 806, 808, 809, 810, 367, 368, 369,
 &end
#
#    0 AMB  15-3:186     69 LEU  HN          3.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 129,  93,1080,1116,
 &end
#
#    0 AMB  15-3:187     69 LEU  HN          2.80    (#    187:15  Single Ambig)
 &rst
  ixpk= 187, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1082,1099,
 &end
#
#    7 THR  HB           69 LEU  HN          4.50    (#    188:15  Preassigned    4.73, 4.77 A)
 &rst
  ixpk= 188, nxpk= 15, iat= 119,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HB+          69 LEU  HN          3.50    (#    189:15  Preassigned    3.46, 4.03 A)
 &rst
  ixpk= 189, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB-          69 LEU  HN          4.50    (#    190:15  Preassigned    3.46, 4.03 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   69 LEU  HB-          69 LEU  HN          3.50    (#    191:15  Preassigned    2.22, 2.59 A)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1101,1102,
 &end
#
#   23 ILE  HG1-         51 GLU  HN          3.50    (#    192:15  Unique         2.44, 2.84 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 364, 365,
 &end
#
#    0 AMB  15-3:193      0 AMB  15-1:193    3.50    (#    193:15  Double Ambig)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1101,1102, 799, 800,
 igr2=1097, 814,
 &end
#
#    0 AMB  15-3:194     69 LEU  HN          3.50    (#    194:15  Single Ambig)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1106,1107,1108,1110,1111,1112,1122,1123,1124,1126,
      1127,1128, 690, 691, 692, 694, 695, 696, 690, 691,
       692, 694, 695, 696,
 &end
#
#    0 AMB  15-3:195     69 LEU  HN          3.50    (#    195:15  Single Ambig)
 &rst
  ixpk= 195, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,1106,1107,1108,1110,1111,1112,
 &end
#
#    0 AMB  15-3:196     14 THR  HN          4.50    (#    196:15  Single Ambig)
 &rst
  ixpk= 196, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 218, 219, 220,  83,  84,  85,  87,  88,  89,  83,
        84,  85,  87,  88,  89,
 &end
#
#   13 ILE  QG2          14 THR  HN          4.50    (#    197:15  Preassigned    4.80, 5.29 A)
 &rst
  ixpk= 197, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 211, 212, 213,
 &end
#
#   14 THR  QG2          14 THR  HN          4.50    (#    198:15  Preassigned    4.44, 4.57 A)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 230, 231, 232,
 &end
#
#   13 ILE  HG1+         14 THR  HN          4.50    (#    199:15  Preassigned    2.99, 3.80 A)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#   13 ILE  HB           14 THR  HN          4.50    (#    200:15  Preassigned    4.22, 4.27 A)
 &rst
  ixpk= 200, nxpk= 15, iat= 209, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HB           14 THR  HN          3.50    (#    201:15  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 201, nxpk= 15, iat= 228, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  HA           14 THR  HN          2.80    (#    202:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 202, nxpk= 15, iat= 207, 224, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:203     14 THR  HN          4.50    (#    203:15  Single Ambig)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 238, 191,
 &end
#
#   13 ILE  HN           14 THR  HN          4.50    (#    204:15  Preassigned    4.13, 4.19 A)
 &rst
  ixpk= 204, nxpk= 15, iat= 205, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LEU  QD+          44 ILE  HN          4.50    (#    205:15  Preassigned    3.08, 5.37 A)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#    0 AMB  15-3:206     44 ILE  HN          3.50    (#    206:15  Single Ambig)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 706, 707, 708,1070,1071,1072,1074,1075,1076, 713,
       714, 715,  83,  84,  85,  87,  88,  89,  83,  84,
        85,  87,  88,  89,
 &end
#
#    0 AMB  15-3:207     44 ILE  HN          3.50    (#    207:15  Single Ambig)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
       695, 696,
 &end
#
#   44 ILE  HG1-         44 ILE  HN          3.50    (#    208:15  Preassigned    3.12, 3.70 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 710, 711,
 &end
#
#   43 LEU  HB+          44 ILE  HN          3.50    (#    209:15  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 685, 686,
 &end
#
#   44 ILE  HG1+         44 ILE  HN          3.50    (#    210:15  Preassigned    3.12, 3.70 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 710, 711,
 &end
#
#    0 AMB  15-3:211     44 ILE  HN          3.50    (#    211:15  Single Ambig)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 664, 665, 664, 665,
 &end
#
#   44 ILE  HB           44 ILE  HN          3.50    (#    212:15  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 704, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 HIS  HB-          44 ILE  HN          4.50    (#    213:15  Preassigned    3.11, 3.39 A)
 &rst
  ixpk= 213, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB+          44 ILE  HN          4.50    (#    214:15  Preassigned    3.11, 3.39 A)
 &rst
  ixpk= 214, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1085,
 &end
#
#   44 ILE  HA           44 ILE  HN          3.50    (#    215:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 215, nxpk= 15, iat= 702, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:216     44 ILE  HN          3.50    (#    216:15  Single Ambig)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1099,1082, 721,
 &end
#
#   43 LEU  HA           44 ILE  HN          2.80    (#    217:15  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:218     44 ILE  HN          4.50    (#    218:15  Single Ambig)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 681, 719,
 &end
#
#   68 HIS  HN           44 ILE  HN          3.50    (#    219:15  Preassigned    2.74, 2.97 A)
 &rst
  ixpk= 219, nxpk= 15, iat=1080, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:220      2 GLN  HN          4.50    (#    220:15  Single Ambig)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,1006,1007,
 &end
#
#    2 GLN  HB+           2 GLN  HN          3.50    (#    221:15  Preassigned    2.99, 3.47 A)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#    2 GLN  HB-           2 GLN  HN          2.80    (#    222:15  Preassigned    2.99, 3.47 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  25,  26,
 &end
#
#    1 MET  HB-           2 GLN  HN          2.80    (#    223:15  Preassigned    2.28, 3.11 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=   8,   9,
 &end
#
#    0 AMB  15-3:224      2 GLN  HN          3.50    (#    224:15  Single Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  28,  29,1028,1029,1028,1029, 264, 265,
 &end
#
#    1 MET  HG+           2 GLN  HN          4.50    (#    225:15  Preassigned    2.15, 2.84 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#   63 LYS  HA            2 GLN  HN          4.50    (#    226:15  Preassigned    3.28, 3.33 A)
 &rst
  ixpk= 226, nxpk= 15, iat=1001,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HA            2 GLN  HN          2.80    (#    227:15  Preassigned    2.57, 2.60 A)
 &rst
  ixpk= 227, nxpk= 15, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    2 GLN  HA            2 GLN  HN          3.50    (#    229:15  Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 229, nxpk= 15, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HN            2 GLN  HN          4.50    (#    230:15  Preassigned    4.41, 4.42 A)
 &rst
  ixpk= 230, nxpk= 15, iat=  38,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LYS  HN           49 GLN  HN          4.50    (#    231:15  Preassigned    4.19, 4.34 A)
 &rst
  ixpk= 231, nxpk= 15, iat= 756, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:232     49 GLN  HN          2.80    (#    232:15  Single Ambig)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 758, 780,
 &end
#
#    0 AMB  15-3:233     49 GLN  HN          3.50    (#    233:15  Single Ambig)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 785, 786, 785, 786,
 &end
#
#    0 AMB  15-3:234     49 GLN  HN          2.80    (#    234:15  Single Ambig)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 766, 767, 766, 767, 782, 783, 760, 761,
 &end
#
#    0 AMB  15-3:235     49 GLN  HN          3.50    (#    235:15  Single Ambig)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 763, 764, 763, 764,
 &end
#
#    0 AMB  15-3:236     49 GLN  HN          4.50    (#    236:15  Single Ambig)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708, 713, 714, 715,
 &end
#
#   74 ARG  HA           74 ARG  HN          3.50    (#    238:15  Preassigned    2.27, 2.28 A)
 &rst
  ixpk= 238, nxpk= 15, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLN  HA           74 ARG  HN          4.50    (#    239:15  Preassigned    1.70, 1.85 A)
 &rst
  ixpk= 239, nxpk= 15, iat= 625,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:240     74 ARG  HN          4.50    (#    240:15  Single Ambig)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1161,1162,1161,1162,1204,1205,1204,1205,
 &end
#
#    0 AMB  15-3:242     74 ARG  HN          4.50    (#    242:15  Single Ambig)
 &rst
  ixpk= 242, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 630, 631, 630, 631, 627, 628,
 &end
#
#    0 AMB  15-3:243     74 ARG  HN          2.80    (#    243:15  Single Ambig)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1155,1156,1198,1199,
 &end
#
#    0 AMB  15-3:244     74 ARG  HN          3.50    (#    244:15  Single Ambig)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1155,1156,1158,1159,1158,1159,
 &end
#
#   73 LEU  QD+          74 ARG  HN          4.50    (#    246:15  Preassigned    4.73, 6.02 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   70 VAL  HN           42 ARG  HN          4.50    (#    247:15  Preassigned    3.82, 3.91 A)
 &rst
  ixpk= 247, nxpk= 15, iat=1116, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HN           26 VAL  HN          3.50    (#    248:15  Preassigned    2.70, 2.72 A)
 &rst
  ixpk= 248, nxpk= 15, iat= 418, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HN           26 VAL  HN          3.50    (#    249:15  Preassigned    2.65, 2.68 A)
 &rst
  ixpk= 249, nxpk= 15, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 LEU  HA           16 GLU  HN          2.80    (#    250:15  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 250, nxpk= 15, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:251      0 AMB  15-1:251    3.50    (#    251:15  Double Ambig)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 659, 390,
 igr2= 657, 402,
 &end
#
#   41 GLN  HA           42 ARG  HN          2.80    (#    252:15  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 252, nxpk= 15, iat= 642, 657, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 ILE  HA           26 VAL  HN          4.50    (#    253:15  Preassigned    3.27, 3.30 A)
 &rst
  ixpk= 253, nxpk= 15, iat= 356, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  HA           26 VAL  HN          3.50    (#    254:15  Preassigned    2.79, 2.81 A)
 &rst
  ixpk= 254, nxpk= 15, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HB+          26 VAL  HN          3.50    (#    255:15  Preassigned    3.40, 3.76 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB-          26 VAL  HN          3.50    (#    256:15  Preassigned    3.40, 3.76 A)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   26 VAL  HB           26 VAL  HN          2.80    (#    257:15  Preassigned    2.51, 2.52 A)
 &rst
  ixpk= 257, nxpk= 15, iat= 406, 402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:258      0 AMB  15-1:258    4.50    (#    258:15  Double Ambig)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 647, 648, 332, 333,
 igr2= 657, 402,
 &end
#
#   17 VAL  HN           16 GLU  HN          4.50    (#    259:15  Preassigned    4.40, 4.45 A)
 &rst
  ixpk= 259, nxpk= 15, iat= 272, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 LEU  HN           16 GLU  HN          4.50    (#    260:15  Preassigned    4.35, 4.37 A)
 &rst
  ixpk= 260, nxpk= 15, iat= 238, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HG-          16 GLU  HN          4.50    (#    261:15  Preassigned    3.29, 3.70 A)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 264, 265,
 &end
#
#   16 GLU  HG+          16 GLU  HN          3.50    (#    262:15  Preassigned    3.29, 3.70 A)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 264, 265,
 &end
#
#   16 GLU  HB-          16 GLU  HN          2.80    (#    263:15  Preassigned    2.13, 2.78 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 261, 262,
 &end
#
#    0 AMB  15-3:264     16 GLU  HN          3.50    (#    264:15  Single Ambig)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 242, 243, 245,
 &end
#
#   15 LEU  HB+          16 GLU  HN          3.50    (#    265:15  Preassigned    3.12, 3.73 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 242, 243,
 &end
#
#   26 VAL  QG+          26 VAL  HN          2.80    (#    266:15  Preassigned    2.18, 3.78 A)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:267      0 AMB  15-1:267    2.80    (#    267:15  Double Ambig)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 408, 409, 410, 412, 413, 414, 247, 248, 249, 251,
       252, 253,
 igr2= 402, 257,
 &end
#
#    7 THR  HN           11 LYS  HN          4.50    (#    268:15  Preassigned    2.97, 3.07 A)
 &rst
  ixpk= 268, nxpk= 15, iat= 115, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HN           11 LYS  HN          4.50    (#    269:15  Preassigned    4.49, 4.54 A)
 &rst
  ixpk= 269, nxpk= 15, iat= 191, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HN           11 LYS  HN          2.80    (#    270:15  Preassigned    2.00, 2.07 A)
 &rst
  ixpk= 270, nxpk= 15, iat= 162, 169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 THR  HA           11 LYS  HN          4.50    (#    271:15  Preassigned    4.81, 4.89 A)
 &rst
  ixpk= 271, nxpk= 15, iat= 117, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HB           11 LYS  HN          4.50    (#    272:15  Preassigned    4.06, 4.22 A)
 &rst
  ixpk= 272, nxpk= 15, iat= 119, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HA-          11 LYS  HN          3.50    (#    273:15  Preassigned    2.99, 3.26 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 165,
 &end
#
#   11 LYS  HA           11 LYS  HN          3.50    (#    274:15  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 274, nxpk= 15, iat= 171, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GLY  HA+          11 LYS  HN          3.50    (#    275:15  Preassigned    2.99, 3.26 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 165,
 &end
#
#   11 LYS  HB-          11 LYS  HN          2.80    (#    276:15  Preassigned    2.22, 2.92 A)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 173, 174,
 &end
#
#   11 LYS  HB+          11 LYS  HN          2.80    (#    277:15  Preassigned    2.22, 2.92 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 173, 174,
 &end
#
#   11 LYS  HG+          11 LYS  HN          4.50    (#    278:15  Preassigned    3.39, 3.71 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#    0 AMB  15-3:279     11 LYS  HN          3.50    (#    279:15  Single Ambig)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 176, 177, 154, 155, 156, 121, 122, 123,
 &end
#
#   12 THR  QG2          11 LYS  HN          7.00    (#    280:15  Preassigned    6.89, 7.59 A)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 197, 198, 199,
 &end
#
#   13 ILE  HN            5 VAL  HN          3.50    (#    281:15  Preassigned    3.50, 3.52 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 205,  77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HN            5 VAL  HN          4.50    (#    282:15  Preassigned    4.06, 4.09 A)
 &rst
  ixpk= 282, nxpk= 15, iat=  93,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HD2           5 VAL  HN          5.50    (#    283:15  Preassigned    4.65, 4.72 A)
 &rst
  ixpk= 283, nxpk= 15, iat=  73,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HA            5 VAL  HN          2.80    (#    284:15  Preassigned    2.18, 2.19 A)
 &rst
  ixpk= 284, nxpk= 15, iat=  59,  77, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:285      5 VAL  HN          4.50    (#    285:15  Single Ambig)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,  95,
 &end
#
#   12 THR  HA            5 VAL  HN          4.50    (#    286:15  Preassigned    4.69, 4.73 A)
 &rst
  ixpk= 286, nxpk= 15, iat= 193,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HA            5 VAL  HN          4.50    (#    287:15  Preassigned    2.82, 2.89 A)
 &rst
  ixpk= 287, nxpk= 15, iat= 226,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HA            5 VAL  HN          4.50    (#    288:15  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  79,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HB-           5 VAL  HN          4.50    (#    289:15  Preassigned    3.89, 4.10 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+           5 VAL  HN          3.50    (#    290:15  Preassigned    3.89, 4.10 A)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:291      5 VAL  HN          5.50    (#    291:15  Single Ambig)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 209, 524, 525,1068,
 &end
#
#    5 VAL  HB            5 VAL  HN          3.50    (#    292:15  Preassigned    2.60, 2.72 A)
 &rst
  ixpk= 292, nxpk= 15, iat=  81,  77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  HG1+          5 VAL  HN          4.50    (#    293:15  Preassigned    4.52, 5.23 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#    0 AMB  15-3:294      5 VAL  HN          3.50    (#    294:15  Single Ambig)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 197, 198, 199, 215, 216,  48,  49,
 &end
#
#   13 ILE  QG2           5 VAL  HN          3.50    (#    295:15  Unique         3.14, 4.23 A)
 &rst
  ixpk= 295, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  15-3:296      5 VAL  HN          2.80    (#    296:15  Single Ambig)
 &rst
  ixpk= 296, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  83,  84,  85,  87,  88,  89,  83,  84,  85,  87,
        88,  89,
 &end
#
#   22 THR  HB           23 ILE  HN          2.80    (#    297:15  Preassigned    2.87, 2.95 A)
 &rst
  ixpk= 297, nxpk= 15, iat= 344, 354, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   72 ARG  HA           72 ARG  HN          2.80    (#    298:15  Unique         2.75, 2.77 A)
 &rst
  ixpk= 298, nxpk= 15, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 GLY  HA+          23 ILE  HN          5.50    (#    299:15  Preassigned    5.35, 5.84 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 843, 844,
 &end
#
#   23 ILE  HA           23 ILE  HN          3.50    (#    300:15  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 300, nxpk= 15, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:301     72 ARG  HN          4.50    (#    301:15  Single Ambig)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1161,1162,1161,1162,
 &end
#
#    0 AMB  15-3:303     72 ARG  HN          2.80    (#    303:15  Single Ambig)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1155,1156, 661, 662,1139,
 &end
#
#   23 ILE  HG1-         23 ILE  HN          3.50    (#    304:15  Preassigned    2.13, 2.95 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 364, 365,
 &end
#
#    0 AMB  15-3:305     72 ARG  HN          3.50    (#    305:15  Single Ambig)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1122,1123,1124,1126,1127,1128,1141,1142,1143,1145,
      1146,1147,1141,1142,1143,1145,1146,1147,1184,1185,
      1186,1188,1189,1190,
 &end
#
#   23 ILE  QD1          23 ILE  HN          3.50    (#    306:15  Preassigned    2.05, 3.01 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 367, 368, 369,
 &end
#
#   55 THR  HA           23 ILE  HN          3.50    (#    307:15  Preassigned    2.54, 2.61 A)
 &rst
  ixpk= 307, nxpk= 15, iat= 874, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLN  HN           30 ILE  HN          3.50    (#    308:15  Preassigned    2.64, 2.68 A)
 &rst
  ixpk= 308, nxpk= 15, iat= 491, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HN           30 ILE  HN          4.50    (#    309:15  Preassigned    4.17, 4.18 A)
 &rst
  ixpk= 309, nxpk= 15, iat= 508, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 LYS  HN           30 ILE  HN          3.50    (#    310:15  Preassigned    2.74, 2.76 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 450, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 GLN  HE2-         30 ILE  HN          4.50    (#    311:15  Preassigned    3.53, 4.32 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   27 LYS  HA           30 ILE  HN          4.50    (#    312:15  Preassigned    3.39, 3.46 A)
 &rst
  ixpk= 312, nxpk= 15, iat= 420, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:313     30 ILE  HN          3.50    (#    313:15  Single Ambig)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 452, 442,
 &end
#
#   30 ILE  HA           30 ILE  HN          3.50    (#    314:15  Preassigned    2.79, 2.80 A)
 &rst
  ixpk= 314, nxpk= 15, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HB           30 ILE  HN          3.50    (#    315:15  Preassigned    2.72, 2.75 A)
 &rst
  ixpk= 315, nxpk= 15, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HB+          30 ILE  HN          3.50    (#    316:15  Preassigned    2.49, 3.17 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#   30 ILE  HG1+         30 ILE  HN          3.50    (#    317:15  Preassigned    2.13, 2.86 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 482, 483,
 &end
#
#    0 AMB  15-3:318     30 ILE  HN          4.50    (#    318:15  Single Ambig)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 457, 458, 460, 461,
 &end
#
#    0 AMB  15-3:319     30 ILE  HN          3.50    (#    319:15  Single Ambig)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 458, 527, 528, 527, 528, 444, 445, 446,
 &end
#
#    0 AMB  15-3:320     30 ILE  HN          4.50    (#    320:15  Single Ambig)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 422, 423, 425, 426, 460, 461, 245,
 &end
#
#   30 ILE  QD1          30 ILE  HN          3.50    (#    321:15  Preassigned    2.00, 2.91 A)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 485, 486, 487,
 &end
#
#   30 ILE  HG1-         30 ILE  HN          2.80    (#    322:15  Unique         2.13, 2.86 A)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 482, 483,
 &end
#
#    0 AMB  15-3:323     25 ASN  HN          4.50    (#    323:15  Single Ambig)
 &rst
  ixpk= 323, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 418, 354,
 &end
#
#   26 VAL  HN           25 ASN  HN          3.50    (#    324:15  Preassigned    2.65, 2.68 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 402, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 THR  HB           25 ASN  HN          3.50    (#    325:15  Preassigned    3.71, 3.77 A)
 &rst
  ixpk= 325, nxpk= 15, iat= 344, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HA           25 ASN  HN          3.50    (#    326:15  Preassigned    2.80, 2.81 A)
 &rst
  ixpk= 326, nxpk= 15, iat= 390, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           25 ASN  HN          4.50    (#    327:15  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 327, nxpk= 15, iat= 375, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HB+          25 ASN  HN          3.50    (#    328:15  Preassigned    2.10, 2.90 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB-          25 ASN  HN          3.50    (#    329:15  Preassigned    2.10, 2.90 A)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#    0 AMB  15-3:330     25 ASN  HN          3.50    (#    330:15  Single Ambig)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 380, 381, 380, 381,
 &end
#
#    0 AMB  15-3:331     25 ASN  HN          3.50    (#    331:15  Single Ambig)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 377, 378, 377, 378,
 &end
#
#   22 THR  QG2          25 ASN  HN          4.50    (#    332:15  Preassigned    5.58, 5.80 A)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 346, 347, 348,
 &end
#
#   26 VAL  QG+          25 ASN  HN          4.50    (#    333:15  Preassigned    4.26, 6.20 A)
 &rst
  ixpk= 333, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:334     12 THR  HN          4.50    (#    334:15  Single Ambig)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 224,
 &end
#
#   11 LYS  HN           12 THR  HN          4.50    (#    335:15  Preassigned    4.49, 4.54 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 169, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HA           12 THR  HN          3.50    (#    336:15  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 193, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HA           12 THR  HN          2.80    (#    337:15  Preassigned    2.21, 2.31 A)
 &rst
  ixpk= 337, nxpk= 15, iat= 171, 191, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 THR  HB           12 THR  HN          3.50    (#    338:15  Preassigned    2.70, 2.87 A)
 &rst
  ixpk= 338, nxpk= 15, iat= 195, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HB+          12 THR  HN          4.50    (#    339:15  Preassigned    3.01, 3.68 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#   11 LYS  HB-          12 THR  HN          4.50    (#    340:15  Unique         3.01, 3.68 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#   11 LYS  HG+          12 THR  HN          3.50    (#    341:15  Preassigned    2.29, 3.58 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 176, 177,
 &end
#
#   11 LYS  HG-          12 THR  HN          3.50    (#    342:15  Preassigned    2.29, 3.58 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 176, 177,
 &end
#
#   12 THR  QG2          12 THR  HN          4.50    (#    343:15  Preassigned    4.45, 4.74 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 197, 198, 199,
 &end
#
#   45 PHE  HN           48 LYS  HN          3.50    (#    344:15  Preassigned    2.76, 2.87 A)
 &rst
  ixpk= 344, nxpk= 15, iat= 719, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLY  HN           48 LYS  HN          3.50    (#    345:15  Preassigned    2.57, 2.63 A)
 &rst
  ixpk= 345, nxpk= 15, iat= 749, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ILE  HA           48 LYS  HN          4.50    (#    346:15  Preassigned    4.55, 4.63 A)
 &rst
  ixpk= 346, nxpk= 15, iat= 702, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LYS  HA           48 LYS  HN          3.50    (#    347:15  Preassigned    2.92, 2.94 A)
 &rst
  ixpk= 347, nxpk= 15, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:348     48 LYS  HN          2.80    (#    348:15  Single Ambig)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 760, 761, 760, 761,
 &end
#
#    0 AMB  15-3:349     48 LYS  HN          3.50    (#    349:15  Single Ambig)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 763, 764, 763, 764,
 &end
#
#   30 ILE  HN           29 LYS  HN          3.50    (#    350:15  Preassigned    2.74, 2.76 A)
 &rst
  ixpk= 350, nxpk= 15, iat= 472, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:351     29 LYS  HN          3.50    (#    351:15  Single Ambig)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 452, 442,
 &end
#
#   26 VAL  HA           29 LYS  HN          4.50    (#    352:15  Preassigned    3.55, 3.56 A)
 &rst
  ixpk= 352, nxpk= 15, iat= 404, 450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:353     29 LYS  HN          4.50    (#    353:15  Single Ambig)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 406, 380, 381,
 &end
#
#   29 LYS  HB+          29 LYS  HN          3.50    (#    354:15  Preassigned    2.73, 3.16 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#   29 LYS  HB-          29 LYS  HN          3.50    (#    355:15  Preassigned    2.73, 3.16 A)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#   29 LYS  HG-          29 LYS  HN          2.80    (#    356:15  Preassigned    1.92, 2.35 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 457, 458,
 &end
#
#    0 AMB  15-3:357     29 LYS  HN          2.80    (#    357:15  Single Ambig)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 457, 458, 444, 445, 446,
 &end
#
#    0 AMB  15-3:358     29 LYS  HN          3.50    (#    358:15  Single Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 460, 461, 422, 423,
 &end
#
#    0 AMB  15-3:359     29 LYS  HN          3.50    (#    359:15  Single Ambig)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 482, 483, 247, 248, 249, 251, 252, 253, 247, 248,
       249, 251, 252, 253, 408, 409, 410, 412, 413, 414,
      
 &end
#
#    0 AMB  15-3:360     29 LYS  HN          4.50    (#    360:15  Single Ambig)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 491, 418,
 &end
#
#   51 GLU  HA           52 ASP  HN          2.80    (#    361:15  Preassigned    2.19, 2.20 A)
 &rst
  ixpk= 361, nxpk= 15, iat= 816, 829, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:362     52 ASP  HN          4.50    (#    362:15  Single Ambig)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 843, 844, 797,
 &end
#
#   52 ASP  HB-          52 ASP  HN          2.80    (#    363:15  Preassigned    2.09, 2.90 A)
 &rst
  ixpk= 363, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 833, 834,
 &end
#
#   51 GLU  HG-          52 ASP  HN          3.50    (#    364:15  Preassigned    3.67, 4.08 A)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 821, 822,
 &end
#
#   51 GLU  HB+          52 ASP  HN          3.50    (#    365:15  Unique         2.96, 3.68 A)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 818, 819,
 &end
#
#    0 AMB  15-3:366     52 ASP  HN          5.50    (#    366:15  Single Ambig)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 377, 378, 377, 378, 852, 853,
 &end
#
#   54 ARG  HG+          52 ASP  HN          5.50    (#    367:15  Preassigned    5.96, 6.53 A)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 855, 856,
 &end
#
#    0 AMB  15-3:368     52 ASP  HN          5.50    (#    368:15  Single Ambig)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 428, 429, 425, 426,1158,1159,1158,1159,
 &end
#
#   23 ILE  QG2          52 ASP  HN          4.50    (#    369:15  Preassigned    3.34, 4.48 A)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
#   54 ARG  HN           52 ASP  HN          5.50    (#    370:15  Preassigned    4.23, 4.25 A)
 &rst
  ixpk= 370, nxpk= 15, iat= 848, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HN           63 LYS  HN          4.50    (#    371:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 371, nxpk= 15, iat=1021, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLN  HN           63 LYS  HN          4.50    (#    372:15  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 372, nxpk= 15, iat= 982, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLN  HA           63 LYS  HN          2.80    (#    373:15  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 373, nxpk= 15, iat= 984, 999, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 LYS  HA           63 LYS  HN          3.50    (#    374:15  Preassigned    2.27, 2.27 A)
 &rst
  ixpk= 374, nxpk= 15, iat=1001, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:375     63 LYS  HN          4.50    (#    375:15  Single Ambig)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 989, 990,1028,1029,1028,1029,
 &end
#
#   63 LYS  HB-          63 LYS  HN          7.00    (#    376:15  Preassigned    2.98, 3.81 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1003,1004,
 &end
#
#    0 AMB  15-3:377     63 LYS  HN          2.80    (#    377:15  Single Ambig)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1003,1004, 986, 987, 986, 987,
 &end
#
#   63 LYS  HD+          63 LYS  HN          3.50    (#    378:15  Preassigned    3.84, 4.16 A)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1009,1010,
 &end
#
#    1 MET  QE           63 LYS  HN          3.50    (#    379:15  Unique         1.91, 2.74 A)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  15,  16,  17,
 &end
#
#    0 AMB  15-3:380     63 LYS  HN          3.50    (#    380:15  Single Ambig)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1006,1007,1006,1007,
 &end
#
#   34 GLU  HN           36 ILE  HN          4.50    (#    381:15  Preassigned    3.63, 3.65 A)
 &rst
  ixpk= 381, nxpk= 15, iat= 542, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 GLY  HN           36 ILE  HN          3.50    (#    382:15  Preassigned    2.14, 2.22 A)
 &rst
  ixpk= 382, nxpk= 15, iat= 557, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:383     36 ILE  HN          4.50    (#    383:15  Single Ambig)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 544, 593,
 &end
#
#   36 ILE  HA           36 ILE  HN          3.50    (#    384:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 384, nxpk= 15, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 GLY  HA-          36 ILE  HN          3.50    (#    385:15  Preassigned    3.15, 3.27 A)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 559, 560,
 &end
#
#   31 GLN  HA           36 ILE  HN          2.80    (#    386:15  Preassigned    2.00, 2.03 A)
 &rst
  ixpk= 386, nxpk= 15, iat= 493, 564, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:387     36 ILE  HN          3.50    (#    387:15  Single Ambig)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547, 498, 499,
 &end
#
#    0 AMB  15-3:388     36 ILE  HN          3.50    (#    388:15  Single Ambig)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499, 495, 496,
 &end
#
#   34 GLU  HB-          36 ILE  HN          3.50    (#    389:15  Preassigned    2.67, 3.14 A)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#    0 AMB  15-3:390     36 ILE  HN          2.80    (#    390:15  Single Ambig)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 574, 575, 568,
 &end
#
#   36 ILE  HG1+         36 ILE  HN          3.50    (#    391:15  Preassigned    2.49, 3.17 A)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 574, 575,
 &end
#
#   36 ILE  QG2          36 ILE  HN          4.50    (#    392:15  Preassigned    4.39, 4.63 A)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 570, 571, 572,
 &end
#
#   36 ILE  QD1          36 ILE  HN          3.50    (#    393:15  Preassigned    4.01, 4.62 A)
 &rst
  ixpk= 393, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 577, 578, 579,
 &end
#
#   34 GLU  HN           32 ASP  HN          4.50    (#    394:15  Preassigned    3.75, 3.77 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 542, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           32 ASP  HN          3.50    (#    395:15  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HN           32 ASP  HN          4.50    (#    396:15  Preassigned    4.17, 4.18 A)
 &rst
  ixpk= 396, nxpk= 15, iat= 472, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LYS  HN           32 ASP  HN          3.50    (#    397:15  Preassigned    2.35, 2.35 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 520, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:398     32 ASP  HN          7.00    (#    398:15  Single Ambig)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 593, 420,
 &end
#
#   32 ASP  HA           32 ASP  HN          2.80    (#    399:15  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 399, nxpk= 15, iat= 510, 508, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:400     32 ASP  HN          3.50    (#    400:15  Single Ambig)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 452, 442,
 &end
#
#   31 GLN  HA           32 ASP  HN          3.50    (#    401:15  Preassigned    3.50, 3.50 A)
 &rst
  ixpk= 401, nxpk= 15, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HB+          32 ASP  HN          2.80    (#    402:15  Preassigned    2.14, 2.68 A)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 512, 513,
 &end
#
#   31 GLN  HB+          32 ASP  HN          3.50    (#    403:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   31 GLN  HG-          32 ASP  HN          4.50    (#    404:15  Preassigned    4.16, 4.67 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 498, 499,
 &end
#
#   31 GLN  HB-          32 ASP  HN          3.50    (#    405:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#    0 AMB  15-3:406     32 ASP  HN          3.50    (#    406:15  Single Ambig)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 527, 528, 527, 528, 444, 445, 446,
 &end
#
#    0 AMB  15-3:407     32 ASP  HN          4.50    (#    407:15  Single Ambig)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 478, 479, 480, 482, 483, 218, 219, 220,
 &end
#
#    7 THR  HN            8 LEU  HN          4.50    (#    408:15  Preassigned    4.58, 4.60 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 115, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HN            8 LEU  HN          3.50    (#    409:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 148, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA            8 LEU  HN          2.80    (#    410:15  Preassigned    2.29, 2.36 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 LEU  HA            8 LEU  HN          3.50    (#    411:15  Preassigned    2.78, 2.82 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 131, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LEU  HG            8 LEU  HN          3.50    (#    412:15  Preassigned    2.75, 2.90 A)
 &rst
  ixpk= 412, nxpk= 15, iat= 136, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:413      8 LEU  HN          2.80    (#    413:15  Single Ambig)
 &rst
  ixpk= 413, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 133, 134, 133, 134,
 &end
#
#   69 LEU  HB-           8 LEU  HN          4.50    (#    414:15  Unique         3.00, 4.17 A)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1101,1102,
 &end
#
#    7 THR  QG2           8 LEU  HN          3.50    (#    415:15  Unique         3.92, 4.51 A)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 121, 122, 123,
 &end
#
#   70 VAL  QG-           8 LEU  HN          4.50    (#    416:15  Preassigned    4.12, 6.48 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   69 LEU  QD-           8 LEU  HN          3.50    (#    417:15  Preassigned    2.25, 4.58 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   61 ILE  HG1-         61 ILE  HN          3.50    (#    418:15  Preassigned    2.21, 3.22 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 973, 974,
 &end
#
#   60 ASN  HN           61 ILE  HN          3.50    (#    419:15  Preassigned    2.49, 2.53 A)
 &rst
  ixpk= 419, nxpk= 15, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:420     61 ILE  HN          4.50    (#    420:15  Single Ambig)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 958, 959, 982,
 &end
#
#   60 ASN  HA           61 ILE  HN          3.50    (#    421:15  Preassigned    2.86, 3.04 A)
 &rst
  ixpk= 421, nxpk= 15, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HA           61 ILE  HN          3.50    (#    422:15  Preassigned    2.44, 2.85 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 907, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HA           61 ILE  HN          4.50    (#    423:15  Preassigned    4.28, 4.38 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 888, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HB-          61 ILE  HN          4.50    (#    424:15  Preassigned    2.96, 3.88 A)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#   61 ILE  HA           61 ILE  HN          3.50    (#    425:15  Preassigned    2.80, 2.90 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HB-          61 ILE  HN          4.50    (#    426:15  Preassigned    3.77, 4.15 A)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 953, 954,
 &end
#
#   59 TYR  HB+          61 ILE  HN          4.50    (#    427:15  Preassigned    2.96, 3.88 A)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#   61 ILE  HB           61 ILE  HN          2.80    (#    428:15  Preassigned    2.45, 2.48 A)
 &rst
  ixpk= 428, nxpk= 15, iat= 967, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ILE  HG1+         61 ILE  HN          3.50    (#    429:15  Preassigned    2.21, 3.22 A)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 973, 974,
 &end
#
#    0 AMB  15-3:430     61 ILE  HN          4.50    (#    430:15  Single Ambig)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 895, 896, 897, 899, 900, 901,1070,1071,1072,1074,
      1075,1076, 367, 368, 369,  44,  45,  46,
 &end
#
#    0 AMB  15-3:431     61 ILE  HN          3.50    (#    431:15  Single Ambig)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#   55 THR  HN           54 ARG  HN          4.50    (#    433:15  Preassigned    4.47, 4.51 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 872, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HN           54 ARG  HN          4.50    (#    434:15  Preassigned    3.65, 3.84 A)
 &rst
  ixpk= 434, nxpk= 15, iat= 354, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HE1          54 ARG  HN          4.50    (#    435:15  Preassigned    3.94, 3.99 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 938, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HA           54 ARG  HN          3.50    (#    436:15  Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 436, nxpk= 15, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 ASP  HA           54 ARG  HN          4.50    (#    437:15  Preassigned    3.67, 3.91 A)
 &rst
  ixpk= 437, nxpk= 15, iat= 831, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 GLY  HA-          54 ARG  HN          3.50    (#    438:15  Preassigned    3.04, 3.25 A)
 &rst
  ixpk= 438, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 843, 844,
 &end
#
#   54 ARG  HD-          54 ARG  HN          4.50    (#    439:15  Preassigned    3.19, 4.91 A)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 858, 859,
 &end
#
#   23 ILE  HB           54 ARG  HN          4.50    (#    440:15  Unique         3.41, 3.52 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 358, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HB+          54 ARG  HN          2.80    (#    441:15  Unique         2.34, 2.99 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 852, 853,
 &end
#
#   54 ARG  HB-          54 ARG  HN          3.50    (#    442:15  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 852, 853,
 &end
#
#   54 ARG  HG+          54 ARG  HN          3.50    (#    443:15  Preassigned    2.96, 3.27 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 855, 856,
 &end
#
#   54 ARG  HG-          54 ARG  HN          3.50    (#    444:15  Preassigned    2.96, 3.27 A)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 855, 856,
 &end
#
#   23 ILE  HG1-         54 ARG  HN          4.50    (#    445:15  Preassigned    2.90, 3.66 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#   21 ASP  HN           18 GLU  HN          4.50    (#    446:15  Preassigned    4.01, 4.05 A)
 &rst
  ixpk= 446, nxpk= 15, iat= 328, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HA           18 GLU  HN          3.50    (#    447:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 447, nxpk= 15, iat= 290, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 VAL  HA           18 GLU  HN          2.80    (#    448:15  Preassigned    2.73, 2.74 A)
 &rst
  ixpk= 448, nxpk= 15, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 ASP  HB-          18 GLU  HN          4.50    (#    449:15  Unique         2.55, 3.37 A)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
#   21 ASP  HB+          18 GLU  HN          4.50    (#    450:15  Preassigned    2.55, 3.37 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
#   17 VAL  HB           18 GLU  HN          2.80    (#    451:15  Preassigned    1.73, 1.75 A)
 &rst
  ixpk= 451, nxpk= 15, iat= 276, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HB+          18 GLU  HN          3.50    (#    452:15  Preassigned    2.41, 3.40 A)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   18 GLU  HB-          18 GLU  HN          3.50    (#    453:15  Preassigned    2.41, 3.40 A)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#    0 AMB  15-3:454     18 GLU  HN          2.80    (#    454:15  Single Ambig)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 278, 279, 280, 282, 283, 284, 895, 896, 897, 899,
       900, 901,
 &end
#
#   17 VAL  QG+          18 GLU  HN          3.50    (#    455:15  Preassigned    2.90, 3.91 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   26 VAL  HN           27 LYS  HN          3.50    (#    456:15  Preassigned    2.70, 2.72 A)
 &rst
  ixpk= 456, nxpk= 15, iat= 402, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:457     27 LYS  HN          3.50    (#    457:15  Single Ambig)
 &rst
  ixpk= 457, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 440, 388,
 &end
#
#   27 LYS  HA           27 LYS  HN          3.50    (#    458:15  Preassigned    2.76, 2.77 A)
 &rst
  ixpk= 458, nxpk= 15, iat= 420, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           27 LYS  HN          4.50    (#    459:15  Preassigned    3.66, 3.70 A)
 &rst
  ixpk= 459, nxpk= 15, iat= 375, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HA           27 LYS  HN          4.50    (#    460:15  Preassigned    3.86, 3.90 A)
 &rst
  ixpk= 460, nxpk= 15, iat= 356, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  HA           27 LYS  HN          4.50    (#    461:15  Preassigned    3.54, 3.55 A)
 &rst
  ixpk= 461, nxpk= 15, iat= 404, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HE+          27 LYS  HN          4.50    (#    462:15  Preassigned    4.17, 4.93 A)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 431, 432,
 &end
#
#   26 VAL  HB           27 LYS  HN          3.50    (#    463:15  Preassigned    2.43, 2.52 A)
 &rst
  ixpk= 463, nxpk= 15, iat= 406, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HB-          27 LYS  HN          3.50    (#    464:15  Preassigned    2.07, 3.07 A)
 &rst
  ixpk= 464, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 422, 423,
 &end
#
#   27 LYS  HG+          27 LYS  HN          2.80    (#    465:15  Preassigned    2.28, 2.63 A)
 &rst
  ixpk= 465, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 425, 426,
 &end
#
#    0 AMB  15-3:466     27 LYS  HN          3.50    (#    466:15  Single Ambig)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 422, 423, 425, 426,
 &end
#
#   26 VAL  QG+          27 LYS  HN          3.50    (#    467:15  Preassigned    3.35, 4.44 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   26 VAL  QG-          27 LYS  HN          2.80    (#    468:15  Preassigned    3.35, 4.44 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:469      4 PHE  HN          3.50    (#    469:15  Single Ambig)
 &rst
  ixpk= 469, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,  77,
 &end
#
#    3 ILE  HN            4 PHE  HN          4.50    (#    470:15  Preassigned    4.38, 4.41 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  38,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:471      4 PHE  HN          4.50    (#    471:15  Single Ambig)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  67,  71,  69,
 &end
#
#    4 PHE  HD1           4 PHE  HN          3.50    (#    472:15  Preassigned    3.23, 3.30 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  65,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 PHE  HA            4 PHE  HN          4.50    (#    473:15  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 473, nxpk= 15, iat=  59,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  HA            4 PHE  HN          3.50    (#    474:15  Preassigned    2.89, 2.97 A)
 &rst
  ixpk= 474, nxpk= 15, iat=1049,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HA            4 PHE  HN          2.80    (#    475:15  Preassigned    2.23, 2.26 A)
 &rst
  ixpk= 475, nxpk= 15, iat=  40,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HA            4 PHE  HN          4.50    (#    476:15  Preassigned    4.05, 4.15 A)
 &rst
  ixpk= 476, nxpk= 15, iat=1023,  57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HB-           4 PHE  HN          3.50    (#    477:15  Preassigned    2.81, 3.26 A)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+           4 PHE  HN          3.50    (#    478:15  Preassigned    2.81, 3.26 A)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    3 ILE  HB            4 PHE  HN          2.80    (#    479:15  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 479, nxpk= 15, iat=  42,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 ILE  HG1+          4 PHE  HN          4.50    (#    480:15  Preassigned    4.58, 4.96 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#   66 THR  QG2           4 PHE  HN          4.50    (#    481:15  Preassigned    5.12, 5.91 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:482      4 PHE  HN          3.50    (#    482:15  Single Ambig)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  44,  45,  46,  51,  52,  53,
 &end
#
#    0 AMB  15-3:483     68 HIS  HN          5.50    (#    483:15  Single Ambig)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 719, 739,
 &end
#
#    0 AMB  15-3:484     68 HIS  HN          3.50    (#    484:15  Single Ambig)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1082, 721,
 &end
#
#   67 LEU  HA           68 HIS  HN          2.80    (#    485:15  Preassigned    2.40, 2.47 A)
 &rst
  ixpk= 485, nxpk= 15, iat=1063,1080, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 HIS  HB+          68 HIS  HN          3.50    (#    486:15  Preassigned    2.41, 2.93 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#   68 HIS  HB-          68 HIS  HN          3.50    (#    487:15  Preassigned    2.41, 2.93 A)
 &rst
  ixpk= 487, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
#    0 AMB  15-3:488     68 HIS  HN          2.80    (#    488:15  Single Ambig)
 &rst
  ixpk= 488, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1065,1066, 704,
 &end
#
#   67 LEU  HB-          68 HIS  HN          3.50    (#    489:15  Preassigned    2.67, 3.38 A)
 &rst
  ixpk= 489, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1065,1066,
 &end
#
#    0 AMB  15-3:490     68 HIS  HN          2.80    (#    490:15  Single Ambig)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1070,1071,1072,1074,1075,1076,  83,  84,  85,  87,
        88,  89, 706, 707, 708,
 &end
#
#   57 SER  HN           56 LEU  HN          3.50    (#    491:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 491, nxpk= 15, iat= 905, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HA           56 LEU  HN          3.50    (#    492:15  Preassigned    2.36, 2.37 A)
 &rst
  ixpk= 492, nxpk= 15, iat= 874, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 THR  HA           56 LEU  HN          4.50    (#    493:15  Preassigned    3.68, 3.74 A)
 &rst
  ixpk= 493, nxpk= 15, iat= 342, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:494     56 LEU  HN          5.50    (#    494:15  Single Ambig)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 330, 850,
 &end
#
#   55 THR  HB           56 LEU  HN          3.50    (#    495:15  Preassigned    2.41, 2.48 A)
 &rst
  ixpk= 495, nxpk= 15, iat= 876, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 SER  HA           56 LEU  HN          4.50    (#    496:15  Preassigned    4.51, 4.55 A)
 &rst
  ixpk= 496, nxpk= 15, iat= 319, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HA           56 LEU  HN          3.50    (#    497:15  Unique         2.74, 2.74 A)
 &rst
  ixpk= 497, nxpk= 15, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HB+          56 LEU  HN          3.50    (#    498:15  Preassigned    2.42, 3.07 A)
 &rst
  ixpk= 498, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
#   56 LEU  HG           56 LEU  HN          3.50    (#    499:15  Preassigned    2.25, 2.29 A)
 &rst
  ixpk= 499, nxpk= 15, iat= 893, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  QG2          56 LEU  HN          3.50    (#    500:15  Preassigned    3.60, 4.30 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 878, 879, 880,
 &end
#
#   56 LEU  QD-          56 LEU  HN          3.50    (#    501:15  Preassigned    2.83, 4.14 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  15-3:502     56 LEU  HN          3.50    (#    502:15  Single Ambig)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 895, 896, 897, 899, 900, 901, 367, 368, 369,
 &end
#
#    0 AMB  15-3:503     56 LEU  HN          4.50    (#    503:15  Single Ambig)
 &rst
  ixpk= 503, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#    0 AMB  15-3:504     41 GLN  HN          4.50    (#    504:15  Single Ambig)
 &rst
  ixpk= 504, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1151, 611,
 &end
#
#   42 ARG  HN           41 GLN  HN          4.50    (#    505:15  Preassigned    3.96, 3.98 A)
 &rst
  ixpk= 505, nxpk= 15, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLN  HN           41 GLN  HN          2.80    (#    506:15  Preassigned    2.09, 2.13 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 623, 640, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:507     41 GLN  HN          3.50    (#    507:15  Single Ambig)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 625, 613,
 &end
#
#    0 AMB  15-3:508     41 GLN  HN          3.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 607,
 &end
#
#   41 GLN  HG+          41 GLN  HN          4.50    (#    509:15  Preassigned    4.35, 4.60 A)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 647, 648,
 &end
#
#    0 AMB  15-3:510     41 GLN  HN          4.50    (#    510:15  Single Ambig)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 590, 591, 422, 423, 495, 496,
 &end
#
#    0 AMB  15-3:511     41 GLN  HN          3.50    (#    511:15  Single Ambig)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1155,1156,1158,1159,
 &end
#
#    3 ILE  HN           17 VAL  HN          4.50    (#    513:15  Preassigned    3.97, 4.04 A)
 &rst
  ixpk= 513, nxpk= 15, iat=  38, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HN           17 VAL  HN          4.50    (#    514:15  Preassigned    4.40, 4.45 A)
 &rst
  ixpk= 514, nxpk= 15, iat= 257, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GLN  HA           17 VAL  HN          4.50    (#    515:15  Preassigned    2.07, 2.16 A)
 &rst
  ixpk= 515, nxpk= 15, iat=  23, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HA           17 VAL  HN          2.80    (#    516:15  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 516, nxpk= 15, iat= 259, 272, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 VAL  HA           17 VAL  HN          3.50    (#    517:15  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HG-          17 VAL  HN          3.50    (#    518:15  Unique         3.70, 4.31 A)
 &rst
  ixpk= 518, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 264, 265,
 &end
#
#    0 AMB  15-3:519     17 VAL  HN          3.50    (#    519:15  Single Ambig)
 &rst
  ixpk= 519, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 264, 265,   8,   9,
 &end
#
#    0 AMB  15-3:521     17 VAL  HN          4.50    (#    521:15  Single Ambig)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  25,  26,  15,  16,  17,
 &end
#
#    0 AMB  15-3:522     17 VAL  HN          4.50    (#    522:15  Single Ambig)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  44,  45,  46,  51,  52,  53,
 &end
#
#   17 VAL  QG-          17 VAL  HN          3.50    (#    523:15  Preassigned    2.41, 3.76 A)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  QG+          17 VAL  HN          2.80    (#    524:15  Preassigned    2.41, 3.76 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   67 LEU  HN           66 THR  HN          4.50    (#    525:15  Preassigned    3.90, 4.12 A)
 &rst
  ixpk= 525, nxpk= 15, iat=1061,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN           66 THR  HN          4.50    (#    526:15  Preassigned    4.41, 4.46 A)
 &rst
  ixpk= 526, nxpk= 15, iat=1036,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HE1          66 THR  HN          3.50    (#    527:15  Preassigned    2.04, 2.79 A)
 &rst
  ixpk= 527, nxpk= 15, iat= 729,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HA           66 THR  HN          3.50    (#    528:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 528, nxpk= 15, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 SER  HA           66 THR  HN          2.80    (#    530:15  Preassigned    2.15, 2.30 A)
 &rst
  ixpk= 530, nxpk= 15, iat=1038,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 THR  HB           66 THR  HN          2.80    (#    531:15  Preassigned    2.45, 2.58 A)
 &rst
  ixpk= 531, nxpk= 15, iat=1051,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 SER  HB-          66 THR  HN          3.50    (#    532:15  Preassigned    2.54, 3.65 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   66 THR  QG2          66 THR  HN          4.50    (#    533:15  Preassigned    4.33, 4.61 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:534     66 THR  HN          4.50    (#    534:15  Single Ambig)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
      1075,1076,
 &end
#
#    0 AMB  15-3:535     66 THR  HN          4.50    (#    535:15  Single Ambig)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 969, 970, 971, 976, 977, 978,
 &end
#
#   65 SER  HB+          66 THR  HN          3.50    (#    536:15  Preassigned    2.54, 3.65 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   39 ASP  HN           40 GLN  HN          3.50    (#    537:15  Preassigned    2.63, 2.64 A)
 &rst
  ixpk= 537, nxpk= 15, iat= 611, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 GLN  HN           40 GLN  HN          2.80    (#    538:15  Preassigned    2.09, 2.13 A)
 &rst
  ixpk= 538, nxpk= 15, iat= 640, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:539     40 GLN  HN          3.50    (#    539:15  Single Ambig)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 625, 613,
 &end
#
#    0 AMB  15-3:540     40 GLN  HN          4.50    (#    540:15  Single Ambig)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 607, 642,
 &end
#
#   39 ASP  HB-          40 GLN  HN          4.50    (#    541:15  Preassigned    3.09, 3.68 A)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 615, 616,
 &end
#
#    0 AMB  15-3:542     40 GLN  HN          2.80    (#    542:15  Single Ambig)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 590, 591, 630, 631, 630, 631,
 &end
#
#   37 PRO  HB-          40 GLN  HN          3.50    (#    543:15  Preassigned    3.10, 3.95 A)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 590, 591,
 &end
#
#   40 GLN  HB-          40 GLN  HN          3.50    (#    544:15  Preassigned    2.61, 2.97 A)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 627, 628,
 &end
#
#    0 AMB  15-3:545     40 GLN  HN          4.50    (#    545:15  Single Ambig)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1155,1156, 601, 602,1158,1159,1158,1159,1201,1202,
      1201,1202,
 &end
#
#   36 ILE  QG2          40 GLN  HN          4.50    (#    546:15  Preassigned    4.18, 5.00 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 570, 571, 572,
 &end
#
#   58 ASP  HN           60 ASN  HN          4.50    (#    547:15  Preassigned    4.21, 4.25 A)
 &rst
  ixpk= 547, nxpk= 15, iat= 916, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HN           60 ASN  HN          2.80    (#    548:15  Preassigned    2.27, 2.30 A)
 &rst
  ixpk= 548, nxpk= 15, iat= 928, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 TYR  HA           60 ASN  HN          4.50    (#    549:15  Preassigned    3.05, 3.06 A)
 &rst
  ixpk= 549, nxpk= 15, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HA           60 ASN  HN          3.50    (#    550:15  Preassigned    3.47, 3.49 A)
 &rst
  ixpk= 550, nxpk= 15, iat= 907, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HA           60 ASN  HN          2.80    (#    551:15  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 551, nxpk= 15, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 TYR  HB-          60 ASN  HN          4.50    (#    552:15  Preassigned    3.91, 4.15 A)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#   60 ASN  HB+          60 ASN  HN          3.50    (#    553:15  Preassigned    3.21, 3.65 A)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   60 ASN  HB-          60 ASN  HN          3.50    (#    554:15  Preassigned    3.21, 3.65 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   59 TYR  HB+          60 ASN  HN          4.50    (#    555:15  Preassigned    3.91, 4.15 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#    0 AMB  15-3:556     60 ASN  HN          4.50    (#    556:15  Single Ambig)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#   60 ASN  HN           59 TYR  HN          3.50    (#    557:15  Preassigned    2.27, 2.30 A)
 &rst
  ixpk= 557, nxpk= 15, iat= 949, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           59 TYR  HN          3.50    (#    558:15  Preassigned    2.58, 2.59 A)
 &rst
  ixpk= 558, nxpk= 15, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:559     59 TYR  HN          4.50    (#    559:15  Single Ambig)
 &rst
  ixpk= 559, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 958, 959, 994, 995, 938,
 &end
#
#   59 TYR  HA           59 TYR  HN          3.50    (#    560:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 560, nxpk= 15, iat= 930, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:561     59 TYR  HN          3.50    (#    561:15  Single Ambig)
 &rst
  ixpk= 561, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 918, 907,
 &end
#
#   56 LEU  HA           59 TYR  HN          4.50    (#    562:15  Preassigned    3.73, 3.79 A)
 &rst
  ixpk= 562, nxpk= 15, iat= 888, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HB-          59 TYR  HN          3.50    (#    563:15  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 932, 933,
 &end
#
#   58 ASP  HB+          59 TYR  HN          4.50    (#    564:15  Preassigned    3.35, 3.73 A)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   59 TYR  HB+          59 TYR  HN          3.50    (#    565:15  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 932, 933,
 &end
#
#   58 ASP  HB-          59 TYR  HN          4.50    (#    566:15  Preassigned    3.35, 3.73 A)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   61 ILE  HG1+         59 TYR  HN          4.50    (#    567:15  Preassigned    3.99, 4.88 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   61 ILE  QD1          59 TYR  HN          4.50    (#    568:15  Preassigned    3.46, 4.55 A)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 976, 977, 978,
 &end
#
#   34 GLU  HN           33 LYS  HN          2.80    (#    569:15  Preassigned    2.02, 2.03 A)
 &rst
  ixpk= 569, nxpk= 15, iat= 542, 520, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:570     33 LYS  HN          3.50    (#    570:15  Single Ambig)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 557, 491,
 &end
#
#   32 ASP  HN           33 LYS  HN          3.50    (#    571:15  Preassigned    2.35, 2.35 A)
 &rst
  ixpk= 571, nxpk= 15, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLU  HA           33 LYS  HN          5.50    (#    572:15  Preassigned    4.77, 4.78 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 544, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:573     33 LYS  HN          2.80    (#    573:15  Single Ambig)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 522, 510,
 &end
#
#   31 GLN  HA           33 LYS  HN          4.50    (#    574:15  Preassigned    3.95, 3.97 A)
 &rst
  ixpk= 574, nxpk= 15, iat= 493, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HA           33 LYS  HN          4.50    (#    575:15  Preassigned    3.21, 3.24 A)
 &rst
  ixpk= 575, nxpk= 15, iat= 474, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 ASP  HB-          33 LYS  HN          3.50    (#    576:15  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:577     33 LYS  HN          4.50    (#    577:15  Single Ambig)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 546, 547, 498, 499,
 &end
#
#   33 LYS  HB+          33 LYS  HN          3.50    (#    578:15  Preassigned    2.59, 3.17 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   33 LYS  HB-          33 LYS  HN          2.80    (#    579:15  Preassigned    2.59, 3.17 A)
 &rst
  ixpk= 579, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 524, 525,
 &end
#
#    0 AMB  15-3:580     33 LYS  HN          3.50    (#    580:15  Single Ambig)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528, 527, 528,
 &end
#
#   30 ILE  QD1          33 LYS  HN          4.50    (#    581:15  Preassigned    5.05, 5.81 A)
 &rst
  ixpk= 581, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 485, 486, 487,
 &end
#
#    0 AMB  15-3:582     33 LYS  HN          3.50    (#    582:15  Single Ambig)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 478, 479, 480, 218, 219, 220,
 &end
#
#   63 LYS  HN           64 GLU  HN          4.50    (#    583:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 583, nxpk= 15, iat= 999,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN           64 GLU  HN          3.50    (#    584:15  Preassigned    3.07, 3.13 A)
 &rst
  ixpk= 584, nxpk= 15, iat=1036,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:585     64 GLU  HN          4.50    (#    585:15  Single Ambig)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  69,  71,  67,
 &end
#
#    3 ILE  HA           64 GLU  HN          4.50    (#    586:15  Preassigned    3.67, 3.76 A)
 &rst
  ixpk= 586, nxpk= 15, iat=  40,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LYS  HA           64 GLU  HN          2.80    (#    587:15  Preassigned    2.31, 2.34 A)
 &rst
  ixpk= 587, nxpk= 15, iat=1001,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HA           64 GLU  HN          3.50    (#    588:15  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 588, nxpk= 15, iat=1023,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:589     64 GLU  HN          4.50    (#    589:15  Single Ambig)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  11,  12,1025,1026,
 &end
#
#   64 GLU  HB-          64 GLU  HN          4.50    (#    590:15  Preassigned    3.39, 3.68 A)
 &rst
  ixpk= 590, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1025,1026,
 &end
#
#    0 AMB  15-3:591     64 GLU  HN          3.50    (#    591:15  Single Ambig)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1028,1029,1028,1029,
 &end
#
#    0 AMB  15-3:592     64 GLU  HN          4.50    (#    592:15  Single Ambig)
 &rst
  ixpk= 592, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1003,1004,   8,   9,
 &end
#
#    0 AMB  15-3:593     64 GLU  HN          3.50    (#    593:15  Single Ambig)
 &rst
  ixpk= 593, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1003,1004,  28,  29,
 &end
#
#    0 AMB  15-3:594     64 GLU  HN          5.50    (#    594:15  Single Ambig)
 &rst
  ixpk= 594, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1009,1010,  42,
 &end
#
#    0 AMB  15-3:595     64 GLU  HN          4.50    (#    595:15  Single Ambig)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,1006,1007,
 &end
#
#    3 ILE  QG2          64 GLU  HN          3.50    (#    596:15  Preassigned    3.68, 4.75 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
#   74 ARG  HA           76 GLY  HN          4.50    (#    598:15  Preassigned    3.10, 3.80 A)
 &rst
  ixpk= 598, nxpk= 15, iat=1196,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 GLY  HA-          76 GLY  HN          3.50    (#    599:15  Preassigned    2.67, 3.21 A)
 &rst
  ixpk= 599, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1220,1221,
 &end
#
#    0 AMB  15-3:600     76 GLY  HN          2.80    (#    600:15  Single Ambig)
 &rst
  ixpk= 600, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1227,1228,1227,1228,1220,1221,
 &end
#
#    0 AMB  15-3:601     76 GLY  HN          4.50    (#    601:15  Single Ambig)
 &rst
  ixpk= 601, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1201,1202,1201,1202,
 &end
#
#   64 GLU  HN           65 SER  HN          3.50    (#    602:15  Preassigned    3.07, 3.13 A)
 &rst
  ixpk= 602, nxpk= 15, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THR  HN           65 SER  HN          4.50    (#    603:15  Preassigned    4.41, 4.46 A)
 &rst
  ixpk= 603, nxpk= 15, iat=1047,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HG           65 SER  HN          4.50    (#    604:15  Unique         3.91, 4.14 A)
 &rst
  ixpk= 604, nxpk= 15, iat=1043,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HA           65 SER  HN          3.50    (#    605:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 605, nxpk= 15, iat=1038,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HA           65 SER  HN          4.50    (#    606:15  Preassigned    2.07, 2.11 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  40,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HB+          65 SER  HN          3.50    (#    607:15  Preassigned    2.32, 2.83 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   65 SER  HB-          65 SER  HN          3.50    (#    608:15  Preassigned    2.32, 2.83 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1040,1041,
 &end
#
#   64 GLU  HA           65 SER  HN          3.50    (#    609:15  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 609, nxpk= 15, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:610     65 SER  HN          4.50    (#    610:15  Single Ambig)
 &rst
  ixpk= 610, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  28,  29,1028,1029,1028,1029,
 &end
#
#    0 AMB  15-3:611     65 SER  HN          4.50    (#    611:15  Single Ambig)
 &rst
  ixpk= 611, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  28,  29,1003,1004,  25,  26,
 &end
#
#    3 ILE  QG2          65 SER  HN          3.50    (#    612:15  Preassigned    1.86, 2.89 A)
 &rst
  ixpk= 612, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
#   61 ILE  QG2          65 SER  HN          4.50    (#    613:15  Preassigned    4.05, 4.53 A)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 969, 970, 971,
 &end
#
#    0 AMB  15-3:614      3 ILE  HN          4.50    (#    614:15  Single Ambig)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 272,  21,
 &end
#
#   15 LEU  HN            3 ILE  HN          3.50    (#    615:15  Preassigned    2.53, 2.60 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 238,  38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HA            3 ILE  HN          2.80    (#    616:15  Preassigned    2.35, 2.39 A)
 &rst
  ixpk= 616, nxpk= 15, iat=  23,  38, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 GLU  HA            3 ILE  HN          3.50    (#    617:15  Preassigned    3.58, 3.59 A)
 &rst
  ixpk= 617, nxpk= 15, iat= 259,  38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HA            3 ILE  HN          3.50    (#    618:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 618, nxpk= 15, iat=  40,  38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HG+           3 ILE  HN          4.50    (#    619:15  Preassigned    2.90, 3.56 A)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  28,  29,
 &end
#
#    0 AMB  15-3:620      3 ILE  HN          3.50    (#    620:15  Single Ambig)
 &rst
  ixpk= 620, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  25,  26,  28,  29,
 &end
#
#    2 GLN  HB+           3 ILE  HN          3.50    (#    621:15  Preassigned    2.55, 3.31 A)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#   15 LEU  HB-           3 ILE  HN          4.50    (#    622:15  Preassigned    4.88, 5.09 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 242, 243,
 &end
#
#   14 THR  QG2           3 ILE  HN          4.50    (#    623:15  Preassigned    3.16, 3.73 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 230, 231, 232,
 &end
#
#    3 ILE  HG1+          3 ILE  HN          3.50    (#    624:15  Preassigned    1.88, 2.46 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  48,  49,
 &end
#
#    3 ILE  HG1-          3 ILE  HN          3.50    (#    625:15  Preassigned    1.88, 2.46 A)
 &rst
  ixpk= 625, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  48,  49,
 &end
#
#    3 ILE  QG2           3 ILE  HN          3.50    (#    626:15  Preassigned    3.83, 4.36 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
#   17 VAL  QG+           3 ILE  HN          4.50    (#    627:15  Preassigned    3.57, 5.31 A)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  15-3:628      7 THR  HN          4.50    (#    628:15  Single Ambig)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  93, 129,
 &end
#
#   11 LYS  HN            7 THR  HN          4.50    (#    629:15  Preassigned    2.97, 3.07 A)
 &rst
  ixpk= 629, nxpk= 15, iat= 169, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HA            7 THR  HN          3.50    (#    630:15  Preassigned    2.86, 2.88 A)
 &rst
  ixpk= 630, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HA            7 THR  HN          2.80    (#    631:15  Preassigned    2.14, 2.15 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  95, 115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 THR  HA            7 THR  HN          4.50    (#    632:15  Preassigned    3.32, 3.43 A)
 &rst
  ixpk= 632, nxpk= 15, iat= 193, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HB            7 THR  HN          4.50    (#    633:15  Preassigned    3.62, 3.63 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 119, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LYS  HG+           7 THR  HN          4.50    (#    634:15  Preassigned    2.81, 3.33 A)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    0 AMB  15-3:635      7 THR  HN          3.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180, 179, 180,
 &end
#
#    0 AMB  15-3:636      7 THR  HN          3.50    (#    636:15  Single Ambig)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 100, 101,  97,  98,
 &end
#
#    7 THR  QG2           7 THR  HN          3.50    (#    637:15  Preassigned    2.36, 3.32 A)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 121, 122, 123,
 &end
#
#    0 AMB  15-3:638      7 THR  HN          4.50    (#    638:15  Single Ambig)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1101,1102, 197, 198, 199,
 &end
#
#    0 AMB  15-3:639      7 THR  HN          5.50    (#    639:15  Single Ambig)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1106,1107,1108,1110,1111,1112,  83,  84,  85,  87,
        88,  89,  83,  84,  85,  87,  88,  89,
 &end
#
#   35 GLY  HN           34 GLU  HN          3.50    (#    640:15  Preassigned    1.89, 1.92 A)
 &rst
  ixpk= 640, nxpk= 15, iat= 557, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ASP  HN           34 GLU  HN          4.50    (#    641:15  Preassigned    3.75, 3.77 A)
 &rst
  ixpk= 641, nxpk= 15, iat= 508, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LYS  HN           34 GLU  HN          3.50    (#    642:15  Preassigned    2.02, 2.03 A)
 &rst
  ixpk= 642, nxpk= 15, iat= 520, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ILE  HN           34 GLU  HN          4.50    (#    643:15  Preassigned    3.63, 3.65 A)
 &rst
  ixpk= 643, nxpk= 15, iat= 564, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLU  HA           34 GLU  HN          3.50    (#    644:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 644, nxpk= 15, iat= 544, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:645     34 GLU  HN          3.50    (#    645:15  Single Ambig)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 510,
 &end
#
#   35 GLY  HA-          34 GLU  HN          4.50    (#    646:15  Preassigned    4.13, 4.36 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 559, 560,
 &end
#
#   35 GLY  HA+          34 GLU  HN          4.50    (#    647:15  Preassigned    4.13, 4.36 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 559, 560,
 &end
#
#   30 ILE  HA           34 GLU  HN          4.50    (#    648:15  Preassigned    3.75, 3.77 A)
 &rst
  ixpk= 648, nxpk= 15, iat= 474, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLU  HB+          34 GLU  HN          3.50    (#    649:15  Preassigned    2.56, 3.17 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#   33 LYS  HB+          34 GLU  HN          3.50    (#    650:15  Unique         3.04, 3.63 A)
 &rst
  ixpk= 650, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   33 LYS  HB-          34 GLU  HN          3.50    (#    651:15  Preassigned    3.04, 3.63 A)
 &rst
  ixpk= 651, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#   34 GLU  HB-          34 GLU  HN          3.50    (#    652:15  Preassigned    2.56, 3.17 A)
 &rst
  ixpk= 652, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#    0 AMB  15-3:653     34 GLU  HN          5.50    (#    653:15  Single Ambig)
 &rst
  ixpk= 653, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 574, 575, 568,
 &end
#
#    0 AMB  15-3:654     34 GLU  HN          3.50    (#    654:15  Single Ambig)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 478, 479, 480, 218, 219, 220,
 &end
#
#   40 GLN  HN           39 ASP  HN          3.50    (#    655:15  Preassigned    2.63, 2.64 A)
 &rst
  ixpk= 655, nxpk= 15, iat= 623, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 GLN  HN           39 ASP  HN          4.50    (#    656:15  Preassigned    3.95, 3.98 A)
 &rst
  ixpk= 656, nxpk= 15, iat= 640, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 PRO  HA           39 ASP  HN          4.50    (#    658:15  Preassigned    4.18, 4.23 A)
 &rst
  ixpk= 658, nxpk= 15, iat= 593, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASP  HA           39 ASP  HN          3.50    (#    659:15  Preassigned    2.80, 2.81 A)
 &rst
  ixpk= 659, nxpk= 15, iat= 613, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 PRO  HA           39 ASP  HN          4.50    (#    660:15  Preassigned    3.53, 3.54 A)
 &rst
  ixpk= 660, nxpk= 15, iat= 607, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:661     39 ASP  HN          3.50    (#    661:15  Single Ambig)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599, 598, 599,
 &end
#
#   39 ASP  HB+          39 ASP  HN          3.50    (#    662:15  Preassigned    2.10, 2.99 A)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 615, 616,
 &end
#
#   39 ASP  HB-          39 ASP  HN          3.50    (#    663:15  Preassigned    2.10, 2.99 A)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 615, 616,
 &end
#
#   37 PRO  HB+          39 ASP  HN          3.50    (#    664:15  Unique         2.68, 3.49 A)
 &rst
  ixpk= 664, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 590, 591,
 &end
#
#   38 PRO  HB+          39 ASP  HN          3.50    (#    665:15  Preassigned    3.20, 3.66 A)
 &rst
  ixpk= 665, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 604, 605,
 &end
#
#   38 PRO  HB-          39 ASP  HN          3.50    (#    666:15  Preassigned    3.20, 3.66 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 604, 605,
 &end
#
#   38 PRO  HG-          39 ASP  HN          3.50    (#    667:15  Unique         2.22, 3.02 A)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 601, 602,
 &end
#
#   56 LEU  HN           57 SER  HN          3.50    (#    668:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 668, nxpk= 15, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           57 SER  HN          3.50    (#    669:15  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 669, nxpk= 15, iat= 916, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 TYR  HN           57 SER  HN          4.50    (#    670:15  Preassigned    4.09, 4.11 A)
 &rst
  ixpk= 670, nxpk= 15, iat= 928, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HA           57 SER  HN          4.50    (#    671:15  Preassigned    4.57, 4.63 A)
 &rst
  ixpk= 671, nxpk= 15, iat= 874, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HB           57 SER  HN          3.50    (#    673:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 673, nxpk= 15, iat= 876, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HA           57 SER  HN          3.50    (#    674:15  Preassigned    2.79, 2.80 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:675     57 SER  HN          3.50    (#    675:15  Single Ambig)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 888,
 &end
#
#   57 SER  HB-          57 SER  HN          3.50    (#    676:15  Preassigned    2.17, 2.91 A)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   19 PRO  HB+          57 SER  HN          4.50    (#    677:15  Preassigned    3.71, 4.18 A)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 310, 311,
 &end
#
#   56 LEU  HB+          57 SER  HN          3.50    (#    678:15  Preassigned    2.29, 2.85 A)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
#   56 LEU  HG           57 SER  HN          4.50    (#    679:15  Preassigned    4.19, 4.24 A)
 &rst
  ixpk= 679, nxpk= 15, iat= 893, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HB-          57 SER  HN          3.50    (#    680:15  Preassigned    2.29, 2.85 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
#   56 LEU  QD-          57 SER  HN          4.50    (#    681:15  Preassigned    4.73, 5.48 A)
 &rst
  ixpk= 681, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  15-3:682     57 SER  HN          4.50    (#    682:15  Single Ambig)
 &rst
  ixpk= 682, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 895, 896, 897, 899, 900, 901, 367, 368, 369,
 &end
#
#    0 AMB  15-3:683     57 SER  HN          4.50    (#    683:15  Single Ambig)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 978, 969, 970, 971,
 &end
#
#    5 VAL  HN           13 ILE  HN          3.50    (#    717:15  Preassigned    3.50, 3.52 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  77, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:718     13 ILE  HN          4.50    (#    718:15  Single Ambig)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 224,
 &end
#
#   12 THR  HN           13 ILE  HN          4.50    (#    719:15  Preassigned    4.00, 4.07 A)
 &rst
  ixpk= 719, nxpk= 15, iat= 191, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HA           13 ILE  HN          4.50    (#    720:15  Preassigned    4.50, 4.58 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  59, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LYS  HA           13 ILE  HN          4.50    (#    721:15  Preassigned    2.92, 3.01 A)
 &rst
  ixpk= 721, nxpk= 15, iat=  95, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HA           13 ILE  HN          2.80    (#    722:15  Preassigned    2.15, 2.16 A)
 &rst
  ixpk= 722, nxpk= 15, iat= 193, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 VAL  HA           13 ILE  HN          5.50    (#    723:15  Preassigned    4.71, 4.74 A)
 &rst
  ixpk= 723, nxpk= 15, iat=  79, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HA           13 ILE  HN          3.50    (#    724:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 724, nxpk= 15, iat= 207, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 VAL  HB           13 ILE  HN          4.50    (#    725:15  Preassigned    3.55, 3.60 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  81, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ILE  HB           13 ILE  HN          3.50    (#    726:15  Preassigned    3.18, 3.21 A)
 &rst
  ixpk= 726, nxpk= 15, iat= 209, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ILE  HG1+         13 ILE  HN          4.50    (#    727:15  Preassigned    4.27, 4.56 A)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 215, 216,
 &end
#
#    0 AMB  15-3:728     13 ILE  HN          3.50    (#    728:15  Single Ambig)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 197, 198, 199, 215, 216,
 &end
#
#   13 ILE  QG2          13 ILE  HN          4.50    (#    729:15  Preassigned    1.92, 2.60 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  15-3:730     13 ILE  HN          3.50    (#    730:15  Single Ambig)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 218, 219, 220,  83,  84,  85,  87,  88,  89,  83,
        84,  85,  87,  88,  89,
 &end
#
#   46 ALA  HN           47 GLY  HN          3.50    (#    731:15  Preassigned    2.85, 2.90 A)
 &rst
  ixpk= 731, nxpk= 15, iat= 739, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 LYS  HN           47 GLY  HN          3.50    (#    732:15  Preassigned    2.57, 2.63 A)
 &rst
  ixpk= 732, nxpk= 15, iat= 756, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 PHE  HA           47 GLY  HN          4.50    (#    733:15  Preassigned    3.98, 4.08 A)
 &rst
  ixpk= 733, nxpk= 15, iat= 721, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 GLY  HA-          47 GLY  HN          2.80    (#    734:15  Preassigned    2.30, 2.59 A)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 751, 752,
 &end
#
#   46 ALA  HA           47 GLY  HN          3.50    (#    735:15  Preassigned    2.67, 2.71 A)
 &rst
  ixpk= 735, nxpk= 15, iat= 741, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLY  HA+          47 GLY  HN          2.80    (#    736:15  Preassigned    2.30, 2.59 A)
 &rst
  ixpk= 736, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 751, 752,
 &end
#
#    0 AMB  15-3:738     47 GLY  HN          4.50    (#    738:15  Single Ambig)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 760, 761, 760, 761,
 &end
#
#   46 ALA  QB           47 GLY  HN          3.50    (#    739:15  Preassigned    4.31, 4.47 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 743, 744, 745,
 &end
#
#   44 ILE  QG2          47 GLY  HN          3.50    (#    740:15  Preassigned    2.69, 3.18 A)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 706, 707, 708,
 &end
#
#   21 ASP  HN           20 SER  HN          3.50    (#    741:15  Preassigned    2.17, 2.24 A)
 &rst
  ixpk= 741, nxpk= 15, iat= 328, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 GLU  HA           20 SER  HN          4.50    (#    742:15  Preassigned    3.79, 3.84 A)
 &rst
  ixpk= 742, nxpk= 15, iat= 290, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HA           20 SER  HN          3.50    (#    744:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 744, nxpk= 15, iat= 319, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:745     20 SER  HN          3.50    (#    745:15  Single Ambig)
 &rst
  ixpk= 745, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 321, 322, 313,
 &end
#
#   19 PRO  HD+          20 SER  HN          3.50    (#    746:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 304, 305,
 &end
#
#    0 AMB  15-3:747     20 SER  HN          3.50    (#    747:15  Single Ambig)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 304, 305, 321, 322,
 &end
#
#   19 PRO  HB+          20 SER  HN          4.50    (#    748:15  Preassigned    3.72, 4.10 A)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 310, 311,
 &end
#
#   18 GLU  HB+          20 SER  HN          3.50    (#    749:15  Preassigned    2.16, 3.02 A)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#   19 PRO  HB-          20 SER  HN          3.50    (#    750:15  Preassigned    3.72, 4.10 A)
 &rst
  ixpk= 750, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 311,
 &end
#
#   18 GLU  HB-          20 SER  HN          3.50    (#    751:15  Preassigned    2.16, 3.02 A)
 &rst
  ixpk= 751, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#    8 LEU  HN            9 THR  HN          3.50    (#    752:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 752, nxpk= 15, iat= 129, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GLY  HN            9 THR  HN          2.80    (#    753:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 753, nxpk= 15, iat= 162, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LYS  HN            9 THR  HN          3.50    (#    754:15  Preassigned    3.14, 3.38 A)
 &rst
  ixpk= 754, nxpk= 15, iat= 169, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA            9 THR  HN          4.50    (#    755:15  Preassigned    3.82, 3.87 A)
 &rst
  ixpk= 755, nxpk= 15, iat= 117, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HA            9 THR  HN          3.50    (#    756:15  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 756, nxpk= 15, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LEU  HA            9 THR  HN          4.50    (#    757:15  Preassigned    3.07, 3.25 A)
 &rst
  ixpk= 757, nxpk= 15, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HA+           9 THR  HN          4.50    (#    758:15  Preassigned    4.36, 4.79 A)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 164, 165,
 &end
#
#    0 AMB  15-3:759      9 THR  HN          3.50    (#    759:15  Single Ambig)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 133, 134, 133, 134,
 &end
#
#    9 THR  QG2           9 THR  HN          3.50    (#    760:15  Preassigned    3.99, 4.48 A)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 154, 155, 156,
 &end
#
#   69 LEU  QD-           9 THR  HN          5.50    (#    761:15  Unique         4.18, 6.61 A)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1106,1107,1108,1110,1111,1112,
 &end
#
#   47 GLY  HN           46 ALA  HN          3.50    (#    781:15  Preassigned    2.85, 2.90 A)
 &rst
  ixpk= 781, nxpk= 15, iat= 749, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 PHE  HD1          46 ALA  HN          3.50    (#    782:15  Unique         3.17, 3.27 A)
 &rst
  ixpk= 782, nxpk= 15, iat= 727, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 PHE  HA           46 ALA  HN          2.80    (#    783:15  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 783, nxpk= 15, iat= 721, 739, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 ALA  HA           46 ALA  HN          2.80    (#    784:15  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 784, nxpk= 15, iat= 741, 739, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 PHE  HB+          46 ALA  HN          4.50    (#    785:15  Preassigned    4.24, 4.33 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   45 PHE  HB-          46 ALA  HN          5.50    (#    786:15  Preassigned    4.24, 4.33 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 723, 724,
 &end
#
#   46 ALA  QB           46 ALA  HN          3.50    (#    787:15  Preassigned    3.12, 3.52 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 743, 744, 745,
 &end
#
#   44 ILE  QG2          46 ALA  HN          4.50    (#    788:15  Preassigned    3.63, 4.55 A)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 706, 707, 708,
 &end
#
#   58 ASP  HN           55 THR  HN          4.50    (#    789:15  Preassigned    3.46, 3.47 A)
 &rst
  ixpk= 789, nxpk= 15, iat= 916, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HN           55 THR  HN          4.50    (#    790:15  Preassigned    4.47, 4.51 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 848, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HA           55 THR  HN          4.50    (#    791:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 791, nxpk= 15, iat= 874, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           55 THR  HN          4.50    (#    792:15  Preassigned    4.21, 4.23 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 342, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HA           55 THR  HN          3.50    (#    793:15  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 793, nxpk= 15, iat= 850, 872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 THR  HB           55 THR  HN          4.50    (#    794:15  Preassigned    3.72, 3.74 A)
 &rst
  ixpk= 794, nxpk= 15, iat= 876, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HB+          55 THR  HN          3.50    (#    795:15  Preassigned    1.96, 2.18 A)
 &rst
  ixpk= 795, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-3:796     55 THR  HN          3.50    (#    796:15  Single Ambig)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 920, 921, 852, 853,
 &end
#
#   54 ARG  HB-          55 THR  HN          3.50    (#    797:15  Preassigned    2.05, 2.76 A)
 &rst
  ixpk= 797, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 852, 853,
 &end
#
#   54 ARG  HG+          55 THR  HN          4.50    (#    798:15  Preassigned    4.13, 4.48 A)
 &rst
  ixpk= 798, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 855, 856,
 &end
#
#   54 ARG  HG-          55 THR  HN          4.50    (#    799:15  Preassigned    4.13, 4.48 A)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 855, 856,
 &end
#
#   55 THR  QG2          55 THR  HN          3.50    (#    800:15  Preassigned    3.28, 4.03 A)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 878, 879, 880,
 &end
#
#   34 GLU  HN           35 GLY  HN          2.80    (#    801:15  Preassigned    1.89, 1.92 A)
 &rst
  ixpk= 801, nxpk= 15, iat= 542, 557, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 LYS  HN           35 GLY  HN          4.50    (#    802:15  Preassigned    3.36, 3.37 A)
 &rst
  ixpk= 802, nxpk= 15, iat= 520, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ILE  HN           35 GLY  HN          3.50    (#    803:15  Preassigned    2.14, 2.22 A)
 &rst
  ixpk= 803, nxpk= 15, iat= 564, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLU  HA           35 GLY  HN          3.50    (#    804:15  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 804, nxpk= 15, iat= 544, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:805     35 GLY  HN          4.50    (#    805:15  Single Ambig)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 522,
 &end
#
#   35 GLY  HA-          35 GLY  HN          2.80    (#    806:15  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#   35 GLY  HA+          35 GLY  HN          2.80    (#    807:15  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#    0 AMB  15-3:808     35 GLY  HN          3.50    (#    808:15  Single Ambig)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547, 498, 499,
 &end
#
#    0 AMB  15-3:809     35 GLY  HN          4.50    (#    809:15  Single Ambig)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 498, 499, 524, 525,
 &end
#
#   33 LYS  HB-          35 GLY  HN          5.50    (#    810:15  Preassigned    4.99, 5.51 A)
 &rst
  ixpk= 810, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 524, 525,
 &end
#
#   34 GLU  HB-          35 GLY  HN          3.50    (#    811:15  Preassigned    2.70, 3.28 A)
 &rst
  ixpk= 811, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 546, 547,
 &end
#
#    0 AMB  15-3:812     35 GLY  HN          4.50    (#    812:15  Single Ambig)
 &rst
  ixpk= 812, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 574, 575, 568,
 &end
#
#    9 THR  HN           10 GLY  HN          3.50    (#    813:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 813, nxpk= 15, iat= 148, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HN           10 GLY  HN          3.50    (#    814:15  Preassigned    2.00, 2.07 A)
 &rst
  ixpk= 814, nxpk= 15, iat= 169, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA           10 GLY  HN          5.50    (#    815:15  Preassigned    4.63, 4.77 A)
 &rst
  ixpk= 815, nxpk= 15, iat= 117, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 THR  HA           10 GLY  HN          3.50    (#    816:15  Preassigned    3.37, 3.40 A)
 &rst
  ixpk= 816, nxpk= 15, iat= 150, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 GLY  HA-          10 GLY  HN          3.50    (#    817:15  Preassigned    2.39, 2.68 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 165,
 &end
#
#    8 LEU  HA           10 GLY  HN          4.50    (#    818:15  Preassigned    3.60, 3.74 A)
 &rst
  ixpk= 818, nxpk= 15, iat= 131, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HA+          10 GLY  HN          2.80    (#    819:15  Preassigned    2.39, 2.68 A)
 &rst
  ixpk= 819, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 164, 165,
 &end
#
#    0 AMB  15-3:820     10 GLY  HN          4.50    (#    820:15  Single Ambig)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 106, 107, 106, 107,
 &end
#
#    0 AMB  15-3:821     10 GLY  HN          4.50    (#    821:15  Single Ambig)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 154, 155, 156, 176, 177,
 &end
#
#   55 THR  QG2          22 THR  HN          4.50    (#    823:15  Preassigned    2.88, 3.83 A)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 878, 879, 880,
 &end
#
#   22 THR  QG2          22 THR  HN          3.50    (#    824:15  Preassigned    2.70, 3.57 A)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 346, 347, 348,
 &end
#
#   21 ASP  HB+          22 THR  HN          3.50    (#    825:15  Preassigned    2.99, 3.80 A)
 &rst
  ixpk= 825, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
#   25 ASN  HB-          22 THR  HN          3.50    (#    826:15  Preassigned    3.55, 4.51 A)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB+          22 THR  HN          3.50    (#    827:15  Preassigned    3.55, 4.51 A)
 &rst
  ixpk= 827, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 392, 393,
 &end
#
#   21 ASP  HA           22 THR  HN          2.80    (#    828:15  Preassigned    2.17, 2.18 A)
 &rst
  ixpk= 828, nxpk= 15, iat= 330, 340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 THR  HB           22 THR  HN          4.50    (#    829:15  Preassigned    3.55, 3.56 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 344, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           22 THR  HN          3.50    (#    830:15  Preassigned    2.84, 2.86 A)
 &rst
  ixpk= 830, nxpk= 15, iat= 342, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HN           22 THR  HN          4.50    (#    831:15  Preassigned    4.55, 4.57 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 328, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 ARG  HA           75 GLY  HN          3.50    (#    854:15  Preassigned    2.15, 2.38 A)
 &rst
  ixpk= 854, nxpk= 15, iat=1196,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLY  HA-          75 GLY  HN          3.50    (#    855:15  Preassigned    2.30, 2.71 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1220,1221,
 &end
#
#    0 AMB  15-3:856     75 GLY  HN          4.50    (#    856:15  Single Ambig)
 &rst
  ixpk= 856, nxpk= 15, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1201,1202,1201,1202,
 &end
#
#    0 AMB  15-3:857     70 VAL  HN          3.50    (#    857:15  Single Ambig)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1101,1102, 664, 665, 664, 665,
 &end
#
#   12 THR  HB           13 ILE  HN          4.50    (#    858:15  Preassigned    4.19, 4.26 A)
 &rst
  ixpk= 858, nxpk= 15, iat= 195, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:859     13 ILE  HN          4.50    (#    859:15  Single Ambig)
 &rst
  ixpk= 859, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 100, 101,  97,  98,
 &end
#
#    0 AMB  15-3:860     13 ILE  HN          4.50    (#    860:15  Single Ambig)
 &rst
  ixpk= 860, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 176, 177, 121, 122, 123,
 &end
#
#   69 LEU  HN            6 LYS  HN          4.50    (#    861:15  Preassigned    4.09, 4.35 A)
 &rst
  ixpk= 861, nxpk= 15, iat=1097,  93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HB            6 LYS  HN          5.50    (#    862:15  Preassigned    4.30, 4.36 A)
 &rst
  ixpk= 862, nxpk= 15, iat=  81,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LEU  HB+          70 VAL  HN          4.50    (#    863:15  Preassigned    4.03, 4.24 A)
 &rst
  ixpk= 863, nxpk= 15, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1101,1102,
 &end
#
#   41 GLN  HA           70 VAL  HN          5.50    (#    864:15  Preassigned    4.50, 4.66 A)
 &rst
  ixpk= 864, nxpk= 15, iat= 642,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ARG  HA           70 VAL  HN          5.50    (#    865:15  Preassigned    4.96, 5.01 A)
 &rst
  ixpk= 865, nxpk= 15, iat= 659,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 LEU  HN           70 VAL  HN          5.50    (#    866:15  Preassigned    4.83, 4.93 A)
 &rst
  ixpk= 866, nxpk= 15, iat= 681,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:867     67 LEU  HN          5.50    (#    867:15  Single Ambig)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  65,  73,
 &end
#
#    4 PHE  HA           67 LEU  HN          5.50    (#    868:15  Preassigned    4.52, 4.60 A)
 &rst
  ixpk= 868, nxpk= 15, iat=  59,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 THR  HB           67 LEU  HN          4.50    (#    869:15  Preassigned    4.40, 4.43 A)
 &rst
  ixpk= 869, nxpk= 15, iat=1051,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:870     67 LEU  HN          5.50    (#    870:15  Single Ambig)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  97,  98, 100, 101,
 &end
#
#   17 VAL  QG+          15 LEU  HN          5.50    (#    871:15  Preassigned    4.55, 6.21 A)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#    2 GLN  HB+          15 LEU  HN          4.50    (#    872:15  Unique         3.63, 4.61 A)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  25,  26,
 &end
#
#   42 ARG  HN           71 LEU  HN          5.50    (#    873:15  Preassigned    3.49, 3.71 A)
 &rst
  ixpk= 873, nxpk= 15, iat= 657,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 GLN  HA           71 LEU  HN          5.50    (#    874:15  Preassigned    4.42, 4.51 A)
 &rst
  ixpk= 874, nxpk= 15, iat= 642,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HA           62 GLN  HN          5.50    (#    875:15  Preassigned    5.02, 5.09 A)
 &rst
  ixpk= 875, nxpk= 15, iat=1038, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    1 MET  QE           62 GLN  HN          4.50    (#    876:15  Preassigned    4.84, 5.83 A)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  15,  16,  17,
 &end
#
#   61 ILE  HB           62 GLN  HN          4.50    (#    877:15  Preassigned    4.46, 4.47 A)
 &rst
  ixpk= 877, nxpk= 15, iat= 967, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  QG2          62 GLN  HN          5.50    (#    878:15  Preassigned    5.94, 6.19 A)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  44,  45,  46,
 &end
#
#   56 LEU  HA           58 ASP  HN          4.50    (#    879:15  Preassigned    4.02, 4.06 A)
 &rst
  ixpk= 879, nxpk= 15, iat= 888, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HB-          58 ASP  HN          5.50    (#    880:15  Preassigned    4.66, 5.40 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#   54 ARG  HB-          58 ASP  HN          4.50    (#    881:15  Preassigned    4.78, 5.55 A)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 852, 853,
 &end
#
#   50 LEU  HN           43 LEU  HN          4.50    (#    882:15  Preassigned    3.56, 3.80 A)
 &rst
  ixpk= 882, nxpk= 15, iat= 795, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           21 ASP  HN          4.50    (#    883:15  Preassigned    4.50, 4.56 A)
 &rst
  ixpk= 883, nxpk= 15, iat= 905, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  QD+          21 ASP  HN          4.50    (#    884:15  Preassigned    3.98, 5.41 A)
 &rst
  ixpk= 884, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   34 GLU  HN           31 GLN  HN          4.50    (#    885:15  Preassigned    4.45, 4.46 A)
 &rst
  ixpk= 885, nxpk= 15, iat= 542, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LYS  HN           31 GLN  HN          4.50    (#    886:15  Preassigned    3.82, 3.83 A)
 &rst
  ixpk= 886, nxpk= 15, iat= 520, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 ASP  HB-          31 GLN  HN          4.50    (#    887:15  Preassigned    4.46, 5.10 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:888     31 GLN  HN          4.50    (#    888:15  Single Ambig)
 &rst
  ixpk= 888, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 444, 445, 446, 527, 528, 527, 528, 457, 458, 425,
       426,
 &end
#
#    0 AMB  15-3:889     31 GLN  HN          4.50    (#    889:15  Single Ambig)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 422, 423, 568, 425, 426, 574, 575,
 &end
#
#   30 ILE  QD1          31 GLN  HN          4.50    (#    890:15  Unique         4.54, 5.11 A)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 485, 486, 487,
 &end
#
#   26 VAL  QG+          28 ALA  HN          4.50    (#    891:15  Preassigned    5.40, 6.49 A)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   38 PRO  HG+          28 ALA  HN          4.50    (#    892:15  Preassigned    4.66, 5.48 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 601, 602,
 &end
#
#   31 GLN  HB+          28 ALA  HN          5.50    (#    893:15  Preassigned    5.50, 5.58 A)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#    5 VAL  HN           14 THR  HN          5.50    (#    894:15  Preassigned    4.49, 4.51 A)
 &rst
  ixpk= 894, nxpk= 15, iat=  77, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           14 THR  HN          3.50    (#    895:15  Preassigned    2.88, 2.89 A)
 &rst
  ixpk= 895, nxpk= 15, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HB           14 THR  HN          5.50    (#    896:15  Preassigned    4.91, 5.02 A)
 &rst
  ixpk= 896, nxpk= 15, iat= 195, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:897     14 THR  HN          4.50    (#    897:15  Single Ambig)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 179, 180, 179, 180,  25,  26,
 &end
#
#   52 ASP  HN           51 GLU  HN          4.50    (#    898:15  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 898, nxpk= 15, iat= 829, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:899     51 GLU  HN          5.50    (#    899:15  Single Ambig)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 945,
 &end
#
#    0 AMB  15-3:900     51 GLU  HN          4.50    (#    900:15  Single Ambig)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 858, 859, 858, 859,
 &end
#
#   23 ILE  HB           51 GLU  HN          5.50    (#    901:15  Unique         3.67, 3.83 A)
 &rst
  ixpk= 901, nxpk= 15, iat= 358, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:902     44 ILE  HN          4.50    (#    902:15  Single Ambig)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1120, 661, 662,
 &end
#
#   49 GLN  HA           44 ILE  HN          4.50    (#    903:15  Preassigned    4.60, 4.69 A)
 &rst
  ixpk= 903, nxpk= 15, iat= 780, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 GLU  HN            2 GLN  HN          4.50    (#    904:15  Preassigned    2.83, 2.85 A)
 &rst
  ixpk= 904, nxpk= 15, iat=1021,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN            2 GLN  HN          7.00    (#    905:15  Preassigned    5.19, 5.24 A)
 &rst
  ixpk= 905, nxpk= 15, iat=1036,  21, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 THR  QG2           2 GLN  HN          5.50    (#    906:15  Unique         5.75, 5.97 A)
 &rst
  ixpk= 906, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 230, 231, 232,
 &end
#
#    3 ILE  QG2           2 GLN  HN          4.50    (#    907:15  Preassigned    4.71, 5.67 A)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  44,  45,  46,
 &end
#
#   17 VAL  QG+           2 GLN  HN          4.50    (#    908:15  Preassigned    5.21, 7.32 A)
 &rst
  ixpk= 908, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   42 ARG  HB-          42 ARG  HN          3.50    (#    910:15  Preassigned    2.22, 2.64 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 661, 662,
 &end
#
#    4 PHE  HB+          13 ILE  HN          5.50    (#    911:15  Preassigned    4.93, 5.48 A)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:912     47 GLY  HN          5.50    (#    912:15  Single Ambig)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 763, 764, 763, 764,
 &end
#
#    0 AMB  15-3:915     47 GLY  HN          5.50    (#    915:15  Single Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 758, 780,
 &end
#
#    0 AMB  15-3:916     47 GLY  HN          5.50    (#    916:15  Single Ambig)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 735,
 &end
#
#   56 LEU  QD-          20 SER  HN          5.50    (#    917:15  Unique         4.68, 6.61 A)
 &rst
  ixpk= 917, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 THR  QG2          20 SER  HN          5.50    (#    918:15  Preassigned    5.57, 6.50 A)
 &rst
  ixpk= 918, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 878, 879, 880,
 &end
#
#   56 LEU  HB-          20 SER  HN          5.50    (#    919:15  Preassigned    4.26, 5.11 A)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 890, 891,
 &end
#
#   55 THR  HB           20 SER  HN          5.50    (#    920:15  Preassigned    5.01, 5.08 A)
 &rst
  ixpk= 920, nxpk= 15, iat= 876, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HA           20 SER  HN          4.50    (#    921:15  Unique         4.61, 4.64 A)
 &rst
  ixpk= 921, nxpk= 15, iat= 330, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HN           20 SER  HN          5.50    (#    922:15  Preassigned    4.78, 4.80 A)
 &rst
  ixpk= 922, nxpk= 15, iat= 905, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HN           20 SER  HN          4.50    (#    923:15  Preassigned    4.57, 4.65 A)
 &rst
  ixpk= 923, nxpk= 15, iat= 288, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LYS  HB-           9 THR  HN          4.50    (#    925:15  Preassigned    4.38, 5.39 A)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  15-3:926      9 THR  HN          5.50    (#    926:15  Single Ambig)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 106, 107, 106, 107,
 &end
#
#   69 LEU  HN            9 THR  HN          7.00    (#    927:15  Unique         5.80, 5.94 A)
 &rst
  ixpk= 927, nxpk= 15, iat=1097, 148, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    7 THR  HN            9 THR  HN          5.50    (#    928:15  Preassigned    4.09, 4.37 A)
 &rst
  ixpk= 928, nxpk= 15, iat= 115, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ILE  HB           46 ALA  HN          5.50    (#    936:15  Preassigned    5.67, 5.85 A)
 &rst
  ixpk= 936, nxpk= 15, iat= 704, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLY  HA+          46 ALA  HN          5.50    (#    937:15  Preassigned    5.15, 5.32 A)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
#   47 GLY  HA-          46 ALA  HN          5.50    (#    938:15  Preassigned    5.15, 5.32 A)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
#   67 LEU  HA           46 ALA  HN          4.50    (#    939:15  Preassigned    4.57, 4.67 A)
 &rst
  ixpk= 939, nxpk= 15, iat=1063, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LYS  HN           46 ALA  HN          4.50    (#    940:15  Preassigned    3.89, 3.92 A)
 &rst
  ixpk= 940, nxpk= 15, iat= 756, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HN           46 ALA  HN          5.50    (#    941:15  Preassigned    5.09, 5.20 A)
 &rst
  ixpk= 941, nxpk= 15, iat=1080, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  QD1          55 THR  HN          5.50    (#    942:15  Preassigned    4.02, 4.85 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 367, 368, 369,
 &end
#
#   22 THR  QG2          55 THR  HN          4.50    (#    943:15  Preassigned    4.29, 5.39 A)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 346, 347, 348,
 &end
#
#    0 AMB  15-3:944     55 THR  HN          5.50    (#    944:15  Single Ambig)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 843, 844, 797,
 &end
#
#   58 ASP  HA           55 THR  HN          4.50    (#    945:15  Unique         4.60, 4.63 A)
 &rst
  ixpk= 945, nxpk= 15, iat= 918, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 TYR  HE1          55 THR  HN          4.50    (#    946:15  Preassigned    3.44, 3.53 A)
 &rst
  ixpk= 946, nxpk= 15, iat= 938, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:947     55 THR  HN          4.50    (#    947:15  Single Ambig)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 936, 928,
 &end
#
#   56 LEU  HN           55 THR  HN          5.50    (#    948:15  Preassigned    4.47, 4.47 A)
 &rst
  ixpk= 948, nxpk= 15, iat= 886, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HN           55 THR  HN          7.00    (#    949:15  Preassigned    5.24, 5.29 A)
 &rst
  ixpk= 949, nxpk= 15, iat= 905, 872, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 ILE  HN           55 THR  HN          5.50    (#    950:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 950, nxpk= 15, iat= 354, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 ASP  HN           35 GLY  HN          5.50    (#    951:15  Preassigned    4.13, 4.15 A)
 &rst
  ixpk= 951, nxpk= 15, iat= 508, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:952     35 GLY  HN          5.50    (#    952:15  Single Ambig)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 474, 584, 585,
 &end
#
#    0 AMB  15-3:953     35 GLY  HN          4.50    (#    953:15  Single Ambig)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 478, 479, 480, 218, 219, 220,
 &end
#
#   36 ILE  HG1+         35 GLY  HN          4.50    (#    954:15  Preassigned    4.11, 4.93 A)
 &rst
  ixpk= 954, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 574, 575,
 &end
#
#    8 LEU  HN           10 GLY  HN          4.50    (#    955:15  Preassigned    4.22, 4.37 A)
 &rst
  ixpk= 955, nxpk= 15, iat= 129, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  HN           10 GLY  HN          4.50    (#    956:15  Preassigned    3.91, 4.03 A)
 &rst
  ixpk= 956, nxpk= 15, iat= 115, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 THR  HN           10 GLY  HN          7.00    (#    957:15  Preassigned    6.36, 6.49 A)
 &rst
  ixpk= 957, nxpk= 15, iat= 191, 162, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:960     10 GLY  HN          4.50    (#    960:15  Single Ambig)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 133, 134, 133, 134,
 &end
#
#   11 LYS  HB-          10 GLY  HN          4.50    (#    961:15  Preassigned    4.02, 4.79 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    6 LYS  HG+          10 GLY  HN          5.50    (#    962:15  Preassigned    3.66, 4.54 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 100, 101,
 &end
#
#   23 ILE  HN           22 THR  HN          4.50    (#    963:15  Preassigned    4.59, 4.61 A)
 &rst
  ixpk= 963, nxpk= 15, iat= 354, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:964     22 THR  HN          4.50    (#    964:15  Single Ambig)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 402, 886,
 &end
#
#   55 THR  HA           22 THR  HN          4.50    (#    965:15  Preassigned    4.30, 4.33 A)
 &rst
  ixpk= 965, nxpk= 15, iat= 874, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:966     22 THR  HN          5.50    (#    966:15  Single Ambig)
 &rst
  ixpk= 966, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 319, 831,
 &end
#
#    0 AMB  15-3:967     22 THR  HN          5.50    (#    967:15  Single Ambig)
 &rst
  ixpk= 967, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 295, 296, 380, 381, 380, 381, 406,
 &end
#
#    0 AMB  15-3:968     22 THR  HN          5.50    (#    968:15  Single Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 377, 378, 377, 378,
 &end
#
#   26 VAL  QG+          22 THR  HN          4.50    (#    969:15  Preassigned    4.89, 7.26 A)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:970     22 THR  HN          4.50    (#    970:15  Single Ambig)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 408, 409, 410, 412, 413, 414, 895, 896, 897, 899,
       900, 901,
 &end
#
#    0 AMB  15-3:971     22 THR  HN          5.50    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  15-3:972     67 LEU  HN          5.50    (#    972:15  Single Ambig)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 197, 198, 199, 973, 974,  48,  49,
 &end
#
#   69 LEU  HA           70 VAL  HN          2.80    (#    973:15  Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 973, nxpk= 15, iat=1099,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    2 GLN  HG+          15 LEU  HN          5.50    (#    974:15  Preassigned    4.40, 4.73 A)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  28,  29,
 &end
#
#    0 AMB  15-3:975     15 LEU  HN          5.50    (#    975:15  Single Ambig)
 &rst
  ixpk= 975, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 272,  21,
 &end
#
#   65 SER  HG           62 GLN  HN          4.50    (#    976:15  Unique         2.69, 3.58 A)
 &rst
  ixpk= 976, nxpk= 15, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           21 ASP  HN          5.50    (#    977:15  Preassigned    5.38, 5.41 A)
 &rst
  ixpk= 977, nxpk= 15, iat= 342, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HA           21 ASP  HN          5.50    (#    978:15  Preassigned    4.64, 4.72 A)
 &rst
  ixpk= 978, nxpk= 15, iat= 290, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ASN  HB+          21 ASP  HN          7.00    (#    979:15  Preassigned    6.89, 7.37 A)
 &rst
  ixpk= 979, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 392, 393,
 &end
#
#   17 VAL  QG+          21 ASP  HN          5.50    (#    980:15  Preassigned    6.17, 6.94 A)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   32 ASP  HB+          31 GLN  HN          4.50    (#    981:15  Preassigned    4.46, 5.10 A)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
#   30 ILE  HN           28 ALA  HN          4.50    (#    982:15  Preassigned    4.28, 4.31 A)
 &rst
  ixpk= 982, nxpk= 15, iat= 472, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  HA           28 ALA  HN          4.50    (#    983:15  Preassigned    4.54, 4.56 A)
 &rst
  ixpk= 983, nxpk= 15, iat= 404, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ASN  HB-          28 ALA  HN          5.50    (#    984:15  Unique         5.54, 5.82 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   12 THR  HA           14 THR  HN          5.50    (#    985:15  Preassigned    5.35, 5.43 A)
 &rst
  ixpk= 985, nxpk= 15, iat= 193, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HB-           2 GLN  HN          5.50    (#    986:15  Preassigned    6.05, 6.24 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1025,1026,
 &end
#
#    0 AMB  15-3:987      2 GLN  HN          5.50    (#    987:15  Single Ambig)
 &rst
  ixpk= 987, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1012,1013,1012,1013,
 &end
#
#   64 GLU  HA            2 GLN  HN          5.50    (#    988:15  Preassigned    4.51, 4.53 A)
 &rst
  ixpk= 988, nxpk= 15, iat=1023,  21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ARG  HN           51 GLU  HN          5.50    (#    989:15  Preassigned    3.57, 3.61 A)
 &rst
  ixpk= 989, nxpk= 15, iat= 848, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 GLN  HA           16 GLU  HN          4.50    (#    993:15  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 993, nxpk= 15, iat=  23, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           49 GLN  HN          4.50    (#    994:15  Preassigned    4.30, 4.42 A)
 &rst
  ixpk= 994, nxpk= 15, iat= 702, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HG1+         49 GLN  HN          5.50    (#    996:15  Preassigned    3.87, 5.15 A)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 710, 711,
 &end
#
#   44 ILE  HG1-         49 GLN  HN          4.50    (#    997:15  Preassigned    3.87, 5.15 A)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   41 GLN  HN           42 ARG  HN          4.50    (#    998:15  Preassigned    3.96, 3.98 A)
 &rst
  ixpk= 998, nxpk= 15, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 LEU  HN           42 ARG  HN          4.50    (#    999:15  Preassigned    4.52, 4.57 A)
 &rst
  ixpk= 999, nxpk= 15, iat= 681, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HN           11 LYS  HN          3.50    (#   1000:15  Preassigned    3.14, 3.38 A)
 &rst
  ixpk= 1000, nxpk= 15, iat= 148, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HA           11 LYS  HN          4.50    (#   1001:15  Preassigned    4.40, 4.55 A)
 &rst
  ixpk= 1001, nxpk= 15, iat=  95, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1002    11 LYS  HN          5.50    (#   1002:15  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183, 182, 183,
 &end
#
#    0 AMB  15-3:1003    11 LYS  HN          4.50    (#   1003:15  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 106, 107, 106, 107,
 &end
#
#    0 AMB  15-3:1004    11 LYS  HN          5.50    (#   1004:15  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 133, 134, 133, 134,
 &end
#
#    0 AMB  15-3:1006     5 VAL  HN          4.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 242, 243,  97,  98, 100, 101,
 &end
#
#   13 ILE  HA            5 VAL  HN          5.50    (#   1007:15  Preassigned    4.78, 4.81 A)
 &rst
  ixpk= 1007, nxpk= 15, iat= 207,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HE2           5 VAL  HN          7.00    (#   1008:15  Unique         6.99, 7.05 A)
 &rst
  ixpk= 1008, nxpk= 15, iat=  71,  77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 THR  HN            5 VAL  HN          5.50    (#   1009:15  Unique         4.49, 4.51 A)
 &rst
  ixpk= 1009, nxpk= 15, iat= 224,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HG1-         30 ILE  HN          7.00    (#   1010:15  Preassigned    7.25, 7.53 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 215, 216,
 &end
#
#   31 GLN  HB+          30 ILE  HN          4.50    (#   1011:15  Preassigned    4.86, 4.98 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 495, 496,
 &end
#
#   26 VAL  HA           30 ILE  HN          5.50    (#   1012:15  Preassigned    4.48, 4.53 A)
 &rst
  ixpk= 1012, nxpk= 15, iat= 404, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 GLN  HA           30 ILE  HN          5.50    (#   1013:15  Preassigned    5.24, 5.27 A)
 &rst
  ixpk= 1013, nxpk= 15, iat= 493, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 GLN  HE2+         30 ILE  HN          4.50    (#   1014:15  Preassigned    3.53, 4.32 A)
 &rst
  ixpk= 1014, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   34 GLU  HN           30 ILE  HN          7.00    (#   1015:15  Preassigned    5.78, 5.79 A)
 &rst
  ixpk= 1015, nxpk= 15, iat= 542, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 THR  HN           23 ILE  HN          4.50    (#   1016:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 1016, nxpk= 15, iat= 872, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ARG  HN           23 ILE  HN          4.50    (#   1017:15  Preassigned    3.65, 3.84 A)
 &rst
  ixpk= 1017, nxpk= 15, iat= 848, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1018    23 ILE  HN          4.50    (#   1018:15  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 340, 388,
 &end
#
#   23 ILE  HB           23 ILE  HN          3.50    (#   1019:15  Preassigned    2.68, 2.71 A)
 &rst
  ixpk= 1019, nxpk= 15, iat= 358, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ASN  HD2+         25 ASN  HN          5.50    (#   1020:15  Preassigned    2.53, 3.42 A)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 397, 398,
 &end
#
#   26 VAL  HA           25 ASN  HN          5.50    (#   1022:15  Preassigned    5.25, 5.28 A)
 &rst
  ixpk= 1022, nxpk= 15, iat= 404, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1023    25 ASN  HN          4.50    (#   1023:15  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 332, 333, 833, 834, 358,
 &end
#
#   65 SER  HN           63 LYS  HN          5.50    (#   1024:15  Preassigned    4.81, 4.88 A)
 &rst
  ixpk= 1024, nxpk= 15, iat=1036, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ILE  HA           63 LYS  HN          7.00    (#   1026:15  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 1026, nxpk= 15, iat= 965, 999, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1027    63 LYS  HN          4.50    (#   1027:15  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1012,1013,1012,1013,
 &end
#
#    3 ILE  QG2          63 LYS  HN          5.50    (#   1028:15  Preassigned    4.22, 4.67 A)
 &rst
  ixpk= 1028, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  44,  45,  46,
 &end
#
#   61 ILE  QG2          63 LYS  HN          5.50    (#   1029:15  Preassigned    3.12, 3.96 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 969, 970, 971,
 &end
#
#   29 LYS  HE-          29 LYS  HN          4.50    (#   1030:15  Preassigned    4.04, 4.70 A)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 463, 464,
 &end
#
#    0 AMB  15-3:1031    29 LYS  HN          4.50    (#   1031:15  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464, 392, 393,
 &end
#
#   41 GLN  HE2-         36 ILE  HN          4.50    (#   1032:15  Preassigned    4.25, 4.89 A)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#   33 LYS  HN           36 ILE  HN          5.50    (#   1033:15  Preassigned    5.04, 5.06 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 520, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 PRO  HD-          36 ILE  HN          4.50    (#   1034:15  Preassigned    4.74, 4.80 A)
 &rst
  ixpk= 1034, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 584, 585,
 &end
#
#   31 GLN  HB+          36 ILE  HN          4.50    (#   1035:15  Preassigned    4.08, 4.51 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 495, 496,
 &end
#
#    7 THR  QG2          36 ILE  HN          7.00    (#   1036:15  Unique         7.08, 7.81 A)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 121, 122, 123,
 &end
#
#   30 ILE  QD1          32 ASP  HN          5.50    (#   1037:15  Unique         5.66, 6.24 A)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 485, 486, 487,
 &end
#
#   30 ILE  HA           32 ASP  HN          4.50    (#   1038:15  Preassigned    4.12, 4.15 A)
 &rst
  ixpk= 1038, nxpk= 15, iat= 474, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ILE  HN           32 ASP  HN          5.50    (#   1039:15  Preassigned    5.23, 5.27 A)
 &rst
  ixpk= 1039, nxpk= 15, iat= 564, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 GLN  HE2-         32 ASP  HN          5.50    (#   1040:15  Preassigned    4.75, 5.61 A)
 &rst
  ixpk= 1040, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   10 GLY  HN            8 LEU  HN          5.50    (#   1041:15  Preassigned    4.22, 4.37 A)
 &rst
  ixpk= 1041, nxpk= 15, iat= 162, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 PHE  HD1          68 HIS  HN          4.50    (#   1042:15  Preassigned    3.87, 4.03 A)
 &rst
  ixpk= 1042, nxpk= 15, iat= 727,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  QD1          54 ARG  HN          4.50    (#   1043:15  Preassigned    4.87, 5.49 A)
 &rst
  ixpk= 1043, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 367, 368, 369,
 &end
#
#   23 ILE  QG2          54 ARG  HN          4.50    (#   1044:15  Preassigned    5.27, 5.78 A)
 &rst
  ixpk= 1044, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
#   55 THR  QG2          54 ARG  HN          5.50    (#   1045:15  Preassigned    5.22, 6.39 A)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 878, 879, 880,
 &end
#
#   52 ASP  HN           54 ARG  HN          4.50    (#   1046:15  Preassigned    4.23, 4.25 A)
 &rst
  ixpk= 1046, nxpk= 15, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 VAL  QG+          18 GLU  HN          5.50    (#   1047:15  Preassigned    4.87, 6.75 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#   19 PRO  HD-          18 GLU  HN          4.50    (#   1048:15  Preassigned    4.82, 4.89 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 304, 305,
 &end
#
#   19 PRO  HD+          18 GLU  HN          5.50    (#   1049:15  Preassigned    4.82, 4.89 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 304, 305,
 &end
#
#   20 SER  HN           18 GLU  HN          5.50    (#   1050:15  Preassigned    4.57, 4.65 A)
 &rst
  ixpk= 1050, nxpk= 15, iat= 317, 288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HN           61 ILE  HN          5.50    (#   1051:15  Preassigned    4.45, 4.67 A)
 &rst
  ixpk= 1051, nxpk= 15, iat= 905, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HN           61 ILE  HN          5.50    (#   1052:15  Preassigned    4.60, 4.70 A)
 &rst
  ixpk= 1052, nxpk= 15, iat= 916, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 TYR  HA           61 ILE  HN          5.50    (#   1053:15  Preassigned    4.13, 4.47 A)
 &rst
  ixpk= 1053, nxpk= 15, iat= 930, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HB-          61 ILE  HN          5.50    (#   1054:15  Preassigned    4.76, 5.40 A)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 909, 910,
 &end
#
#   56 LEU  HB+          61 ILE  HN          5.50    (#   1055:15  Preassigned    4.21, 4.80 A)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 890, 891,
 &end
#
#   50 LEU  QD+          68 HIS  HN          5.50    (#   1056:15  Unique         4.09, 5.77 A)
 &rst
  ixpk= 1056, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   45 PHE  HB+          68 HIS  HN          4.50    (#   1057:15  Preassigned    4.17, 4.98 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#   69 LEU  HN           68 HIS  HN          4.50    (#   1058:15  Preassigned    4.27, 4.33 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=1097,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HN           68 HIS  HN          4.50    (#   1059:15  Preassigned    4.52, 4.55 A)
 &rst
  ixpk= 1059, nxpk= 15, iat=1061,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 SER  HN            4 PHE  HN          5.50    (#   1060:15  Preassigned    3.10, 3.15 A)
 &rst
  ixpk= 1060, nxpk= 15, iat=1036,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1061     4 PHE  HN          5.50    (#   1061:15  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  28,  29,1028,1029,
 &end
#
#   21 ASP  HB+          56 LEU  HN          5.50    (#   1062:15  Preassigned    4.22, 4.84 A)
 &rst
  ixpk= 1062, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#    0 AMB  15-3:1063    56 LEU  HN          4.50    (#   1063:15  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 909, 910, 321, 322,
 &end
#
#   58 ASP  HN           56 LEU  HN          4.50    (#   1064:15  Preassigned    3.96, 3.98 A)
 &rst
  ixpk= 1064, nxpk= 15, iat= 916, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HN           56 LEU  HN          4.50    (#   1065:15  Preassigned    3.77, 3.83 A)
 &rst
  ixpk= 1065, nxpk= 15, iat= 328, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HN           56 LEU  HN          5.50    (#   1066:15  Preassigned    4.47, 4.47 A)
 &rst
  ixpk= 1066, nxpk= 15, iat= 872, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 PRO  HB+          41 GLN  HN          4.50    (#   1067:15  Preassigned    4.83, 5.05 A)
 &rst
  ixpk= 1067, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 604, 605,
 &end
#
#   41 GLN  HE2+         41 GLN  HN          4.50    (#   1069:15  Preassigned    4.61, 5.33 A)
 &rst
  ixpk= 1069, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 652, 653,
 &end
#
#    1 MET  HG+          17 VAL  HN          4.50    (#   1070:15  Preassigned    3.05, 3.61 A)
 &rst
  ixpk= 1070, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#   37 PRO  HA           40 GLN  HN          5.50    (#   1071:15  Preassigned    4.74, 4.75 A)
 &rst
  ixpk= 1071, nxpk= 15, iat= 593, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1072    40 GLN  HN          5.50    (#   1072:15  Single Ambig)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 598, 599, 598, 599,
 &end
#
#   37 PRO  HD-          40 GLN  HN          5.50    (#   1073:15  Preassigned    4.65, 5.19 A)
 &rst
  ixpk= 1073, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#    0 AMB  15-3:1074    40 GLN  HN          5.50    (#   1074:15  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 422, 423, 568,
 &end
#
#   60 ASN  HD2-         60 ASN  HN          5.50    (#   1075:15  Preassigned    2.77, 3.82 A)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 958, 959,
 &end
#
#   58 ASP  HB+          60 ASN  HN          5.50    (#   1076:15  Preassigned    5.13, 5.41 A)
 &rst
  ixpk= 1076, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#    0 AMB  15-3:1077    60 ASN  HN          5.50    (#   1077:15  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990, 920, 921,
 &end
#
#   54 ARG  HB-          60 ASN  HN          7.00    (#   1078:15  Preassigned    7.27, 7.98 A)
 &rst
  ixpk= 1078, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 852, 853,
 &end
#
#   61 ILE  HB           60 ASN  HN          4.50    (#   1079:15  Preassigned    4.71, 4.76 A)
 &rst
  ixpk= 1079, nxpk= 15, iat= 967, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ILE  HG1+         60 ASN  HN          4.50    (#   1080:15  Preassigned    4.25, 5.20 A)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 973, 974,
 &end
#
#   30 ILE  HN           33 LYS  HN          5.50    (#   1082:15  Preassigned    4.79, 4.79 A)
 &rst
  ixpk= 1082, nxpk= 15, iat= 472, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1083    33 LYS  HN          5.50    (#   1083:15  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 533, 534, 533, 534,
 &end
#
#   31 GLN  HB+          33 LYS  HN          5.50    (#   1084:15  Preassigned    4.81, 5.17 A)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#    0 AMB  15-3:1085    33 LYS  HN          5.50    (#   1085:15  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 215, 216, 460, 461,
 &end
#
#    0 AMB  15-3:1086    59 TYR  HN          4.50    (#   1086:15  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 &end
#
#   60 ASN  HB-          59 TYR  HN          5.50    (#   1087:15  Preassigned    4.98, 5.45 A)
 &rst
  ixpk= 1087, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 954,
 &end
#
#    0 AMB  15-3:1088    59 TYR  HN          5.50    (#   1088:15  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 953, 954, 965,
 &end
#
#   57 SER  HB-          59 TYR  HN          4.50    (#   1089:15  Preassigned    4.83, 5.00 A)
 &rst
  ixpk= 1089, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 909, 910,
 &end
#
#   55 THR  HB           59 TYR  HN          5.50    (#   1090:15  Preassigned    5.65, 5.67 A)
 &rst
  ixpk= 1090, nxpk= 15, iat= 876, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HN           59 TYR  HN          4.50    (#   1091:15  Preassigned    4.09, 4.11 A)
 &rst
  ixpk= 1091, nxpk= 15, iat= 905, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HN           59 TYR  HN          5.50    (#   1092:15  Preassigned    4.87, 4.96 A)
 &rst
  ixpk= 1092, nxpk= 15, iat= 872, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 GLU  HB-          65 SER  HN          4.50    (#   1094:15  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 1094, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1025,1026,
 &end
#
#    0 AMB  15-3:1095    65 SER  HN          4.50    (#   1095:15  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1003,1004,   8,   9,
 &end
#
#    3 ILE  HB           65 SER  HN          4.50    (#   1096:15  Preassigned    3.82, 3.88 A)
 &rst
  ixpk= 1096, nxpk= 15, iat=  42,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 GLN  HN           64 GLU  HN          5.50    (#   1098:15  Preassigned    2.83, 2.85 A)
 &rst
  ixpk= 1098, nxpk= 15, iat=  21,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HN           64 GLU  HN          5.50    (#   1099:15  Preassigned    5.46, 5.58 A)
 &rst
  ixpk= 1099, nxpk= 15, iat=  57,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HB-          64 GLU  HN          5.50    (#   1100:15  Preassigned    4.64, 5.47 A)
 &rst
  ixpk= 1100, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#    0 AMB  15-3:1101    64 GLU  HN          4.50    (#   1101:15  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  15,  16,  17,1009,1010,  25,  26,
 &end
#
#   61 ILE  QG2          64 GLU  HN          7.00    (#   1102:15  Unique         5.55, 6.28 A)
 &rst
  ixpk= 1102, nxpk= 15, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 969, 970, 971,
 &end
#
#   10 GLY  HN            7 THR  HN          4.50    (#   1103:15  Preassigned    3.91, 4.03 A)
 &rst
  ixpk= 1103, nxpk= 15, iat= 162, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 THR  HN            7 THR  HN          5.50    (#   1104:15  Preassigned    4.09, 4.37 A)
 &rst
  ixpk= 1104, nxpk= 15, iat= 148, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1105     7 THR  HN          5.50    (#   1105:15  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 106, 107, 106, 107,
 &end
#
#   11 LYS  HB-           7 THR  HN          4.50    (#   1106:15  Preassigned    3.45, 4.40 A)
 &rst
  ixpk= 1106, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  15-3:1107     3 ILE  HN          4.50    (#   1107:15  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 264, 265,   8,   9,   8,   9,
 &end
#
#   64 GLU  HA            3 ILE  HN          7.00    (#   1108:15  Preassigned    5.23, 5.29 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=1023,  38, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HA            3 ILE  HN          5.50    (#   1109:15  Preassigned    4.74, 4.78 A)
 &rst
  ixpk= 1109, nxpk= 15, iat=  59,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HN            3 ILE  HN          4.50    (#   1110:15  Preassigned    4.38, 4.41 A)
 &rst
  ixpk= 1110, nxpk= 15, iat=  57,  38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ILE  HN            7 THR  HN          4.50    (#   1111:15  Preassigned    3.90, 4.05 A)
 &rst
  ixpk= 1111, nxpk= 15, iat= 205, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 ASP  HB-          34 GLU  HN          5.50    (#   1112:15  Preassigned    5.23, 5.34 A)
 &rst
  ixpk= 1112, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:1113    34 GLU  HN          5.50    (#   1113:15  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 574, 575, 215, 216,
 &end
#
#   27 LYS  HB+          39 ASP  HN          5.50    (#   1114:15  Preassigned    5.68, 6.18 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 422, 423,
 &end
#
#   36 ILE  QG2          39 ASP  HN          5.50    (#   1115:15  Preassigned    5.93, 6.90 A)
 &rst
  ixpk= 1115, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 570, 571, 572,
 &end
#
#    0 AMB  15-3:1121     6 LYS  HN          4.50    (#   1121:15  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 197, 198, 199,1101,1102,
 &end
#
#   68 HIS  HB-           6 LYS  HN          5.50    (#   1122:15  Preassigned    5.48, 5.89 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1084,1085,
 &end
#
#    4 PHE  HB-           6 LYS  HN          5.50    (#   1123:15  Preassigned    4.45, 4.72 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    5 VAL  HB           67 LEU  HN          5.50    (#   1124:15  Preassigned    5.15, 5.28 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  81,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 LYS  HG+           6 LYS  HN          4.50    (#   1125:15  Preassigned    4.13, 4.39 A)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 100, 101,
 &end
#
#    0 AMB  15-3:1126     6 LYS  HN          5.50    (#   1126:15  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1068,  42, 704,
 &end
#
#   44 ILE  HB           50 LEU  HN          7.00    (#   1127:15  Preassigned    5.51, 5.63 A)
 &rst
  ixpk= 1127, nxpk= 15, iat= 704, 795, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1129    15 LEU  HN          5.50    (#   1129:15  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  69,
 &end
#
#    0 AMB  15-3:1130    15 LEU  HN          4.50    (#   1130:15  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,  44,  45,  46,
 &end
#
#   44 ILE  HG1+         45 PHE  HN          4.50    (#   1131:15  Preassigned    3.62, 4.42 A)
 &rst
  ixpk= 1131, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 710, 711,
 &end
#
#   70 VAL  QG+          45 PHE  HN          7.00    (#   1132:15  Unique         5.90, 7.90 A)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#   55 THR  HB           21 ASP  HN          4.50    (#   1133:15  Preassigned    3.92, 4.00 A)
 &rst
  ixpk= 1133, nxpk= 15, iat= 876, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HA           21 ASP  HN          5.50    (#   1134:15  Preassigned    5.15, 5.20 A)
 &rst
  ixpk= 1134, nxpk= 15, iat= 874, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 PRO  HD+          21 ASP  HN          4.50    (#   1135:15  Preassigned    4.63, 5.06 A)
 &rst
  ixpk= 1135, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 304, 305,
 &end
#
#   56 LEU  HG           21 ASP  HN          4.50    (#   1136:15  Preassigned    3.40, 3.55 A)
 &rst
  ixpk= 1136, nxpk= 15, iat= 893, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  QG2          21 ASP  HN          4.50    (#   1137:15  Preassigned    4.07, 5.14 A)
 &rst
  ixpk= 1137, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 878, 879, 880,
 &end
#
#   56 LEU  HB-          21 ASP  HN          4.50    (#   1138:15  Preassigned    3.61, 4.47 A)
 &rst
  ixpk= 1138, nxpk= 15, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 890, 891,
 &end
#
#   31 GLN  HE2+         31 GLN  HN          5.50    (#   1139:15  Preassigned    5.87, 6.24 A)
 &rst
  ixpk= 1139, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   36 ILE  HN           31 GLN  HN          4.50    (#   1140:15  Preassigned    4.72, 4.73 A)
 &rst
  ixpk= 1140, nxpk= 15, iat= 564, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HA           51 GLU  HN          7.00    (#   1141:15  Preassigned    6.33, 6.42 A)
 &rst
  ixpk= 1141, nxpk= 15, iat= 780, 814, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   54 ARG  HG+          51 GLU  HN          4.50    (#   1142:15  Preassigned    3.19, 3.93 A)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 855, 856,
 &end
#
#    0 AMB  15-3:1143     0 AMB  15-1:1143   5.50    (#   1143:15  Double Ambig)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 115, 872,
 igr2=1097, 814,
 &end
#
#    0 AMB  15-3:1144    69 LEU  HN          5.50    (#   1144:15  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 704,1068,
 &end
#
#    7 THR  QG2          69 LEU  HN          4.50    (#   1145:15  Preassigned    3.81, 4.71 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 121, 122, 123,
 &end
#
#    0 AMB  15-3:1146    14 THR  HN          4.50    (#   1146:15  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531, 530, 531,
 &end
#
#   50 LEU  HN           44 ILE  HN          5.50    (#   1147:15  Preassigned    4.43, 4.54 A)
 &rst
  ixpk= 1147, nxpk= 15, iat= 795, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1148    74 ARG  HN          5.50    (#   1148:15  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 667, 668, 667, 668,
 &end
#
#   16 GLU  HA           16 GLU  HN          3.50    (#   1151:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 1151, nxpk= 15, iat= 259, 257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HA           26 VAL  HN          5.50    (#   1152:15  Preassigned    4.46, 4.48 A)
 &rst
  ixpk= 1152, nxpk= 15, iat= 375, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  QG+          42 ARG  HN          5.50    (#   1154:15  Preassigned    2.63, 5.01 A)
 &rst
  ixpk= 1154, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  15-3:1155     0 AMB  15-1:1155   2.80    (#   1155:15  Double Ambig)
 &rst
  ixpk= 1155, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 408, 409, 410, 412, 413, 414, 247, 248, 249, 251,
       252, 253,
 igr2= 402, 257,
 &end
#
#    0 AMB  15-3:1156    42 ARG  HN          3.50    (#   1156:15  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 664, 665, 664, 665,
 &end
#
#    0 AMB  15-3:1157     0 AMB  15-1:1157   4.50    (#   1157:15  Double Ambig)
 &rst
  ixpk= 1157, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,  51,
        52,  53,
 igr2= 402, 257,
 &end
#
#   12 THR  HA           11 LYS  HN          5.50    (#   1158:15  Preassigned    4.93, 5.11 A)
 &rst
  ixpk= 1158, nxpk= 15, iat= 193, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  QG2          11 LYS  HN          5.50    (#   1159:15  Preassigned    6.13, 7.18 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  15-3:1160     5 VAL  HN          4.50    (#   1160:15  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1065,1066, 179, 180, 179, 180,
 &end
#
#    0 AMB  15-3:1161     5 VAL  HN          4.50    (#   1161:15  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1065,1066, 530, 531, 530, 531,
 &end
#
#    0 AMB  15-3:1162    23 ILE  HN          4.50    (#   1162:15  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 330,
 &end
#
#    0 AMB  15-3:1163     0 AMB  15-1:1163   4.50    (#   1163:15  Double Ambig)
 &rst
  ixpk= 1163, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 659, 876,
 igr2=1151, 354,
 &end
#
#   23 ILE  HG1+         23 ILE  HN          2.80    (#   1164:15  Preassigned    2.13, 2.95 A)
 &rst
  ixpk= 1164, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 364, 365,
 &end
#
#    0 AMB  15-3:1165    23 ILE  HN          4.50    (#   1165:15  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 852, 853, 377, 378, 377, 378,
 &end
#
#   55 THR  QG2          23 ILE  HN          4.50    (#   1166:15  Preassigned    3.78, 4.68 A)
 &rst
  ixpk= 1166, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 878, 879, 880,
 &end
#
#    0 AMB  15-3:1167     0 AMB  15-1:1167   5.50    (#   1167:15  Double Ambig)
 &rst
  ixpk= 1167, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1122,1123,1124,1126,1127,1128, 408, 409, 410, 412,
       413, 414,1184,1185,1186,1188,1189,1190,
 igr2=1151, 354,
 &end
#
#    6 LYS  HA           12 THR  HN          4.50    (#   1168:15  Preassigned    4.28, 4.32 A)
 &rst
  ixpk= 1168, nxpk= 15, iat=  95, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HA           25 ASN  HN          7.00    (#   1169:15  Preassigned    5.69, 5.81 A)
 &rst
  ixpk= 1169, nxpk= 15, iat= 330, 388, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   52 ASP  HA           25 ASN  HN          5.50    (#   1170:15  Preassigned    4.84, 4.89 A)
 &rst
  ixpk= 1170, nxpk= 15, iat= 831, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  HA           25 ASN  HN          5.50    (#   1171:15  Preassigned    4.51, 4.55 A)
 &rst
  ixpk= 1171, nxpk= 15, iat= 356, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1172    25 ASN  HN          4.50    (#   1172:15  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 425, 426, 444, 445, 446, 428, 429,
 &end
#
#   23 ILE  QG2          25 ASN  HN          5.50    (#   1173:15  Preassigned    5.63, 6.41 A)
 &rst
  ixpk= 1173, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 360, 361, 362,
 &end
#
#   23 ILE  QD1          25 ASN  HN          5.50    (#   1174:15  Preassigned    6.09, 6.78 A)
 &rst
  ixpk= 1174, nxpk= 15, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 367, 368, 369,
 &end
#
#    0 AMB  15-3:1176    12 THR  HN          4.50    (#   1176:15  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180, 179, 180,
 &end
#
#   13 ILE  QG2          12 THR  HN          5.50    (#   1177:15  Preassigned    4.89, 5.96 A)
 &rst
  ixpk= 1177, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
#   49 GLN  HN           48 LYS  HN          4.50    (#   1179:15  Preassigned    4.19, 4.34 A)
 &rst
  ixpk= 1179, nxpk= 15, iat= 778, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 PHE  HA           48 LYS  HN          5.50    (#   1180:15  Preassigned    4.22, 4.26 A)
 &rst
  ixpk= 1180, nxpk= 15, iat= 721, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 GLN  HB+          48 LYS  HN          7.00    (#   1181:15  Preassigned    5.98, 6.55 A)
 &rst
  ixpk= 1181, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 782, 783,
 &end
#
#   44 ILE  HG1+         48 LYS  HN          5.50    (#   1182:15  Preassigned    4.71, 5.97 A)
 &rst
  ixpk= 1182, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 710, 711,
 &end
#
#    0 AMB  15-3:1183    29 LYS  HN          4.50    (#   1183:15  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 508, 402,
 &end
#
#   47 GLY  HA-          48 LYS  HN          3.50    (#   1184:15  Preassigned    3.18, 3.28 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   25 ASN  HA           29 LYS  HN          4.50    (#   1185:15  Preassigned    4.60, 4.64 A)
 &rst
  ixpk= 1185, nxpk= 15, iat= 390, 450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ALA  HA           48 LYS  HN          4.50    (#   1186:15  Preassigned    4.08, 4.13 A)
 &rst
  ixpk= 1186, nxpk= 15, iat= 741, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HA           29 LYS  HN          5.50    (#   1187:15  Preassigned    5.33, 5.35 A)
 &rst
  ixpk= 1187, nxpk= 15, iat= 474, 450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1188    48 LYS  HN          4.50    (#   1188:15  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 769, 770, 769, 770,
 &end
#
#   47 GLY  HA+          48 LYS  HN          3.50    (#   1189:15  Preassigned    3.18, 3.28 A)
 &rst
  ixpk= 1189, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   31 GLN  HB+          29 LYS  HN          5.50    (#   1190:15  Unique         5.19, 5.56 A)
 &rst
  ixpk= 1190, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#   30 ILE  QD1          29 LYS  HN          4.50    (#   1191:15  Preassigned    3.91, 5.00 A)
 &rst
  ixpk= 1191, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 485, 486, 487,
 &end
#
#    0 AMB  15-3:1192    41 GLN  HN          3.50    (#   1192:15  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 644, 645, 644, 645,
 &end
#
#    0 AMB  15-3:1193    41 GLN  HN          4.50    (#   1193:15  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 425, 426, 422, 423,
 &end
#
#   36 ILE  QG2          41 GLN  HN          4.50    (#   1194:15  Preassigned    4.15, 4.79 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 570, 571, 572,
 &end
#
#   39 ASP  HB+          40 GLN  HN          4.50    (#   1196:15  Preassigned    3.09, 3.68 A)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 615, 616,
 &end
#
#   38 PRO  HB+          40 GLN  HN          4.50    (#   1197:15  Preassigned    4.89, 5.20 A)
 &rst
  ixpk= 1197, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 604, 605,
 &end
#
#   56 LEU  HA           60 ASN  HN          5.50    (#   1198:15  Preassigned    5.67, 5.70 A)
 &rst
  ixpk= 1198, nxpk= 15, iat= 888, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ARG  HB-          59 TYR  HN          5.50    (#   1199:15  Preassigned    5.24, 5.97 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 852, 853,
 &end
#
#    0 AMB  15-3:1200    33 LYS  HN          4.50    (#   1200:15  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 550, 454, 455,
 &end
#
#    0 AMB  15-3:1201    33 LYS  HN          3.50    (#   1201:15  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547, 530, 531, 530, 531,
 &end
#
#    4 PHE  HD1          64 GLU  HN          7.00    (#   1202:15  Preassigned    6.59, 6.63 A)
 &rst
  ixpk= 1202, nxpk= 15, iat=  65,1021, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HN           65 SER  HN          4.50    (#   1203:15  Preassigned    3.10, 3.15 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=  57,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 LYS  HN           65 SER  HN          5.50    (#   1204:15  Preassigned    4.81, 4.88 A)
 &rst
  ixpk= 1204, nxpk= 15, iat= 999,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LEU  HA            3 ILE  HN          4.50    (#   1205:15  Preassigned    4.48, 4.50 A)
 &rst
  ixpk= 1205, nxpk= 15, iat= 240,  38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 THR  QG2           7 THR  HN          7.00    (#   1206:15  Preassigned    6.93, 7.56 A)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:1207    57 SER  HN          7.00    (#   1207:15  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 330, 930, 850,
 &end
#
#   61 ILE  HB           57 SER  HN          4.50    (#   1208:15  Preassigned    3.90, 4.00 A)
 &rst
  ixpk= 1208, nxpk= 15, iat= 967, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1210     3 ILE  HN          7.00    (#   1210:15  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 15, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1021,  77,
 &end
#
#   61 ILE  QG2           4 PHE  HN          5.50    (#   1211:15  Unique         5.62, 6.31 A)
 &rst
  ixpk= 1211, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 969, 970, 971,
 &end
#
#    0 AMB  15-3:1212     4 PHE  HN          7.00    (#   1212:15  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  97,  98, 242, 243,
 &end
#
#   66 THR  HB            4 PHE  HN          5.50    (#   1213:15  Preassigned    5.61, 5.69 A)
 &rst
  ixpk= 1213, nxpk= 15, iat=1051,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 VAL  HA            4 PHE  HN          5.50    (#   1214:15  Preassigned    4.91, 4.96 A)
 &rst
  ixpk= 1214, nxpk= 15, iat=  79,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA            4 PHE  HN          7.00    (#   1215:15  Preassigned    4.37, 4.41 A)
 &rst
  ixpk= 1215, nxpk= 15, iat= 226,  57, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   65 SER  HB-           4 PHE  HN          5.50    (#   1216:15  Preassigned    3.86, 4.37 A)
 &rst
  ixpk= 1216, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1040,1041,
 &end
#
#    4 PHE  HN            5 VAL  HN          4.50    (#   1217:15  Preassigned    4.13, 4.14 A)
 &rst
  ixpk= 1217, nxpk= 15, iat=  57,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 LEU  HN            5 VAL  HN          4.50    (#   1218:15  Unique         3.85, 3.90 A)
 &rst
  ixpk= 1218, nxpk= 15, iat= 238,  77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HD2           6 LYS  HN          7.00    (#   1219:15  Preassigned    5.97, 6.80 A)
 &rst
  ixpk= 1219, nxpk= 15, iat=1093,  93, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HA            6 LYS  HN          5.50    (#   1220:15  Preassigned    5.06, 5.10 A)
 &rst
  ixpk= 1220, nxpk= 15, iat=  59,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 GLY  HA+           7 THR  HN          5.50    (#   1221:15  Preassigned    4.96, 5.66 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 164, 165,
 &end
#
#   13 ILE  HA            7 THR  HN          7.00    (#   1222:15  Preassigned    6.47, 6.62 A)
 &rst
  ixpk= 1222, nxpk= 15, iat= 207, 115, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 LEU  HN            7 THR  HN          5.50    (#   1223:15  Preassigned    4.16, 4.30 A)
 &rst
  ixpk= 1223, nxpk= 15, iat=1097, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LYS  HB-           8 LEU  HN          7.00    (#   1224:15  Preassigned    6.09, 7.22 A)
 &rst
  ixpk= 1224, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 173, 174,
 &end
#
#   69 LEU  HN            8 LEU  HN          4.50    (#   1225:15  Preassigned    3.67, 3.90 A)
 &rst
  ixpk= 1225, nxpk= 15, iat=1097, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1226     9 THR  HN          5.50    (#   1226:15  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 179, 180, 179, 180,  97,  98, 103, 104,
 &end
#
#   10 GLY  HA-           9 THR  HN          4.50    (#   1227:15  Preassigned    4.36, 4.79 A)
 &rst
  ixpk= 1227, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 164, 165,
 &end
#
#    9 THR  HB            9 THR  HN          3.50    (#   1228:15  Preassigned    2.33, 2.39 A)
 &rst
  ixpk= 1228, nxpk= 15, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LYS  HB+          10 GLY  HN          4.50    (#   1231:15  Preassigned    4.02, 4.79 A)
 &rst
  ixpk= 1231, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  15-3:1232    10 GLY  HN          4.50    (#   1232:15  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 103, 104, 103, 104, 179, 180, 179, 180,  97,  98,
      
 &end
#
#    6 LYS  HG-          10 GLY  HN          5.50    (#   1233:15  Preassigned    3.66, 4.54 A)
 &rst
  ixpk= 1233, nxpk= 15, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 100, 101,
 &end
#
#   16 GLU  HN            3 ILE  HN          5.50    (#   1234:15  Preassigned    4.75, 4.77 A)
 &rst
  ixpk= 1234, nxpk= 15, iat= 257,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ILE  HA            5 VAL  HN          5.50    (#   1235:15  Preassigned    5.44, 5.51 A)
 &rst
  ixpk= 1235, nxpk= 15, iat=  40,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1236     7 THR  HN          5.50    (#   1236:15  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=  81, 133, 134, 133, 134,
 &end
#
#   11 LYS  HN            8 LEU  HN          5.50    (#   1237:15  Preassigned    5.26, 5.32 A)
 &rst
  ixpk= 1237, nxpk= 15, iat= 169, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HG            9 THR  HN          5.50    (#   1239:15  Preassigned    4.94, 5.10 A)
 &rst
  ixpk= 1239, nxpk= 15, iat= 136, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HN           11 LYS  HN          5.50    (#   1240:15  Preassigned    5.26, 5.32 A)
 &rst
  ixpk= 1240, nxpk= 15, iat= 129, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1241    12 THR  HN          5.50    (#   1241:15  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183, 182, 183,
 &end
#
#   13 ILE  HN           12 THR  HN          4.50    (#   1242:15  Preassigned    4.00, 4.07 A)
 &rst
  ixpk= 1242, nxpk= 15, iat= 205, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1243    13 ILE  HN          4.50    (#   1243:15  Single Ambig)
 &rst
  ixpk= 1243, nxpk= 15, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180, 179, 180,
 &end
#
#    0 AMB  15-3:1244    14 THR  HN          4.50    (#   1244:15  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 15, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 533, 534, 533, 534,
 &end
#
#    4 PHE  HA           14 THR  HN          5.50    (#   1245:15  Preassigned    4.03, 4.10 A)
 &rst
  ixpk= 1245, nxpk= 15, iat=  59, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 PHE  HD2          14 THR  HN          5.50    (#   1246:15  Preassigned    4.41, 4.49 A)
 &rst
  ixpk= 1246, nxpk= 15, iat=  73, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ILE  HA           15 LEU  HN          7.00    (#   1247:15  Preassigned    5.88, 5.92 A)
 &rst
  ixpk= 1247, nxpk= 15, iat= 207, 238, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 PHE  HB+          15 LEU  HN          5.50    (#   1248:15  Preassigned    5.92, 6.26 A)
 &rst
  ixpk= 1248, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    3 ILE  HG1-         15 LEU  HN          4.50    (#   1249:15  Preassigned    2.94, 3.86 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  48,  49,
 &end
#
#   18 GLU  HN           17 VAL  HN          4.50    (#   1250:15  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 1250, nxpk= 15, iat= 288, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HA           17 VAL  HN          5.50    (#   1251:15  Preassigned    4.83, 4.92 A)
 &rst
  ixpk= 1251, nxpk= 15, iat=   6, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1252    17 VAL  HN          5.50    (#   1252:15  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 245, 242, 243,
 &end
#
#   15 LEU  HB+          17 VAL  HN          5.50    (#   1253:15  Preassigned    5.71, 6.32 A)
 &rst
  ixpk= 1253, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 243,
 &end
#
#    3 ILE  HG1+         17 VAL  HN          5.50    (#   1254:15  Preassigned    3.94, 4.18 A)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  48,  49,
 &end
#
#    0 AMB  15-3:1255    18 GLU  HN          5.50    (#   1255:15  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,  44,  45,  46,
 &end
#
#    0 AMB  15-3:1256    18 GLU  HN          5.50    (#   1256:15  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 460, 461, 245,
 &end
#
#    0 AMB  15-3:1257    18 GLU  HN          5.50    (#   1257:15  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 893, 457, 458,
 &end
#
#    1 MET  HG-          18 GLU  HN          5.50    (#   1258:15  Unique         4.50, 5.34 A)
 &rst
  ixpk= 1258, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  11,  12,
 &end
#
#   29 LYS  HE+          18 GLU  HN          5.50    (#   1259:15  Preassigned    5.51, 6.31 A)
 &rst
  ixpk= 1259, nxpk= 15, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 463, 464,
 &end
#
#   17 VAL  HN           18 GLU  HN          4.50    (#   1260:15  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 1260, nxpk= 15, iat= 272, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HB-          20 SER  HN          4.50    (#   1261:15  Preassigned    3.83, 4.74 A)
 &rst
  ixpk= 1261, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
#   18 GLU  HG-          20 SER  HN          4.50    (#   1262:15  Unique         2.76, 4.10 A)
 &rst
  ixpk= 1262, nxpk= 15, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 295, 296,
 &end
#
#   56 LEU  HG           20 SER  HN          5.50    (#   1263:15  Preassigned    5.04, 5.18 A)
 &rst
  ixpk= 1263, nxpk= 15, iat= 893, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 THR  HN           21 ASP  HN          4.50    (#   1264:15  Preassigned    4.55, 4.57 A)
 &rst
  ixpk= 1264, nxpk= 15, iat= 340, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LEU  HB-          72 ARG  HN          3.50    (#   1265:15  Preassigned    3.65, 4.16 A)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1136,1137,
 &end
#
#    0 AMB  15-3:1266    23 ILE  HN          4.50    (#   1266:15  Single Ambig)
 &rst
  ixpk= 1266, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 406, 821, 822, 920, 921, 380, 381,
 &end
#
#    0 AMB  15-3:1267    72 ARG  HN          4.50    (#   1267:15  Single Ambig)
 &rst
  ixpk= 1267, nxpk= 15, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 630, 631, 630, 631,
 &end
#
#   41 GLN  HA           72 ARG  HN          5.50    (#   1268:15  Unique         2.00, 2.10 A)
 &rst
  ixpk= 1268, nxpk= 15, iat= 642,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1269    23 ILE  HN          5.50    (#   1269:15  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 15, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 938, 397, 398,
 &end
#
#   69 LEU  HA           42 ARG  HN          7.00    (#   1270:15  Preassigned    5.79, 5.91 A)
 &rst
  ixpk= 1270, nxpk= 15, iat=1099, 657, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 ILE  HN           27 LYS  HN          5.50    (#   1271:15  Preassigned    4.91, 4.92 A)
 &rst
  ixpk= 1271, nxpk= 15, iat= 472, 418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1272    27 LYS  HN          5.50    (#   1272:15  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 442, 607, 452,
 &end
#
#   25 ASN  HB+          27 LYS  HN          5.50    (#   1273:15  Preassigned    5.51, 5.84 A)
 &rst
  ixpk= 1273, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   25 ASN  HB-          27 LYS  HN          5.50    (#   1274:15  Preassigned    5.51, 5.84 A)
 &rst
  ixpk= 1274, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 392, 393,
 &end
#
#   43 LEU  HB+          27 LYS  HN          5.50    (#   1275:15  Preassigned    5.64, 6.35 A)
 &rst
  ixpk= 1275, nxpk= 15, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 685, 686,
 &end
#
#   41 GLN  HE2+         28 ALA  HN          5.50    (#   1276:15  Preassigned    4.51, 5.15 A)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   41 GLN  HE2-         28 ALA  HN          5.50    (#   1277:15  Preassigned    4.51, 5.15 A)
 &rst
  ixpk= 1277, nxpk= 15, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#   32 ASP  HB-          29 LYS  HN          5.50    (#   1278:15  Preassigned    5.32, 6.03 A)
 &rst
  ixpk= 1278, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#    0 AMB  15-3:1279    29 LYS  HN          4.50    (#   1279:15  Single Ambig)
 &rst
  ixpk= 1279, nxpk= 15, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 512, 513, 392, 393,
 &end
#
#   32 ASP  HB-          30 ILE  HN          5.50    (#   1280:15  Preassigned    5.43, 5.97 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   32 ASP  HB+          30 ILE  HN          5.50    (#   1281:15  Preassigned    5.43, 5.97 A)
 &rst
  ixpk= 1281, nxpk= 15, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   33 LYS  HN           30 ILE  HN          5.50    (#   1282:15  Preassigned    4.79, 4.79 A)
 &rst
  ixpk= 1282, nxpk= 15, iat= 520, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1283    31 GLN  HN          4.50    (#   1283:15  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 454, 455, 549, 550,
 &end
#
#    0 AMB  15-3:1284    32 ASP  HN          7.00    (#   1284:15  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 460, 461, 422, 423,
 &end
#
#   29 LYS  HB+          32 ASP  HN          4.50    (#   1285:15  Unique         5.15, 5.27 A)
 &rst
  ixpk= 1285, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 454, 455,
 &end
#
#   32 ASP  HB-          32 ASP  HN          2.80    (#   1286:15  Preassigned    2.14, 2.68 A)
 &rst
  ixpk= 1286, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 512, 513,
 &end
#
#   31 GLN  HE2+         32 ASP  HN          5.50    (#   1287:15  Preassigned    6.21, 6.25 A)
 &rst
  ixpk= 1287, nxpk= 15, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   36 ILE  HN           33 LYS  HN          5.50    (#   1288:15  Preassigned    5.04, 5.06 A)
 &rst
  ixpk= 1288, nxpk= 15, iat= 564, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1289    34 GLU  HN          4.50    (#   1289:15  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 211, 212, 213, 485, 486, 487,
 &end
#
#   32 ASP  HB+          34 GLU  HN          5.50    (#   1290:15  Preassigned    5.23, 5.34 A)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   31 GLN  HB+          35 GLY  HN          5.50    (#   1292:15  Preassigned    4.76, 4.88 A)
 &rst
  ixpk= 1292, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 496,
 &end
#
#   34 GLU  HG-          35 GLY  HN          4.50    (#   1293:15  Preassigned    4.37, 4.81 A)
 &rst
  ixpk= 1293, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 550,
 &end
#
#   36 ILE  QG2          35 GLY  HN          5.50    (#   1294:15  Preassigned    6.48, 6.80 A)
 &rst
  ixpk= 1294, nxpk= 15, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 570, 571, 572,
 &end
#
#   32 ASP  HN           36 ILE  HN          5.50    (#   1295:15  Preassigned    5.23, 5.27 A)
 &rst
  ixpk= 1295, nxpk= 15, iat= 508, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 GLN  HE2+         39 ASP  HN          5.50    (#   1296:15  Preassigned    5.69, 6.45 A)
 &rst
  ixpk= 1296, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   37 PRO  HD-          39 ASP  HN          5.50    (#   1297:15  Preassigned    6.12, 6.28 A)
 &rst
  ixpk= 1297, nxpk= 15, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   71 LEU  QD+          40 GLN  HN          5.50    (#   1298:15  Unique         6.45, 7.58 A)
 &rst
  ixpk= 1298, nxpk= 15, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1141,1142,1143,1145,1146,1147,
 &end
#
#   41 GLN  HE2-         41 GLN  HN          5.50    (#   1299:15  Preassigned    4.61, 5.33 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 653,
 &end
#
#    0 AMB  15-3:1300    41 GLN  HN          4.50    (#   1300:15  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 15, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 630, 631, 630, 631, 590, 591,
 &end
#
#   42 ARG  HB+          42 ARG  HN          2.80    (#   1301:15  Preassigned    2.22, 2.64 A)
 &rst
  ixpk= 1301, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 661, 662,
 &end
#
#   72 ARG  HA           42 ARG  HN          5.50    (#   1302:15  Unique         3.01, 3.18 A)
 &rst
  ixpk= 1302, nxpk= 15, iat=1153, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 LEU  HN           42 ARG  HN          4.50    (#   1303:15  Preassigned    3.49, 3.71 A)
 &rst
  ixpk= 1303, nxpk= 15, iat=1132, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 GLN  HN           45 PHE  HN          4.50    (#   1304:15  Preassigned    4.16, 4.33 A)
 &rst
  ixpk= 1304, nxpk= 15, iat= 778, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1305    46 ALA  HN          4.50    (#   1305:15  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 729, 733,
 &end
#
#   44 ILE  HA           47 GLY  HN          5.50    (#   1306:15  Preassigned    5.32, 5.47 A)
 &rst
  ixpk= 1306, nxpk= 15, iat= 702, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 PHE  HB+          47 GLY  HN          5.50    (#   1310:15  Preassigned    5.43, 5.83 A)
 &rst
  ixpk= 1310, nxpk= 15, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 723, 724,
 &end
#
#   50 LEU  QD+          48 LYS  HN          5.50    (#   1312:15  Preassigned    4.67, 6.82 A)
 &rst
  ixpk= 1312, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 805, 806, 808, 809, 810,
 &end
#
#   44 ILE  QG2          48 LYS  HN          3.50    (#   1313:15  Preassigned    2.84, 3.77 A)
 &rst
  ixpk= 1313, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 706, 707, 708,
 &end
#
#   46 ALA  QB           48 LYS  HN          4.50    (#   1314:15  Preassigned    3.70, 4.38 A)
 &rst
  ixpk= 1314, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 743, 744, 745,
 &end
#
#   45 PHE  HB-          48 LYS  HN          4.50    (#   1315:15  Preassigned    4.01, 4.66 A)
 &rst
  ixpk= 1315, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 723, 724,
 &end
#
#    0 AMB  15-3:1316    48 LYS  HN          5.50    (#   1316:15  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 735, 727,
 &end
#
#   50 LEU  HA           49 GLN  HN          5.50    (#   1317:15  Preassigned    4.63, 5.19 A)
 &rst
  ixpk= 1317, nxpk= 15, iat= 797, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1318    49 GLN  HN          5.50    (#   1318:15  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 769, 770, 769, 770,
 &end
#
#   68 HIS  HN           50 LEU  HN          7.00    (#   1321:15  Preassigned    6.47, 6.64 A)
 &rst
  ixpk= 1321, nxpk= 15, iat=1080, 795, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   44 ILE  HN           50 LEU  HN          5.50    (#   1322:15  Preassigned    4.43, 4.54 A)
 &rst
  ixpk= 1322, nxpk= 15, iat= 700, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ASP  HA           51 GLU  HN          5.50    (#   1323:15  Preassigned    4.91, 5.00 A)
 &rst
  ixpk= 1323, nxpk= 15, iat= 831, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HA           69 LEU  HN          5.50    (#   1324:15  Preassigned    5.13, 5.24 A)
 &rst
  ixpk= 1324, nxpk= 15, iat= 131,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 ILE  HG1-         51 GLU  HN          4.50    (#   1325:15  Unique         2.44, 2.84 A)
 &rst
  ixpk= 1325, nxpk= 15, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365,
 &end
#
#   52 ASP  HB+          52 ASP  HN          3.50    (#   1326:15  Preassigned    2.09, 2.90 A)
 &rst
  ixpk= 1326, nxpk= 15, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 833, 834,
 &end
#
#   51 GLU  HN           52 ASP  HN          4.50    (#   1327:15  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 1327, nxpk= 15, iat= 814, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 ILE  HN           52 ASP  HN          7.00    (#   1328:15  Preassigned    5.75, 5.83 A)
 &rst
  ixpk= 1328, nxpk= 15, iat= 354, 829, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 THR  HA           54 ARG  HN          5.50    (#   1330:15  Preassigned    5.06, 5.19 A)
 &rst
  ixpk= 1330, nxpk= 15, iat= 874, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 THR  HB           54 ARG  HN          4.50    (#   1331:15  Preassigned    4.46, 4.60 A)
 &rst
  ixpk= 1331, nxpk= 15, iat= 344, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           54 ARG  HN          5.50    (#   1332:15  Preassigned    4.46, 4.49 A)
 &rst
  ixpk= 1332, nxpk= 15, iat= 816, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 TYR  HB+          55 THR  HN          5.50    (#   1333:15  Preassigned    5.92, 6.57 A)
 &rst
  ixpk= 1333, nxpk= 15, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#    0 AMB  15-3:1334    56 LEU  HN          5.50    (#   1334:15  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 928,
 &end
#
#   22 THR  HB           56 LEU  HN          7.00    (#   1335:15  Preassigned    6.24, 6.27 A)
 &rst
  ixpk= 1335, nxpk= 15, iat= 344, 886, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 ASP  HB-          56 LEU  HN          5.50    (#   1336:15  Preassigned    4.22, 4.84 A)
 &rst
  ixpk= 1336, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
#   19 PRO  HB-          56 LEU  HN          5.50    (#   1337:15  Preassigned    6.04, 6.29 A)
 &rst
  ixpk= 1337, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 310, 311,
 &end
#
#   61 ILE  HB           56 LEU  HN          5.50    (#   1338:15  Preassigned    4.85, 4.90 A)
 &rst
  ixpk= 1338, nxpk= 15, iat= 967, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  QG+          56 LEU  HN          4.50    (#   1339:15  Preassigned    4.35, 6.21 A)
 &rst
  ixpk= 1339, nxpk= 15, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 408, 409, 410, 412, 413, 414,
 &end
#
#    0 AMB  15-3:1341    57 SER  HN          4.50    (#   1341:15  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  15,  16,  17, 292, 293,
 &end
#
#   58 ASP  HB+          57 SER  HN          4.50    (#   1342:15  Preassigned    4.51, 5.02 A)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 &end
#
#   57 SER  HB+          57 SER  HN          3.50    (#   1343:15  Preassigned    2.17, 2.91 A)
 &rst
  ixpk= 1343, nxpk= 15, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 909, 910,
 &end
#
#   20 SER  HA           57 SER  HN          4.50    (#   1344:15  Preassigned    3.56, 3.64 A)
 &rst
  ixpk= 1344, nxpk= 15, iat= 319, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 THR  HN           57 SER  HN          5.50    (#   1345:15  Preassigned    5.24, 5.29 A)
 &rst
  ixpk= 1345, nxpk= 15, iat= 872, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 TYR  HE1          58 ASP  HN          5.50    (#   1346:15  Preassigned    5.33, 5.43 A)
 &rst
  ixpk= 1346, nxpk= 15, iat= 938, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 SER  HB+          58 ASP  HN          4.50    (#   1347:15  Preassigned    3.08, 3.54 A)
 &rst
  ixpk= 1347, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 909, 910,
 &end
#
#   59 TYR  HB+          58 ASP  HN          4.50    (#   1348:15  Preassigned    4.66, 5.40 A)
 &rst
  ixpk= 1348, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933,
 &end
#
#    0 AMB  15-3:1349    58 ASP  HN          5.50    (#   1349:15  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
 &end
#
#   61 ILE  QD1          58 ASP  HN          5.50    (#   1350:15  Preassigned    4.90, 6.05 A)
 &rst
  ixpk= 1350, nxpk= 15, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 976, 977, 978,
 &end
#
#   61 ILE  HB           59 TYR  HN          5.50    (#   1351:15  Preassigned    3.93, 3.96 A)
 &rst
  ixpk= 1351, nxpk= 15, iat= 967, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HA           59 TYR  HN          4.50    (#   1352:15  Preassigned    4.38, 4.42 A)
 &rst
  ixpk= 1352, nxpk= 15, iat= 951, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HD2+         59 TYR  HN          5.50    (#   1353:15  Preassigned    4.41, 5.91 A)
 &rst
  ixpk= 1353, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 958, 959,
 &end
#
#   61 ILE  HG1-         59 TYR  HN          5.50    (#   1354:15  Preassigned    3.99, 4.88 A)
 &rst
  ixpk= 1354, nxpk= 15, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 973, 974,
 &end
#
#   61 ILE  HG1-         60 ASN  HN          5.50    (#   1355:15  Preassigned    4.25, 5.20 A)
 &rst
  ixpk= 1355, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 973, 974,
 &end
#
#   57 SER  HN           60 ASN  HN          5.50    (#   1356:15  Preassigned    5.41, 5.44 A)
 &rst
  ixpk= 1356, nxpk= 15, iat= 905, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HD2+         60 ASN  HN          4.50    (#   1357:15  Preassigned    2.77, 3.82 A)
 &rst
  ixpk= 1357, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 958, 959,
 &end
#
#    0 AMB  15-3:1358    60 ASN  HN          5.50    (#   1358:15  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 733, 731,
 &end
#
#   57 SER  HB+          60 ASN  HN          4.50    (#   1360:15  Preassigned    4.86, 5.30 A)
 &rst
  ixpk= 1360, nxpk= 15, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 909, 910,
 &end
#
#    1 MET  QE           61 ILE  HN          5.50    (#   1361:15  Preassigned    5.99, 6.85 A)
 &rst
  ixpk= 1361, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  15,  16,  17,
 &end
#
#   62 GLN  HG-          61 ILE  HN          5.50    (#   1362:15  Unique         3.83, 4.87 A)
 &rst
  ixpk= 1362, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   57 SER  HB+          61 ILE  HN          5.50    (#   1363:15  Preassigned    4.76, 5.40 A)
 &rst
  ixpk= 1363, nxpk= 15, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 909, 910,
 &end
#
#   45 PHE  HE2          61 ILE  HN          4.50    (#   1364:15  Preassigned    4.47, 4.59 A)
 &rst
  ixpk= 1364, nxpk= 15, iat= 733, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HG+          63 LYS  HN          5.50    (#   1366:15  Unique         3.61, 4.22 A)
 &rst
  ixpk= 1366, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  11,  12,
 &end
#
#    2 GLN  HN           63 LYS  HN          5.50    (#   1367:15  Preassigned    5.45, 5.50 A)
 &rst
  ixpk= 1367, nxpk= 15, iat=  21, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1368    65 SER  HN          5.50    (#   1368:15  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1006,1007,1006,1007,
 &end
#
#    0 AMB  15-3:1369    65 SER  HN          4.50    (#   1369:15  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  15,  16,  17,  25,  26,
 &end
#
#    0 AMB  15-3:1370    65 SER  HN          4.50    (#   1370:15  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1025,1026,  11,  12,
 &end
#
#   62 GLN  HA           65 SER  HN          7.00    (#   1371:15  Preassigned    6.61, 6.72 A)
 &rst
  ixpk= 1371, nxpk= 15, iat= 984,1036, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1372    65 SER  HN          5.50    (#   1372:15  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1049,  23,
 &end
#
#    0 AMB  15-3:1373    65 SER  HN          5.50    (#   1373:15  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  67,  69,  71,
 &end
#
#    4 PHE  HD1          66 THR  HN          5.50    (#   1374:15  Preassigned    3.45, 3.91 A)
 &rst
  ixpk= 1374, nxpk= 15, iat=  65,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 SER  HG           66 THR  HN          5.50    (#   1375:15  Unique         2.33, 3.20 A)
 &rst
  ixpk= 1375, nxpk= 15, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ILE  HA           66 THR  HN          5.50    (#   1376:15  Preassigned    5.56, 5.60 A)
 &rst
  ixpk= 1376, nxpk= 15, iat=  40,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1377    66 THR  HN          5.50    (#   1377:15  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965,1023,
 &end
#
#    4 PHE  HB-          66 THR  HN          5.50    (#   1378:15  Preassigned    4.46, 5.52 A)
 &rst
  ixpk= 1378, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    4 PHE  HB+          66 THR  HN          5.50    (#   1379:15  Preassigned    4.46, 5.52 A)
 &rst
  ixpk= 1379, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    0 AMB  15-3:1380    66 THR  HN          5.50    (#   1380:15  Single Ambig)
 &rst
  ixpk= 1380, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1065,1066,  42,
 &end
#
#    0 AMB  15-3:1381    66 THR  HN          5.50    (#   1381:15  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 15, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1065,1066,  97,  98,
 &end
#
#   44 ILE  HN           68 HIS  HN          3.50    (#   1382:15  Preassigned    2.74, 2.97 A)
 &rst
  ixpk= 1382, nxpk= 15, iat= 700,1080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 HIS  HD2          68 HIS  HN          7.00    (#   1383:15  Preassigned    5.47, 5.68 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=1093,1080, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   43 LEU  HA           68 HIS  HN          4.50    (#   1384:15  Preassigned    4.49, 4.56 A)
 &rst
  ixpk= 1384, nxpk= 15, iat= 683,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 VAL  HA           68 HIS  HN          5.50    (#   1385:15  Preassigned    4.29, 4.39 A)
 &rst
  ixpk= 1385, nxpk= 15, iat=  79,1080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1386    68 HIS  HN          5.50    (#   1386:15  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  97,  98, 710, 711,
 &end
#
#   66 THR  QG2          68 HIS  HN          5.50    (#   1387:15  Preassigned    5.35, 6.42 A)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   42 ARG  HN           72 ARG  HN          4.50    (#   1389:15  Unique         1.89, 1.96 A)
 &rst
  ixpk= 1389, nxpk= 15, iat= 657,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 THR  HA           23 ILE  HN          3.50    (#   1390:15  Preassigned    2.20, 2.22 A)
 &rst
  ixpk= 1390, nxpk= 15, iat= 342, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLN  HE2+         74 ARG  HN          7.00    (#   1392:15  Unique         2.49, 4.01 A)
 &rst
  ixpk= 1392, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 635, 636,
 &end
#
#    0 AMB  15-3:1393    75 GLY  HN          4.50    (#   1393:15  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1198,1199,1179,1180,1155,1156,
 &end
#
#   76 GLY  HN           75 GLY  HN          5.50    (#   1395:15  Preassigned    1.90, 2.40 A)
 &rst
  ixpk= 1395, nxpk= 15, iat=1225,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 GLY  HN           76 GLY  HN          4.50    (#   1396:15  Preassigned    1.90, 2.40 A)
 &rst
  ixpk= 1396, nxpk= 15, iat=1218,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1397    76 GLY  HN          5.50    (#   1397:15  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 15, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1204,1205,1204,1205,
 &end
#
#   49 GLN  HB+          49 GLN  HN          2.80    (#   1483:15  Preassigned    2.07, 2.76 A)
 &rst
  ixpk= 1483, nxpk= 15, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 782, 783,
 &end
#
#   32 ASP  HB+          33 LYS  HN          3.50    (#   1484:15  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 1484, nxpk= 15, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 512, 513,
 &end
#
#  108   GLY      QA 108   GLY       H    3.50   (#           0:25)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1744,1745,
 &end
#
#  106   ARG      QG 106   ARG      QB    4.50   (#           1:25)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1708,1709,
 &end
#
#  106   ARG      QG 106   ARG      QD    3.50   (#           2:25)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1711,1712,
 igr2=1714,1715,
 &end
#
#  106   ARG      QG 106   ARG      HA    4.50   (#           3:25)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1711,1712,
 &end
#
#  106   ARG      QG 106   ARG       H    5.50   (#           4:25)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1711,1712,
 &end
#
#  106   ARG      QG 105   LYS      QG    5.50   (#           5:25)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1711,1712,
 igr2=1689,1690,
 &end
#
#  106   ARG      QD 106   ARG      QB    4.50   (#           6:25)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1708,1709,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#           7:25)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#           8:25)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  106   ARG      QB 106   ARG      QD    3.50   (#           9:25)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1708,1709,
 igr2=1714,1715,
 &end
#
#  106   ARG      QB 106   ARG      HA    3.50   (#          10:25)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1708,1709,
 &end
#
#  106   ARG      QB 106   ARG       H    3.50   (#          11:25)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1708,1709,
 &end
#
#  106   ARG      QB 103   GLU      HA    4.50   (#          12:25)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1708,1709,
 &end
#
#  106   ARG      HA 107   THR       H    4.50   (#          13:25)
 &rst
  ixpk= 13, nxpk= 25, iat=1706,1728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG      HA 106   ARG       H    4.50   (#          14:25)
 &rst
  ixpk= 14, nxpk= 25, iat=1706,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG      HA 104   TRP      HA    7.00   (#          15:25)
 &rst
  ixpk= 15, nxpk= 25, iat=1706,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  106   ARG      HA 106   ARG      QD    4.50   (#          17:25)
 &rst
  ixpk= 17, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1714,1715,
 &end
#
#  106   ARG      HA 106   ARG      QB    3.50   (#          18:25)
 &rst
  ixpk= 18, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1708,1709,
 &end
#
#  106   ARG      HA 106   ARG      QG    4.50   (#          19:25)
 &rst
  ixpk= 19, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1711,1712,
 &end
#
#  106   ARG      HA 106   ARG      QG    4.50   (#          20:25)
 &rst
  ixpk= 20, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1711,1712,
 &end
#
#  105   LYS      QG 105   LYS       H    5.50   (#          21:25)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1689,1690,
 &end
#
#  105   LYS      QG 105   LYS      HA    4.50   (#          22:25)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1689,1690,
 &end
#
#  105   LYS      QG 105   LYS      QE    4.50   (#          23:25)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1689,1690,
 igr2=1695,1696,
 &end
#
#  105   LYS      QG 105   LYS      QB    3.50   (#          24:25)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1686,1687,
 &end
#
#  105   LYS      QG 105   LYS      QD    3.50   (#          25:25)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1692,1693,
 &end
#
#  105   LYS      QE 105   LYS      QD    3.50   (#          26:25)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1695,1696,
 igr2=1692,1693,
 &end
#
#  105   LYS      QE 105   LYS      QG    4.50   (#          27:25)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1695,1696,
 igr2=1689,1690,
 &end
#
#  105   LYS      QE 105   LYS      QB    5.50   (#          28:25)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1695,1696,
 igr2=1686,1687,
 &end
#
#  105   LYS      QD 105   LYS      QG    2.80   (#          30:25)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1692,1693,
 igr2=1689,1690,
 &end
#
#  105   LYS      QD 105   LYS      QB    3.50   (#          31:25)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1692,1693,
 igr2=1686,1687,
 &end
#
#  105   LYS      QD 105   LYS      QE    3.50   (#          32:25)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1692,1693,
 igr2=1695,1696,
 &end
#
#  105   LYS      QD 103   GLU      HA    7.00   (#          33:25)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1692,1693,
 &end
#
#  105   LYS      QD 105   LYS      HA    4.50   (#          34:25)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1692,1693,
 &end
#
#  105   LYS      QD 105   LYS       H    5.50   (#          35:25)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1692,1693,
 &end
#
#  105   LYS      QB 105   LYS      QD    3.50   (#          38:25)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1686,1687,
 igr2=1692,1693,
 &end
#
#  105   LYS      QB 105   LYS      QG    3.50   (#          39:25)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1686,1687,
 igr2=1689,1690,
 &end
#
#   86   PRO      QB  86   PRO      HA    3.50   (#          40:25)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#  105   LYS      QB 102   ALA      HA    4.50   (#          41:25)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1686,1687,
 &end
#
#  105   LYS      QB 105   LYS      HA    3.50   (#          42:25)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#  105   LYS      QB 105   LYS       H    3.50   (#          43:25)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#  105   LYS      HA 105   LYS       H    3.50   (#          44:25)
 &rst
  ixpk= 44, nxpk= 25, iat=1684,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105   LYS      HA 104   TRP      HA    5.50   (#          45:25)
 &rst
  ixpk= 45, nxpk= 25, iat=1684,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS      HA 105   LYS      QB    3.50   (#          46:25)
 &rst
  ixpk= 46, nxpk= 25, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#  105   LYS      HA 105   LYS      QD    4.50   (#          47:25)
 &rst
  ixpk= 47, nxpk= 25, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1692,1693,
 &end
#
#  105   LYS      HA 105   LYS      QG    4.50   (#          48:25)
 &rst
  ixpk= 48, nxpk= 25, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1689,1690,
 &end
#
#   79   MET      HA  80   PHE       H    3.50   (#          49:25)
 &rst
  ixpk= 49, nxpk= 25, iat=1261,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79   MET      HA  79   MET      QB    3.50   (#          54:25)
 &rst
  ixpk= 54, nxpk= 25, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1263,1264,
 &end
#
#   81   PRO      QB  81   PRO      HA    4.50   (#          55:25)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1303,1304,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#          56:25)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  80   PHE      HA    4.50   (#          57:25)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1297,1298,
 &end
#
#   81   PRO      QG  81   PRO      QB    4.50   (#          58:25)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   82   SER      HA  82   SER      QB    3.50   (#          60:25)
 &rst
  ixpk= 60, nxpk= 25, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1314,1315,
 &end
#
#   82   SER      HA  81   PRO      HA    5.50   (#          61:25)
 &rst
  ixpk= 61, nxpk= 25, iat=1312,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  83   ASP       H    3.50   (#          62:25)
 &rst
  ixpk= 62, nxpk= 25, iat=1323,1321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83   ASP      HA  84   ILE       H    4.50   (#          63:25)
 &rst
  ixpk= 63, nxpk= 25, iat=1323,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP      HA  83   ASP      QB    3.50   (#          64:25)
 &rst
  ixpk= 64, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1325,1326,
 &end
#
#   83   ASP      HA  83   ASP      QB    3.50   (#          65:25)
 &rst
  ixpk= 65, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1325,1326,
 &end
#
#   83   ASP      QB  81   PRO      QG    4.50   (#          66:25)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   83   ASP      QB  83   ASP      HA    3.50   (#          67:25)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1325,1326,
 &end
#
#   83   ASP      QB  83   ASP       H    4.50   (#          68:25)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1325,1326,
 &end
#
#   83   ASP      QB  81   PRO      QG    5.50   (#          69:25)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   83   ASP      QB  83   ASP      HA    3.50   (#          70:25)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1325,1326,
 &end
#
#   83   ASP      QB  83   ASP       H    4.50   (#          71:25)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1325,1326,
 &end
#
#   84   ILE      HA  83   ASP      HA    4.50   (#          72:25)
 &rst
  ixpk= 72, nxpk= 25, iat=1335,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE      HA  84   ILE       H    4.50   (#          73:25)
 &rst
  ixpk= 73, nxpk= 25, iat=1335,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE      HA  85   ASP       H    4.50   (#          74:25)
 &rst
  ixpk= 74, nxpk= 25, iat=1335,1352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE      HA  84   ILE     QG2    3.50   (#          75:25)
 &rst
  ixpk= 75, nxpk= 25, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE      HB  84   ILE     QG1    4.50   (#          76:25)
 &rst
  ixpk= 76, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1343,1344,
 &end
#
#   84   ILE      HB  84   ILE     QG2    4.50   (#          77:25)
 &rst
  ixpk= 77, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE      HB  84   ILE       H    4.50   (#          78:25)
 &rst
  ixpk= 78, nxpk= 25, iat=1337,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN      HA  87   GLN      QB    2.80   (#          79:25)
 &rst
  ixpk= 79, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1382,1383,
 &end
#
#   87   GLN      HA  87   GLN      QG    4.50   (#          80:25)
 &rst
  ixpk= 80, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1385,1386,
 &end
#
#   87   GLN      HA  88   VAL       H    4.50   (#          81:25)
 &rst
  ixpk= 81, nxpk= 25, iat=1380,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN      HA  87   GLN       H    4.50   (#          82:25)
 &rst
  ixpk= 82, nxpk= 25, iat=1380,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU      HA 103   GLU      QG    3.50   (#          83:25)
 &rst
  ixpk= 83, nxpk= 25, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1650,1651,
 &end
#
#  103   GLU      HA 103   GLU      QB    3.50   (#          84:25)
 &rst
  ixpk= 84, nxpk= 25, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1647,1648,
 &end
#
#  103   GLU      HA 103   GLU       H    4.50   (#          85:25)
 &rst
  ixpk= 85, nxpk= 25, iat=1645,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94   GLU      HA  94   GLU      QG    4.50   (#          86:25)
 &rst
  ixpk= 86, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1507,1508,
 &end
#
#   94   GLU      HA  94   GLU      QB    3.50   (#          87:25)
 &rst
  ixpk= 87, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1504,1505,
 &end
#
#   94   GLU      HA  93   PRO      QG    5.50   (#          88:25)
 &rst
  ixpk= 88, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#   94   GLU      HA  98   LYS       H    5.50   (#          89:25)
 &rst
  ixpk= 89, nxpk= 25, iat=1502,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU      HA  97   GLN     QE2    5.50   (#          90:25)
 &rst
  ixpk= 90, nxpk= 25, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1553,1554,
 &end
#
#   94   GLU      HA  96   VAL       H    5.50   (#          91:25)
 &rst
  ixpk= 91, nxpk= 25, iat=1502,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93   PRO      QB  93   PRO      QG    3.50   (#          93:25)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1493,1494,
 igr2=1490,1491,
 &end
#
#   93   PRO      QB  96   VAL     QQG    4.50   (#          95:25)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1493,1494,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#          96:25)
 &rst
  ixpk= 96, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU      QB    3.50   (#          97:25)
 &rst
  ixpk= 97, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1471,1472,
 &end
#
#   92   LEU      HG  88   VAL     QQG    5.50   (#          98:25)
 &rst
  ixpk= 98, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   92   LEU      HG  92   LEU      QB    4.50   (#          99:25)
 &rst
  ixpk= 99, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1471,1472,
 &end
#
#   92   LEU      HG  93   PRO      QG    4.50   (#         100:25)
 &rst
  ixpk= 100, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1490,1491,
 &end
#
#   92   LEU      HG  89   PHE      HA    4.50   (#         101:25)
 &rst
  ixpk= 101, nxpk= 25, iat=1474,1413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU      HG  92   LEU      HA    5.50   (#         102:25)
 &rst
  ixpk= 102, nxpk= 25, iat=1474,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU      HG  92   LEU       H    4.50   (#         103:25)
 &rst
  ixpk= 103, nxpk= 25, iat=1474,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU     QQD  89   PHE      QD    5.50   (#         104:25)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1419,1427,
 &end
#
#   92   LEU      HG  96   VAL       H    7.00   (#         105:25)
 &rst
  ixpk= 105, nxpk= 25, iat=1474,1525, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92   LEU      HA  93   PRO      QD    4.50   (#         106:25)
 &rst
  ixpk= 106, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1487,1488,
 &end
#
#   92   LEU      HA  92   LEU       H    5.50   (#         107:25)
 &rst
  ixpk= 107, nxpk= 25, iat=1469,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU      HA  93   PRO      QD    4.50   (#         108:25)
 &rst
  ixpk= 108, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1487,1488,
 &end
#
#   92   LEU      HA  93   PRO      QG    5.50   (#         109:25)
 &rst
  ixpk= 109, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#   92   LEU      HA  92   LEU      QB    5.50   (#         110:25)
 &rst
  ixpk= 110, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#         111:25)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#         112:25)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QB  83   ASP      QB    5.50   (#         113:25)
 &rst
  ixpk= 113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1303,1304,
 igr2=1325,1326,
 &end
#
#   82   SER      HA  84   ILE       H    5.50   (#         114:25)
 &rst
  ixpk= 114, nxpk= 25, iat=1312,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  81   PRO      QG    5.50   (#         115:25)
 &rst
  ixpk= 115, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
#   84   ILE      HB  83   ASP      QB    5.50   (#         116:25)
 &rst
  ixpk= 116, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   84   ILE      HB  84   ILE      HA    5.50   (#         117:25)
 &rst
  ixpk= 117, nxpk= 25, iat=1337,1335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84   ILE      HB  84   ILE     QG1    4.50   (#         118:25)
 &rst
  ixpk= 118, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1343,1344,
 &end
#
#   82   SER      HA  82   SER       H    3.50   (#         119:25)
 &rst
  ixpk= 119, nxpk= 25, iat=1312,1310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108   GLY      QA 106   ARG      QB    7.00   (#         120:25)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1744,1745,
 igr2=1708,1709,
 &end
#
#  107   THR      HA 107   THR     QG2    3.50   (#         121:25)
 &rst
  ixpk= 121, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1734,1735,1736,
 &end
#
#   88   VAL      HA  88   VAL     QQG    3.50   (#         122:25)
 &rst
  ixpk= 122, nxpk= 25, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL      HB  88   VAL      HA    3.50   (#         123:25)
 &rst
  ixpk= 123, nxpk= 25, iat=1399,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88   VAL      HB   8   LEU      HA    5.50   (#         124:25)
 &rst
  ixpk= 124, nxpk= 25, iat=1399, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL      HB  88   VAL       H    4.50   (#         125:25)
 &rst
  ixpk= 125, nxpk= 25, iat=1399,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL      HB  89   PHE       H    5.50   (#         126:25)
 &rst
  ixpk= 126, nxpk= 25, iat=1399,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL      HB  88   VAL     QQG    3.50   (#         128:25)
 &rst
  ixpk= 128, nxpk= 25, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   83   ASP      QB  80   PHE       H    5.50   (#         129:25)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1325,1326,
 &end
#
#   89   PHE      QB  89   PHE       H    5.50   (#         130:25)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1415,1416,
 &end
#
#   83   ASP      QB  81   PRO      QG    4.50   (#         132:25)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   89   PHE      QB  84   ILE      HB    5.50   (#         133:25)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1415,1416,
 &end
#
#   89   PHE      QB  84   ILE     QG2    7.00   (#         134:25)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1415,1416,
 igr2=1339,1340,1341,
 &end
#
#   80   PHE      QB  84   ILE      HB    4.50   (#         135:25)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1280,1281,
 &end
#
#   80   PHE      QB  84   ILE     QD1    4.50   (#         136:25)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1280,1281,
 igr2=1346,1347,1348,
 &end
#
#   90   TYR      HA  90   TYR       H    5.50   (#         141:25)
 &rst
  ixpk= 141, nxpk= 25, iat=1433,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR      HA  91   GLU       H    5.50   (#         142:25)
 &rst
  ixpk= 142, nxpk= 25, iat=1433,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR      HA  90   TYR      QD    3.50   (#         143:25)
 &rst
  ixpk= 143, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1439,1448,
 &end
#
#   90   TYR      HA  92   LEU       H    4.50   (#         144:25)
 &rst
  ixpk= 144, nxpk= 25, iat=1433,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR      HA  90   TYR      QE    5.50   (#         145:25)
 &rst
  ixpk= 145, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1441,1446,
 &end
#
#   90   TYR      HA  97   GLN     QE2    5.50   (#         146:25)
 &rst
  ixpk= 146, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1553,1554,
 &end
#
#   90   TYR      HA  90   TYR      QB    4.50   (#         148:25)
 &rst
  ixpk= 148, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR      HA  90   TYR      QB    4.50   (#         149:25)
 &rst
  ixpk= 149, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR      QB  90   TYR      QD    5.50   (#         150:25)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1435,1436,
 igr2=1439,1448,
 &end
#
#   90   TYR      QB  90   TYR       H    4.50   (#         151:25)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   90   TYR      QB  90   TYR      HA    4.50   (#         152:25)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   91   GLU      HA  92   LEU       H    5.50   (#         153:25)
 &rst
  ixpk= 153, nxpk= 25, iat=1454,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU      HA  91   GLU       H    4.50   (#         154:25)
 &rst
  ixpk= 154, nxpk= 25, iat=1454,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU      HA  91   GLU      QG    4.50   (#         155:25)
 &rst
  ixpk= 155, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   91   GLU      HA  91   GLU      QG    3.50   (#         156:25)
 &rst
  ixpk= 156, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1459,1460,
 &end
#
#   91   GLU      HA  91   GLU      QB    4.50   (#         157:25)
 &rst
  ixpk= 157, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1456,1457,
 &end
#
#   91   GLU      HA  91   GLU      QB    3.50   (#         158:25)
 &rst
  ixpk= 158, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1456,1457,
 &end
#
#   93   PRO      QD  92   LEU      HA    4.50   (#         159:25)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1487,1488,
 &end
#
#   93   PRO      QD  93   PRO      QG    4.50   (#         161:25)
 &rst
  ixpk= 161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1490,1491,
 &end
#
#   93   PRO      QD  92   LEU      QB    4.50   (#         162:25)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1471,1472,
 &end
#
#   93   PRO      QD  92   LEU     QQD    4.50   (#         163:25)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1487,1488,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   93   PRO      QD  93   PRO      QB    3.50   (#         164:25)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1487,1488,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QG    2.80   (#         165:25)
#This appears to be self-referential: ignoring
#
#   93   PRO      QG  96   VAL     QQG    4.50   (#         166:25)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   93   PRO      QG  92   LEU     QQD    4.50   (#         167:25)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   93   PRO      QG  93   PRO      QB    3.50   (#         168:25)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QB    3.50   (#         169:25)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QD    4.50   (#         170:25)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  97   GLN      HA    5.50   (#         171:25)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      QD    5.50   (#         172:25)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  92   LEU      QB    5.50   (#         173:25)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1471,1472,
 &end
#
#   93   PRO      QG  92   LEU     QQD    4.50   (#         174:25)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   81   PRO      HA  82   SER       H    4.50   (#         175:25)
 &rst
  ixpk= 175, nxpk= 25, iat=1306,1310, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER       H  81   PRO      HA    4.50   (#         175:25)
 &rst
  ixpk= 175, nxpk= 25, iat=1310,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER      QB  82   SER      HA    3.50   (#         176:25)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1314,1315,
 &end
#
#   82   SER      QB  82   SER       H    4.50   (#         177:25)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1314,1315,
 &end
#
#   83   ASP      QB  79   MET      HA    7.00   (#         181:25)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1325,1326,
 &end
#
#   79   MET      QB  79   MET      HA    4.50   (#         182:25)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1263,1264,
 &end
#
#   79   MET      QB  79   MET      HA    4.50   (#         184:25)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1263,1264,
 &end
#
#   81   PRO      QB  81   PRO      HA    4.50   (#         185:25)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1303,1304,
 &end
#
#   81   PRO      QB  81   PRO      QG    4.50   (#         186:25)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1303,1304,
 igr2=1300,1301,
 &end
#
#   81   PRO      QB  82   SER       H    5.50   (#         187:25)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1303,1304,
 &end
#
#   81   PRO      QD  83   ASP      QB    5.50   (#         188:25)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1325,1326,
 &end
#
#   81   PRO      QD  81   PRO      QG    5.50   (#         189:25)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  81   PRO      QG    4.50   (#         190:25)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  83   ASP      QB    5.50   (#         191:25)
 &rst
  ixpk= 191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1325,1326,
 &end
#
#   81   PRO      QD  80   PHE      HA    4.50   (#         192:25)
 &rst
  ixpk= 192, nxpk= 25, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1297,1298,
 &end
#
#   81   PRO      QD  81   PRO      QG    5.50   (#         194:25)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  81   PRO      QG    4.50   (#         195:25)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   81   PRO      QD  84   ILE     QG2    5.50   (#         196:25)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1297,1298,
 igr2=1339,1340,1341,
 &end
#
#   81   PRO      QG  84   ILE     QG2    5.50   (#         197:25)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1301,
 igr2=1339,1340,1341,
 &end
#
#   81   PRO      QG  81   PRO      QB    3.50   (#         198:25)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   81   PRO      QG  81   PRO      QD    4.50   (#         199:25)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#  100   LEU     QQD 100   LEU      HA    3.50   (#         200:25)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   81   PRO      QG  81   PRO      HA    7.00   (#         201:25)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1300,1301,
 &end
#
#   81   PRO      QG  83   ASP      HA    5.50   (#         202:25)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#   81   PRO      QG  84   ILE     QG2    5.50   (#         204:25)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1301,
 igr2=1339,1340,1341,
 &end
#
#   81   PRO      QG  81   PRO      QD    4.50   (#         205:25)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#   81   PRO      QG  81   PRO      HA    5.50   (#         206:25)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#   81   PRO      QG  83   ASP      HA    5.50   (#         207:25)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1300,1301,
 &end
#
#   82   SER      HA  83   ASP      HA    5.50   (#         208:25)
 &rst
  ixpk= 208, nxpk= 25, iat=1312,1323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84   ILE     QG1  81   PRO      QG    5.50   (#         209:25)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1343,1344,
 igr2=1300,1301,
 &end
#
#   84   ILE     QG1  84   ILE     QG2    3.50   (#         210:25)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1343,1344,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE     QG1  84   ILE      HB    4.50   (#         211:25)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1343,1344,
 &end
#
#   84   ILE     QG1  84   ILE       H    5.50   (#         212:25)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1343,1344,
 &end
#
#   88   VAL      HA  88   VAL      HB    4.50   (#         213:25)
 &rst
  ixpk= 213, nxpk= 25, iat=1397,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86   PRO      HA  86   PRO      QB    3.50   (#         214:25)
 &rst
  ixpk= 214, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1371,1372,
 &end
#
#   86   PRO      QB  87   GLN       H    5.50   (#         215:25)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#   86   PRO      QG  86   PRO      QD    4.50   (#         216:25)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  86   PRO      QD    4.50   (#         217:25)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  85   ASP      HA    5.50   (#         218:25)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1368,1369,
 &end
#
#   86   PRO      QG  87   GLN       H    4.50   (#         219:25)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1368,1369,
 &end
#
#   87   GLN      HA  85   ASP      QB    7.00   (#         220:25)
 &rst
  ixpk= 220, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1356,1357,
 &end
#
#   87   GLN      QB  87   GLN      HA    4.50   (#         221:25)
 &rst
  ixpk= 221, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  87   GLN      QG    4.50   (#         222:25)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  87   GLN      QG    3.50   (#         223:25)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  88   VAL     QQG    5.50   (#         224:25)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1382,1383,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      QB  87   GLN      QG    4.50   (#         225:25)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  87   GLN      QG    3.50   (#         226:25)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  87   GLN      HA    4.50   (#         227:25)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  88   VAL       H    4.50   (#         228:25)
 &rst
  ixpk= 228, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  88   VAL       H    4.50   (#         229:25)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  87   GLN       H    4.50   (#         230:25)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1382,1383,
 &end
#
#   87   GLN      QB  87   GLN       H    3.50   (#         231:25)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1382,1383,
 &end
#
#   87   GLN      QG  87   GLN      QB    4.50   (#         232:25)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1385,1386,
 igr2=1382,1383,
 &end
#
#   87   GLN      QG  87   GLN      HA    4.50   (#         233:25)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  90   TYR       H    5.50   (#         234:25)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  87   GLN       H    4.50   (#         235:25)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  87   GLN      QB    3.50   (#         236:25)
 &rst
  ixpk= 236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1385,1386,
 igr2=1382,1383,
 &end
#
#   87   GLN      QG  86   PRO      QB    5.50   (#         237:25)
 &rst
  ixpk= 237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1385,1386,
 igr2=1371,1372,
 &end
#
#   87   GLN      QG  88   VAL     QQG    5.50   (#         238:25)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1385,1386,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      QG  86   PRO      QD    7.00   (#         239:25)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1385,1386,
 igr2=1365,1366,
 &end
#
#   87   GLN      QG  87   GLN      HA    4.50   (#         240:25)
 &rst
  ixpk= 240, nxpk= 25, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  88   VAL       H    5.50   (#         241:25)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  90   TYR       H    5.50   (#         242:25)
 &rst
  ixpk= 242, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
#   87   GLN      QG  87   GLN       H    4.50   (#         243:25)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1385,1386,
 &end
#
#   89   PHE      HA  88   VAL     QQG    4.50   (#         244:25)
 &rst
  ixpk= 244, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   89   PHE      HA  92   LEU      HG    4.50   (#         245:25)
 &rst
  ixpk= 245, nxpk= 25, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  89   PHE      QD    5.50   (#         246:25)
 &rst
  ixpk= 246, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1419,1427,
 &end
#
#   90   TYR      QB  90   TYR      HA    4.50   (#         247:25)
 &rst
  ixpk= 247, nxpk= 25, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   90   TYR      QB  90   TYR      QD    5.50   (#         248:25)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1435,1436,
 igr2=1439,1448,
 &end
#
#   90   TYR      QB  90   TYR       H    4.50   (#         249:25)
 &rst
  ixpk= 249, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1435,1436,
 &end
#
#   91   GLU      QB  91   GLU      QG    4.50   (#         250:25)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1456,1457,
 igr2=1459,1460,
 &end
#
#   91   GLU      QB  91   GLU      HA    4.50   (#         251:25)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   91   GLU      QB  91   GLU       H    4.50   (#         252:25)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   91   GLU      QG  91   GLU      HA    4.50   (#         253:25)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU       H    4.50   (#         254:25)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU      QB    4.50   (#         255:25)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1459,1460,
 igr2=1456,1457,
 &end
#
#   91   GLU      QG  88   VAL      HA    7.00   (#         256:25)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU      HA    4.50   (#         257:25)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   91   GLU      QG  91   GLU       H    4.50   (#         258:25)
 &rst
  ixpk= 258, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1459,1460,
 &end
#
#   92   LEU      HA  92   LEU      QB    4.50   (#         259:25)
 &rst
  ixpk= 259, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1471,1472,
 &end
#
#   92   LEU      HA  92   LEU     QQD    4.50   (#         260:25)
 &rst
  ixpk= 260, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HA  92   LEU     QQD    4.50   (#         261:25)
 &rst
  ixpk= 261, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU       H    5.50   (#         262:25)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU      QB  92   LEU      HA    5.50   (#         263:25)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU      QB  93   PRO      QG    4.50   (#         264:25)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1471,1472,
 igr2=1490,1491,
 &end
#
#   92   LEU      QB  92   LEU     QQD    4.50   (#         265:25)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU     QQD    5.50   (#         266:25)
 &rst
  ixpk= 266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU     QQD    4.50   (#         267:25)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  92   LEU     QQD    5.50   (#         268:25)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1471,1472,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      QB  93   PRO      QG    4.50   (#         269:25)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1471,1472,
 igr2=1490,1491,
 &end
#
#   92   LEU      QB  92   LEU      HA    5.50   (#         270:25)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU      QB  92   LEU       H    5.50   (#         271:25)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1471,1472,
 &end
#
#   92   LEU     QQD  93   PRO      QB    5.50   (#         273:25)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1493,1494,
 &end
#
#   92   LEU      HG  89   PHE       H    7.00   (#         276:25)
 &rst
  ixpk= 276, nxpk= 25, iat=1474,1411, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92   LEU      HG  90   TYR      HA    7.00   (#         277:25)
 &rst
  ixpk= 277, nxpk= 25, iat=1474,1433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   92   LEU      HG  93   PRO      QD    5.50   (#         279:25)
 &rst
  ixpk= 279, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   92   LEU      HG  95   ALA      QB    7.00   (#         281:25)
 &rst
  ixpk= 281, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1519,1520,1521,
 &end
#
#   93   PRO      HA  93   PRO      QB    3.50   (#         282:25)
 &rst
  ixpk= 282, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1493,1494,
 &end
#
#   93   PRO      HA  93   PRO      QB    4.50   (#         283:25)
 &rst
  ixpk= 283, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1493,1494,
 &end
#
#   93   PRO      QB  97   GLN     QE2    5.50   (#         285:25)
 &rst
  ixpk= 285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1493,1494,
 igr2=1553,1554,
 &end
#
#   93   PRO      QB  93   PRO      HA    4.50   (#         286:25)
 &rst
  ixpk= 286, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1493,1494,
 &end
#
#   93   PRO      QB  92   LEU     QQD    5.50   (#         287:25)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1493,1494,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   93   PRO      QG  93   PRO      QD    5.50   (#         289:25)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  97   GLN      HA    5.50   (#         290:25)
 &rst
  ixpk= 290, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      QD    5.50   (#         291:25)
 &rst
  ixpk= 291, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#  108   GLY      QA 103   GLU      HA    7.00   (#         293:25)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1744,1745,
 &end
#
#  108   GLY      QA 105   LYS      HA    4.50   (#         294:25)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1744,1745,
 &end
#
#  107   THR     QG2 106   ARG      QB    4.50   (#         299:25)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1734,1735,1736,
 igr2=1708,1709,
 &end
#
#  107   THR     QG2 103   GLU      QG    5.50   (#         300:25)
 &rst
  ixpk= 300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1734,1735,1736,
 igr2=1650,1651,
 &end
#
#  107   THR     QG2 107   THR      HB    3.50   (#         301:25)
 &rst
  ixpk= 301, nxpk= 25, iat=  -1,1732, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1734,1735,1736,
 &end
#
#  107   THR     QG2 107   THR       H    4.50   (#         302:25)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,1728, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1734,1735,1736,
 &end
#
#  107   THR      HB 107   THR     QG2    3.50   (#         303:25)
 &rst
  ixpk= 303, nxpk= 25, iat=1732,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1734,1735,1736,
 &end
#
#  107   THR      HB 104   TRP      HA    5.50   (#         304:25)
 &rst
  ixpk= 304, nxpk= 25, iat=1732,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107   THR      HB 108   GLY       H    5.50   (#         305:25)
 &rst
  ixpk= 305, nxpk= 25, iat=1732,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG      QG 106   ARG      QB    4.50   (#         306:25)
 &rst
  ixpk= 306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1708,1709,
 &end
#
#  106   ARG      QG 106   ARG      QD    3.50   (#         307:25)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1711,1712,
 igr2=1714,1715,
 &end
#
#  106   ARG      QG 105   LYS      QG    4.50   (#         308:25)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1689,1690,
 &end
#
#  106   ARG      QG 106   ARG      HA    4.50   (#         309:25)
 &rst
  ixpk= 309, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1711,1712,
 &end
#
#  106   ARG      QD 106   ARG      QB    4.50   (#         310:25)
 &rst
  ixpk= 310, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1708,1709,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#         311:25)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  106   ARG      QD 106   ARG      QG    4.50   (#         312:25)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1714,1715,
 igr2=1711,1712,
 &end
#
#  105   LYS      QG 105   LYS      QD    3.50   (#         314:25)
 &rst
  ixpk= 314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1692,1693,
 &end
#
#  105   LYS      QG 105   LYS      QB    3.50   (#         315:25)
 &rst
  ixpk= 315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1689,1690,
 igr2=1686,1687,
 &end
#
#  105   LYS      QG 105   LYS      QE    4.50   (#         316:25)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1689,1690,
 igr2=1695,1696,
 &end
#
#  105   LYS      QG 105   LYS      HA    5.50   (#         317:25)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1689,1690,
 &end
#
#  105   LYS      QG 105   LYS       H    5.50   (#         318:25)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1689,1690,
 &end
#
#  105   LYS      QE 106   ARG      QD    4.50   (#         320:25)
 &rst
  ixpk= 320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1695,1696,
 igr2=1714,1715,
 &end
#
#  104   TRP      QB 104   TRP      HA    4.50   (#         325:25)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP     HE3    4.50   (#         326:25)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,1677, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP       H    5.50   (#         327:25)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP       H    4.50   (#         328:25)
 &rst
  ixpk= 328, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1662,1663,
 &end
#
#  103   GLU      QG 104   TRP       H    4.50   (#         329:25)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 103   GLU       H    4.50   (#         330:25)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 103   GLU      HA    3.50   (#         332:25)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 103   GLU      QB    2.80   (#         334:25)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1650,1651,
 igr2=1647,1648,
 &end
#
#  103   GLU      QB 103   GLU      QG    2.80   (#         336:25)
 &rst
  ixpk= 336, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1647,1648,
 igr2=1650,1651,
 &end
#
#  103   GLU      QB 103   GLU      HA    4.50   (#         337:25)
 &rst
  ixpk= 337, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 103   GLU       H    4.50   (#         338:25)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 104   TRP       H    4.50   (#         339:25)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#   94   GLU      QB  94   GLU      HA    3.50   (#         340:25)
 &rst
  ixpk= 340, nxpk= 25, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1504,1505,
 &end
#
#  103   GLU      QB 103   GLU      HA    4.50   (#         341:25)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 103   GLU       H    4.50   (#         342:25)
 &rst
  ixpk= 342, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#  103   GLU      QB 104   TRP       H    4.50   (#         343:25)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1647,1648,
 &end
#
#   94   GLU      QB  95   ALA       H    4.50   (#         344:25)
 &rst
  ixpk= 344, nxpk= 25, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1504,1505,
 &end
#
#  103   GLU      HA 102   ALA      QB    5.50   (#         346:25)
 &rst
  ixpk= 346, nxpk= 25, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#  102   ALA      QB 102   ALA      HA    2.80   (#         349:25)
 &rst
  ixpk= 349, nxpk= 25, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      QB 102   ALA       H    3.50   (#         350:25)
 &rst
  ixpk= 350, nxpk= 25, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      QB  99   GLU      HA    3.50   (#         352:25)
 &rst
  ixpk= 352, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      HA 102   ALA      QB    3.50   (#         353:25)
 &rst
  ixpk= 353, nxpk= 25, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1637,1638,1639,
 &end
#
#  102   ALA      HA 103   GLU      QB    5.50   (#         354:25)
 &rst
  ixpk= 354, nxpk= 25, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  102   ALA      HA 102   ALA       H    4.50   (#         355:25)
 &rst
  ixpk= 355, nxpk= 25, iat=1635,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA      HA 103   GLU       H    5.50   (#         356:25)
 &rst
  ixpk= 356, nxpk= 25, iat=1635,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101   LEU      HG 102   ALA      QB    3.50   (#         357:25)
 &rst
  ixpk= 357, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1637,1638,1639,
 &end
#
#   98   LYS      QG 101   LEU      HG    4.50   (#         358:25)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#  101   LEU      HG 101   LEU      QB    3.50   (#         359:25)
 &rst
  ixpk= 359, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#  101   LEU      HG 101   LEU     QQD    3.50   (#         360:25)
 &rst
  ixpk= 360, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  101   LEU      HG 101   LEU      HA    3.50   (#         361:25)
 &rst
  ixpk= 361, nxpk= 25, iat=1621,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101   LEU      HG 101   LEU       H    4.50   (#         363:25)
 &rst
  ixpk= 363, nxpk= 25, iat=1621,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU     QQD 100   LEU     QQD    4.50   (#         364:25)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  101   LEU     QQD 105   LYS      QG    4.50   (#         366:25)
 &rst
  ixpk= 366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1623,1624,1625,1627,1628,1629,
 igr2=1689,1690,
 &end
#
#  101   LEU     QQD 100   LEU       H    4.50   (#         372:25)
 &rst
  ixpk= 372, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1623,1624,1625,1627,1628,1629,
 &end
#
#  101   LEU      QB 102   ALA      QB    4.50   (#         373:25)
 &rst
  ixpk= 373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1618,1619,
 igr2=1637,1638,1639,
 &end
#
#  101   LEU      QB 101   LEU      HG    4.50   (#         374:25)
 &rst
  ixpk= 374, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#  101   LEU      QB 101   LEU      HA    4.50   (#         375:25)
 &rst
  ixpk= 375, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#  101   LEU      HA 104   TRP      QB    4.50   (#         376:25)
 &rst
  ixpk= 376, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1662,1663,
 &end
#
#  101   LEU      HA 103   GLU      QB    5.50   (#         377:25)
 &rst
  ixpk= 377, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  101   LEU      HA 101   LEU      QB    4.50   (#         378:25)
 &rst
  ixpk= 378, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#  101   LEU      HA 102   ALA      QB    5.50   (#         379:25)
 &rst
  ixpk= 379, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#  101   LEU      HA 101   LEU     QQD    3.50   (#         380:25)
 &rst
  ixpk= 380, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  101   LEU      HA 102   ALA       H    4.50   (#         381:25)
 &rst
  ixpk= 381, nxpk= 25, iat=1616,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU      HA 101   LEU       H    4.50   (#         382:25)
 &rst
  ixpk= 382, nxpk= 25, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU     QQD 100   LEU       H    4.50   (#         383:25)
 &rst
  ixpk= 383, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 104   TRP     HZ2    4.50   (#         384:25)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   97   GLN     QE2 100   LEU     QQD    5.50   (#         385:25)
 &rst
  ixpk= 385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1553,1554,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   81   PRO      QG  80   PHE      QD    5.50   (#         386:25)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1300,1301,
 igr2=1284,1292,
 &end
#
#  100   LEU     QQD 100   LEU      QB    3.50   (#         388:25)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1599,1600,
 &end
#
#  100   LEU     QQD 100   LEU      QB    4.50   (#         389:25)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1599,1600,
 &end
#
#  100   LEU     QQD 100   LEU      QB    4.50   (#         390:25)
 &rst
  ixpk= 390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1604,1605,1606,1608,1609,1610,
 igr2=1599,1600,
 &end
#
#  100   LEU     QQD 101   LEU      HG    5.50   (#         391:25)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 100   LEU      HG    3.50   (#         392:25)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 100   LEU      HA    3.50   (#         393:25)
 &rst
  ixpk= 393, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 104   TRP     HZ2    4.50   (#         394:25)
 &rst
  ixpk= 394, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 100   LEU       H    4.50   (#         395:25)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      QB 100   LEU     QQD    4.50   (#         396:25)
 &rst
  ixpk= 396, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1599,1600,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      QB 100   LEU      HG    4.50   (#         397:25)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1599,1600,
 &end
#
#  100   LEU      QB 100   LEU      HA    5.50   (#         399:25)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1599,1600,
 &end
#
#  100   LEU      QB 100   LEU       H    5.50   (#         400:25)
 &rst
  ixpk= 400, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1599,1600,
 &end
#
#  100   LEU      HA 100   LEU      QB    4.50   (#         401:25)
 &rst
  ixpk= 401, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1599,1600,
 &end
#
#  100   LEU      HA 100   LEU     QQD    3.50   (#         402:25)
 &rst
  ixpk= 402, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      HA 100   LEU      HG    4.50   (#         403:25)
 &rst
  ixpk= 403, nxpk= 25, iat=1597,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU      HA 101   LEU      HG    5.50   (#         404:25)
 &rst
  ixpk= 404, nxpk= 25, iat=1597,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100   LEU      HA 103   GLU      QB    4.50   (#         405:25)
 &rst
  ixpk= 405, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1647,1648,
 &end
#
#  100   LEU      HA 103   GLU      QG    5.50   (#         406:25)
 &rst
  ixpk= 406, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#  100   LEU      HA 100   LEU       H    4.50   (#         407:25)
 &rst
  ixpk= 407, nxpk= 25, iat=1597,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU      QG  99   GLU      HA    4.50   (#         409:25)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1587,1588,
 &end
#
#   99   GLU      QG  99   GLU       H    4.50   (#         410:25)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1587,1588,
 &end
#
#   99   GLU      QB  99   GLU      HA    4.50   (#         412:25)
 &rst
  ixpk= 412, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU       H    4.50   (#         413:25)
 &rst
  ixpk= 413, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB 100   LEU       H    4.50   (#         414:25)
 &rst
  ixpk= 414, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU      QG    4.50   (#         415:25)
 &rst
  ixpk= 415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#   99   GLU      QB  96   VAL      HA    4.50   (#         416:25)
 &rst
  ixpk= 416, nxpk= 25, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU      HA    4.50   (#         417:25)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU       H    4.50   (#         418:25)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   91   GLU      QB  91   GLU       H    4.50   (#         419:25)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   99   GLU      QB 100   LEU       H    4.50   (#         420:25)
 &rst
  ixpk= 420, nxpk= 25, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      QB  99   GLU      QG    4.50   (#         421:25)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#   99   GLU      QB  96   VAL      HA    4.50   (#         422:25)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1584,1585,
 &end
#
#   99   GLU      HA 102   ALA      QB    4.50   (#         423:25)
 &rst
  ixpk= 423, nxpk= 25, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#   99   GLU      HA  99   GLU      QG    4.50   (#         424:25)
 &rst
  ixpk= 424, nxpk= 25, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1587,1588,
 &end
#
#   98   LYS      QG  98   LYS      QB    3.50   (#         425:25)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1565,1566,
 igr2=1562,1563,
 &end
#
#   98   LYS      QG  98   LYS      QE    4.50   (#         426:25)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1565,1566,
 igr2=1571,1572,
 &end
#
#   98   LYS      QG  98   LYS      HA    4.50   (#         427:25)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QG  98   LYS       H    4.50   (#         428:25)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QG  98   LYS      QB    3.50   (#         429:25)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1565,1566,
 igr2=1562,1563,
 &end
#
#   98   LYS      QG  98   LYS      QE    4.50   (#         430:25)
 &rst
  ixpk= 430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1565,1566,
 igr2=1571,1572,
 &end
#
#   98   LYS      QG  98   LYS      HA    4.50   (#         431:25)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QG  98   LYS       H    5.50   (#         432:25)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1565,1566,
 &end
#
#   98   LYS      QE  98   LYS      QG    4.50   (#         433:25)
 &rst
  ixpk= 433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   98   LYS      QE  98   LYS      QG    3.50   (#         434:25)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   98   LYS      QE  98   LYS      QB    4.50   (#         435:25)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1571,1572,
 igr2=1562,1563,
 &end
#
#   98   LYS      QE  97   GLN      QB    5.50   (#         436:25)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1571,1572,
 igr2=1545,1546,
 &end
#
#   98   LYS      QE  94   GLU      QG    4.50   (#         437:25)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1571,1572,
 igr2=1507,1508,
 &end
#
#   98   LYS      QD  98   LYS      QG    3.50   (#         440:25)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1568,1569,
 igr2=1565,1566,
 &end
#
#   98   LYS      QD  98   LYS      QB    3.50   (#         441:25)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1568,1569,
 igr2=1562,1563,
 &end
#
#   98   LYS      QD  94   GLU      QG    4.50   (#         442:25)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1568,1569,
 igr2=1507,1508,
 &end
#
#   98   LYS      QD  98   LYS      QE    4.50   (#         443:25)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1568,1569,
 igr2=1571,1572,
 &end
#
#   98   LYS      QD  98   LYS      HA    4.50   (#         444:25)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1568,1569,
 &end
#
#   98   LYS      QD  95   ALA      HA    4.50   (#         445:25)
 &rst
  ixpk= 445, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1568,1569,
 &end
#
#   98   LYS      QD  98   LYS       H    4.50   (#         446:25)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1568,1569,
 &end
#
#   98   LYS      QB  98   LYS      QG    3.50   (#         447:25)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1562,1563,
 igr2=1565,1566,
 &end
#
#   98   LYS      QB  98   LYS      QD    2.80   (#         448:25)
 &rst
  ixpk= 448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1562,1563,
 igr2=1568,1569,
 &end
#
#   98   LYS      QB  98   LYS      HA    3.50   (#         450:25)
 &rst
  ixpk= 450, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1562,1563,
 &end
#
#   98   LYS      QB  99   GLU       H    4.50   (#         451:25)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1562,1563,
 &end
#
#   98   LYS      QB  98   LYS       H    3.50   (#         452:25)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1562,1563,
 &end
#
#   98   LYS      HA 101   LEU      HG    4.50   (#         453:25)
 &rst
  ixpk= 453, nxpk= 25, iat=1560,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS      HA  98   LYS      QG    4.50   (#         454:25)
 &rst
  ixpk= 454, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1565,1566,
 &end
#
#   98   LYS      HA  98   LYS      QD    4.50   (#         455:25)
 &rst
  ixpk= 455, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1568,1569,
 &end
#
#   98   LYS      HA  98   LYS      QB    3.50   (#         456:25)
 &rst
  ixpk= 456, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1562,1563,
 &end
#
#  102   ALA      HA  98   LYS      HA    7.00   (#         457:25)
 &rst
  ixpk= 457, nxpk= 25, iat=1635,1560, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   98   LYS      HA  99   GLU       H    5.50   (#         458:25)
 &rst
  ixpk= 458, nxpk= 25, iat=1560,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS      HA  98   LYS       H    4.50   (#         459:25)
 &rst
  ixpk= 459, nxpk= 25, iat=1560,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN      HA  96   VAL      HB    4.50   (#         460:25)
 &rst
  ixpk= 460, nxpk= 25, iat=1543,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN      HA 100   LEU      HG    4.50   (#         461:25)
 &rst
  ixpk= 461, nxpk= 25, iat=1543,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      QE  97   GLN      HA    4.50   (#         462:25)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1421,1425,
 &end
#
#   97   GLN      HA  97   GLN       H    4.50   (#         463:25)
 &rst
  ixpk= 463, nxpk= 25, iat=1543,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN      HA  98   LYS       H    5.50   (#         464:25)
 &rst
  ixpk= 464, nxpk= 25, iat=1543,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HB  96   VAL     QQG    3.50   (#         465:25)
 &rst
  ixpk= 465, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HB  96   VAL       H    4.50   (#         466:25)
 &rst
  ixpk= 466, nxpk= 25, iat=1529,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL      HA  96   VAL     QQG    3.50   (#         467:25)
 &rst
  ixpk= 467, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HA  96   VAL      HB    4.50   (#         468:25)
 &rst
  ixpk= 468, nxpk= 25, iat=1527,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL      HA  99   GLU      QB    4.50   (#         469:25)
 &rst
  ixpk= 469, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   96   VAL      HA  99   GLU      QB    4.50   (#         470:25)
 &rst
  ixpk= 470, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   96   VAL      HA  96   VAL       H    5.50   (#         471:25)
 &rst
  ixpk= 471, nxpk= 25, iat=1527,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  99   GLU       H    4.50   (#         472:25)
 &rst
  ixpk= 472, nxpk= 25, iat=1527,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95   ALA      QB  96   VAL     QQG    4.50   (#         473:25)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1519,1520,1521,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   93   PRO      QB  95   ALA      QB    4.50   (#         475:25)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1493,1494,
 igr2=1519,1520,1521,
 &end
#
#   94   GLU      QG  95   ALA      QB    4.50   (#         476:25)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1507,1508,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA      HA  95   ALA      QB    3.50   (#         477:25)
 &rst
  ixpk= 477, nxpk= 25, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA      QB  95   ALA      HA    3.50   (#         477:25)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1519,1520,1521,
 &end
#
#   95   ALA      QB  96   VAL       H    4.50   (#         478:25)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1519,1520,1521,
 &end
#
#   96   VAL       H  95   ALA      QB    4.50   (#         478:25)
 &rst
  ixpk= 478, nxpk= 25, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA       H  95   ALA      QB    3.50   (#         479:25)
 &rst
  ixpk= 479, nxpk= 25, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA      QB  95   ALA       H    3.50   (#         479:25)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1519,1520,1521,
 &end
#
#   95   ALA      HA  95   ALA      QB    3.50   (#         480:25)
 &rst
  ixpk= 480, nxpk= 25, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1519,1520,1521,
 &end
#
#   98   LYS      QG  95   ALA      HA    4.50   (#         481:25)
 &rst
  ixpk= 481, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1565,1566,
 &end
#
#   98   LYS      QB  95   ALA      HA    4.50   (#         482:25)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1562,1563,
 &end
#
#   95   ALA      HA  95   ALA       H    5.50   (#         483:25)
 &rst
  ixpk= 483, nxpk= 25, iat=1517,1515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU      QG  94   GLU      HA    4.50   (#         484:25)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1507,1508,
 &end
#
#   94   GLU      QG  94   GLU      QB    3.50   (#         485:25)
 &rst
  ixpk= 485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1507,1508,
 igr2=1504,1505,
 &end
#
#   94   GLU      QG  94   GLU      QB    3.50   (#         486:25)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1507,1508,
 igr2=1504,1505,
 &end
#
#   94   GLU      QB  94   GLU       H    5.50   (#         488:25)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,1500, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1504,1505,
 &end
#
#   94   GLU      QB  94   GLU      HA    4.50   (#         489:25)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1504,1505,
 &end
#
#   94   GLU      QB  94   GLU      QG    3.50   (#         490:25)
 &rst
  ixpk= 490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1504,1505,
 igr2=1507,1508,
 &end
#
#   98   LYS      QD  95   ALA      QB    4.50   (#         491:25)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1568,1569,
 igr2=1519,1520,1521,
 &end
#
#   94   GLU      QB  95   ALA      QB    4.50   (#         492:25)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1504,1505,
 igr2=1519,1520,1521,
 &end
#
#   94   GLU      QG  95   ALA      QB    5.50   (#         493:25)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1507,1508,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA       H  94   GLU      QB    5.50   (#         494:25)
 &rst
  ixpk= 494, nxpk= 25, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   88   VAL     QQG  92   LEU      QB    4.50   (#         498:25)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1471,1472,
 &end
#
#   88   VAL     QQG  87   GLN      QB    3.50   (#         501:25)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1382,1383,
 &end
#
#   88   VAL     QQG  91   GLU      QG    5.50   (#         502:25)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1459,1460,
 &end
#
#   88   VAL     QQG  90   TYR      QB    5.50   (#         503:25)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1435,1436,
 &end
#
#   88   VAL     QQG  88   VAL      HA    3.50   (#         504:25)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  91   GLU      HA    7.00   (#         505:25)
 &rst
  ixpk= 505, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  86   PRO      QD    5.50   (#         506:25)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1401,1402,1403,1405,1406,1407,
 igr2=1365,1366,
 &end
#
#   88   VAL     QQG  88   VAL       H    3.50   (#         507:25)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  89   PHE       H    4.50   (#         508:25)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  90   TYR       H    5.50   (#         509:25)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL     QQG  87   GLN       H    5.50   (#         510:25)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1401,1402,1403,1405,1406,1407,
 &end
#
#   95   ALA      QB  96   VAL     QQG    4.50   (#         511:25)
 &rst
  ixpk= 511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1519,1520,1521,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HB  96   VAL     QQG    2.80   (#         512:25)
 &rst
  ixpk= 512, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HB  96   VAL     QQG    3.50   (#         512:25)
 &rst
  ixpk= 512, nxpk= 25, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#  102   ALA      QB 101   LEU     QQD    4.50   (#         513:25)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1637,1638,1639,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   88   VAL      HB  88   VAL     QQG    4.50   (#         514:25)
 &rst
  ixpk= 514, nxpk= 25, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   93   PRO      QB  96   VAL     QQG    5.50   (#         515:25)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1493,1494,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL      HA  96   VAL     QQG    3.50   (#         516:25)
 &rst
  ixpk= 516, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   98   LYS      HA 101   LEU     QQD    3.50   (#         517:25)
 &rst
  ixpk= 517, nxpk= 25, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   96   VAL       H  96   VAL     QQG    3.50   (#         518:25)
 &rst
  ixpk= 518, nxpk= 25, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   99   GLU       H 101   LEU     QQD    4.50   (#         521:25)
 &rst
  ixpk= 521, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#   97   GLN       H  96   VAL     QQG    4.50   (#         522:25)
 &rst
  ixpk= 522, nxpk= 25, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#  103   GLU      QG 100   LEU     QQD    5.50   (#         524:25)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1650,1651,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   97   GLN     QE2  92   LEU     QQD    5.50   (#         527:25)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1553,1554,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#  103   GLU       H 100   LEU     QQD    5.50   (#         528:25)
 &rst
  ixpk= 528, nxpk= 25, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  104   TRP     HE1 100   LEU     QQD    5.50   (#         530:25)
 &rst
  ixpk= 530, nxpk= 25, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  107   THR     QG2 104   TRP      HA    4.50   (#         544:25)
 &rst
  ixpk= 544, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1734,1735,1736,
 &end
#
#   92   LEU     QD1  92   LEU     QD2    3.50   (#         547:25)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1476,1477,1478,
 igr2=1480,1481,1482,
 &end
#
#   92   LEU     QQD  92   LEU      QB    3.50   (#         548:25)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1471,1472,
 &end
#
#   92   LEU     QQD  88   VAL     QQG    4.50   (#         549:25)
 &rst
  ixpk= 549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   92   LEU     QQD  92   LEU      QB    4.50   (#         552:25)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1471,1472,
 &end
#
#   92   LEU     QQD  93   PRO      QG    3.50   (#         554:25)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1490,1491,
 &end
#
#   92   LEU     QQD  89   PHE      QB    5.50   (#         555:25)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1415,1416,
 &end
#
#   92   LEU     QQD  93   PRO      QD    3.50   (#         556:25)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU     QQD  93   PRO      QD    4.50   (#         557:25)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU     QQD  92   LEU      HA    3.50   (#         558:25)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU     QQD  89   PHE      QE    5.50   (#         561:25)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1421,1425,
 &end
#
#   92   LEU     QQD  92   LEU       H    4.50   (#         562:25)
 &rst
  ixpk= 562, nxpk= 25, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HA  92   LEU     QQD    5.50   (#         567:25)
 &rst
  ixpk= 567, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#  107   THR     QG2 108   GLY       H    5.50   (#         571:25)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1734,1735,1736,
 &end
#
#   99   GLU      QB  99   GLU      HA    3.50   (#         572:25)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1584,1585,
 &end
#
#   99   GLU       H  99   GLU      HA    4.50   (#         574:25)
 &rst
  ixpk= 574, nxpk= 25, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN      HA  90   TYR       H    5.50   (#         575:25)
 &rst
  ixpk= 575, nxpk= 25, iat=1380,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  84   ILE      HA    4.50   (#         576:25)
 &rst
  ixpk= 576, nxpk= 25, iat=1352,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU      HA 100   LEU      QB    3.50   (#         584:25)
 &rst
  ixpk= 584, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1599,1600,
 &end
#
#  100   LEU      HA 103   GLU       H    5.50   (#         585:25)
 &rst
  ixpk= 585, nxpk= 25, iat=1597,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100   LEU      HA 102   ALA       H    5.50   (#         586:25)
 &rst
  ixpk= 586, nxpk= 25, iat=1597,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102   ALA      QB 103   GLU       H    3.50   (#         604:25)
 &rst
  ixpk= 604, nxpk= 25, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#  102   ALA      QB 101   LEU       H    4.50   (#         605:25)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1637,1638,1639,
 &end
#
#   84   ILE     QG2  88   VAL     QQG    4.50   (#         617:25)
 &rst
  ixpk= 617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1339,1340,1341,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   84   ILE     QG2  81   PRO      QG    5.50   (#         618:25)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2=1300,1301,
 &end
#
#   84   ILE     QG2 100   LEU      HG    5.50   (#         619:25)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  84   ILE      HB    3.50   (#         620:25)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  83   ASP      QB    7.00   (#         622:25)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1339,1340,1341,
 igr2=1325,1326,
 &end
#
#   84   ILE     QG2  85   ASP      QB    5.50   (#         623:25)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2=1356,1357,
 &end
#
#   84   ILE     QG2  89   PHE      HA    5.50   (#         624:25)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  84   ILE      HA    4.50   (#         625:25)
 &rst
  ixpk= 625, nxpk= 25, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  81   PRO      HA    7.00   (#         626:25)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  83   ASP      HA    5.50   (#         627:25)
 &rst
  ixpk= 627, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2 104   TRP     HH2    3.50   (#         630:25)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  84   ILE       H    4.50   (#         631:25)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  89   PHE      QE    5.50   (#         632:25)
 &rst
  ixpk= 632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1339,1340,1341,
 igr2=1421,1425,
 &end
#
#   84   ILE     QG2 104   TRP     HZ2    5.50   (#         633:25)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  89   PHE       H    5.50   (#         634:25)
 &rst
  ixpk= 634, nxpk= 25, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1339,1340,1341,
 &end
#
#   84   ILE     QG2  85   ASP       H    4.50   (#         635:25)
 &rst
  ixpk= 635, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1339,1340,1341,
 &end
#
#   78   HIS      QB  78   HIS      HA    3.50   (#         642:25)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#  102   ALA      QB 104   TRP      HA    7.00   (#         644:25)
 &rst
  ixpk= 644, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1637,1638,1639,
 &end
#
#   98   LYS       H  95   ALA      HA    5.50   (#         651:25)
 &rst
  ixpk= 651, nxpk= 25, iat=1558,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102   ALA      HA 106   ARG       H    5.50   (#         677:25)
 &rst
  ixpk= 677, nxpk= 25, iat=1635,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  82   SER      QB    5.50   (#         683:25)
 &rst
  ixpk= 683, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1314,1315,
 &end
#
#   83   ASP      HA  82   SER      HA    5.50   (#         684:25)
 &rst
  ixpk= 684, nxpk= 25, iat=1323,1312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      HA  84   ILE     QD1    5.50   (#         685:25)
 &rst
  ixpk= 685, nxpk= 25, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1346,1347,1348,
 &end
#
#   86   PRO      QD  86   PRO      QG    4.50   (#         699:25)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  86   PRO      QG    3.50   (#         700:25)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  85   ASP      HA    4.50   (#         704:25)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1365,1366,
 &end
#
#   86   PRO      QD  85   ASP      HA    4.50   (#         705:25)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1365,1366,
 &end
#
#   86   PRO      QD  86   PRO      QG    3.50   (#         707:25)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  86   PRO      QG    4.50   (#         708:25)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1365,1366,
 igr2=1368,1369,
 &end
#
#   86   PRO      QD  87   GLN       H    5.50   (#         709:25)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1365,1366,
 &end
#
#   86   PRO      QD  87   GLN       H    5.50   (#         710:25)
 &rst
  ixpk= 710, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1365,1366,
 &end
#
#   92   LEU     QQD  93   PRO      QD    5.50   (#         730:25)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU     QQD  93   PRO      QD    4.50   (#         731:25)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1487,1488,
 &end
#
#   92   LEU      QB  93   PRO      QD    4.50   (#         732:25)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1471,1472,
 igr2=1487,1488,
 &end
#
#   93   PRO      QG  93   PRO      QD    4.50   (#         733:25)
 &rst
  ixpk= 733, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1490,1491,
 igr2=1487,1488,
 &end
#
#   84   ILE     QD1  84   ILE     QG1    4.50   (#         734:25)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1343,1344,
 &end
#
#   84   ILE     QD1  88   VAL     QQG    5.50   (#         735:25)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1346,1347,1348,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   84   ILE     QD1  81   PRO      QG    4.50   (#         736:25)
 &rst
  ixpk= 736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1300,1301,
 &end
#
#   84   ILE     QD1  81   PRO      QB    5.50   (#         737:25)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,
 igr2=1303,1304,
 &end
#
#   84   ILE     QD1  84   ILE      HB    3.50   (#         738:25)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  81   PRO      QD    4.50   (#         739:25)
 &rst
  ixpk= 739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1297,1298,
 &end
#
#   84   ILE     QD1  83   ASP      QB    4.50   (#         741:25)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1325,1326,
 &end
#
#   84   ILE     QD1  81   PRO      QD    4.50   (#         742:25)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1346,1347,1348,
 igr2=1297,1298,
 &end
#
#   84   ILE     QD1  84   ILE      HA    4.50   (#         744:25)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  81   PRO      HA    7.00   (#         745:25)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  83   ASP      HA    5.50   (#         746:25)
 &rst
  ixpk= 746, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1   9   THR      HB    7.00   (#         747:25)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  84   ILE       H    4.50   (#         751:25)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1 104   TRP     HZ2    4.50   (#         752:25)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  83   ASP       H    5.50   (#         753:25)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1346,1347,1348,
 &end
#
#   84   ILE     QD1  85   ASP       H    4.50   (#         754:25)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1346,1347,1348,
 &end
#
#  106   ARG      QD 103   GLU      HA    5.50   (#         775:25)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1714,1715,
 &end
#
#  106   ARG      QD 106   ARG      HA    4.50   (#         776:25)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1714,1715,
 &end
#
#  106   ARG      QD 106   ARG       H    5.50   (#         781:25)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1714,1715,
 &end
#
#   85   ASP      QB  88   VAL     QQG    5.50   (#         782:25)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1356,1357,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   85   ASP      QB  88   VAL     QQG    5.50   (#         783:25)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1356,1357,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   85   ASP      QB  86   PRO      HA    5.50   (#         784:25)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  86   PRO      HA    7.00   (#         785:25)
 &rst
  ixpk= 785, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  86   PRO      QD    4.50   (#         787:25)
 &rst
  ixpk= 787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1356,1357,
 igr2=1365,1366,
 &end
#
#   85   ASP      QB  86   PRO      QD    4.50   (#         788:25)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1356,1357,
 igr2=1365,1366,
 &end
#
#   85   ASP      QB  85   ASP      HA    5.50   (#         789:25)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  85   ASP       H    4.50   (#         790:25)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1356,1357,
 &end
#
#   85   ASP      QB  85   ASP       H    4.50   (#         791:25)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1356,1357,
 &end
#
#  100   LEU       H 100   LEU      QB    4.50   (#         799:25)
 &rst
  ixpk= 799, nxpk= 25, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1599,1600,
 &end
#
#   89   PHE      QE 100   LEU      QB    7.00   (#         800:25)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1421,1425,
 igr2=1599,1600,
 &end
#
#   97   GLN      HA 100   LEU      QB    5.50   (#         801:25)
 &rst
  ixpk= 801, nxpk= 25, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#   92   LEU      QB  93   PRO      QD    5.50   (#         802:25)
 &rst
  ixpk= 802, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1471,1472,
 igr2=1487,1488,
 &end
#
#   92   LEU      QB  93   PRO      QD    5.50   (#         803:25)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1471,1472,
 igr2=1487,1488,
 &end
#
#   89   PHE      QB  88   VAL     QQG    5.50   (#         808:25)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1415,1416,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   89   PHE      QB  84   ILE     QG1    5.50   (#         809:25)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1415,1416,
 igr2=1343,1344,
 &end
#
#   89   PHE      QB  89   PHE      HA    4.50   (#         810:25)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1415,1416,
 &end
#
#   96   VAL     QQG  99   GLU      QG    5.50   (#         823:25)
 &rst
  ixpk= 823, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1587,1588,
 &end
#
#   97   GLN      QG  96   VAL      HB    4.50   (#         831:25)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1549,
 &end
#
#   97   GLN      QG  97   GLN      QB    3.50   (#         832:25)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1548,1549,
 igr2=1545,1546,
 &end
#
#   97   GLN      QG  97   GLN      HA    4.50   (#         833:25)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1549,
 &end
#
#   97   GLN      QG  97   GLN     QE2    4.50   (#         834:25)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   97   GLN      QG  89   PHE      QE    4.50   (#         835:25)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,
 igr2=1421,1425,
 &end
#
#   97   GLN      QG  97   GLN     QE2    4.50   (#         836:25)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   97   GLN      QG  98   LYS       H    4.50   (#         837:25)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1549,
 &end
#
#  105   LYS      QB 105   LYS      QE    4.50   (#         838:25)
 &rst
  ixpk= 838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1686,1687,
 igr2=1695,1696,
 &end
#
#  107   THR      HB 107   THR       H    5.50   (#         841:25)
 &rst
  ixpk= 841, nxpk= 25, iat=1732,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93   PRO      HA  93   PRO      QB    4.50   (#         842:25)
 &rst
  ixpk= 842, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1493,1494,
 &end
#
#   92   LEU      HA  93   PRO      QB    5.50   (#         843:25)
 &rst
  ixpk= 843, nxpk= 25, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1493,1494,
 &end
#
#   97   GLN      HA  93   PRO      QB    7.00   (#         844:25)
 &rst
  ixpk= 844, nxpk= 25, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1493,1494,
 &end
#
#   93   PRO      QD  93   PRO      QB    5.50   (#         845:25)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1487,1488,
 igr2=1493,1494,
 &end
#
#   93   PRO      QG  93   PRO      QB    4.50   (#         846:25)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#   96   VAL     QQG  93   PRO      QB    5.50   (#         848:25)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1493,1494,
 &end
#
#   92   LEU     QQD  93   PRO      QB    5.50   (#         849:25)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1476,1477,1478,1480,1481,1482,
 igr2=1493,1494,
 &end
#
#   97   GLN     QE2  93   PRO      QB    5.50   (#         850:25)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1553,1554,
 igr2=1493,1494,
 &end
#
#   82   SER       H  81   PRO      QB    5.50   (#         851:25)
 &rst
  ixpk= 851, nxpk= 25, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   78   HIS      HA  78   HIS      QB    4.50   (#         854:25)
 &rst
  ixpk= 854, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1246,1247,
 &end
#
#   78   HIS      HA  78   HIS      QB    4.50   (#         855:25)
 &rst
  ixpk= 855, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1246,1247,
 &end
#
#   78   HIS      QB  78   HIS     HD2    4.50   (#         856:25)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   78   HIS      QB  78   HIS     HD2    4.50   (#         857:25)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   96   VAL      HA  96   VAL      HB    4.50   (#         859:25)
 &rst
  ixpk= 859, nxpk= 25, iat=1527,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81   PRO      QB  84   ILE     QD1    5.50   (#         861:25)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1303,1304,
 igr2=1346,1347,1348,
 &end
#
#  100   LEU     QQD  96   VAL      HB    5.50   (#         862:25)
 &rst
  ixpk= 862, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   91   GLU      QB  91   GLU      HA    4.50   (#         868:25)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1456,1457,
 &end
#
#   91   GLU      QB  91   GLU      QG    4.50   (#         869:25)
 &rst
  ixpk= 869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1456,1457,
 igr2=1459,1460,
 &end
#
#   96   VAL     QQG  99   GLU      QB    4.50   (#         870:25)
 &rst
  ixpk= 870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1584,1585,
 &end
#
#  104   TRP      HA 103   GLU      QB    5.50   (#         874:25)
 &rst
  ixpk= 874, nxpk= 25, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  105   LYS      QD 104   TRP      HA    7.00   (#         875:25)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1692,1693,
 &end
#
#   96   VAL     QQG  99   GLU      QB    4.50   (#         876:25)
 &rst
  ixpk= 876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1531,1532,1533,1535,1536,1537,
 igr2=1584,1585,
 &end
#
#  104   TRP      QB 105   LYS       H    5.50   (#         877:25)
 &rst
  ixpk= 877, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 104   TRP     HD1    5.50   (#         878:25)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,1666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#  104   TRP      QB 101   LEU      HA    5.50   (#         879:25)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1662,1663,
 &end
#
#   88   VAL      HA  89   PHE      QB    5.50   (#         882:25)
 &rst
  ixpk= 882, nxpk= 25, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#   88   VAL      HA  88   VAL       H    4.50   (#         883:25)
 &rst
  ixpk= 883, nxpk= 25, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL      HA  89   PHE       H    5.50   (#         884:25)
 &rst
  ixpk= 884, nxpk= 25, iat=1397,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL      HA  91   GLU       H    5.50   (#         885:25)
 &rst
  ixpk= 885, nxpk= 25, iat=1397,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  97   GLN       H    5.50   (#         886:25)
 &rst
  ixpk= 886, nxpk= 25, iat=1527,1541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA 100   LEU       H    5.50   (#         887:25)
 &rst
  ixpk= 887, nxpk= 25, iat=1527,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA  99   GLU      QG    5.50   (#         888:25)
 &rst
  ixpk= 888, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1587,1588,
 &end
#
#   96   VAL      HA 100   LEU      QB    5.50   (#         889:25)
 &rst
  ixpk= 889, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#   96   VAL      HA  95   ALA      QB    5.50   (#         890:25)
 &rst
  ixpk= 890, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1519,1520,1521,
 &end
#
#   86   PRO      HA  84   ILE     QG2    5.50   (#         891:25)
 &rst
  ixpk= 891, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1339,1340,1341,
 &end
#
#   86   PRO      HA  86   PRO      QG    4.50   (#         892:25)
 &rst
  ixpk= 892, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1368,1369,
 &end
#
#   86   PRO      HA  89   PHE      QB    7.00   (#         893:25)
 &rst
  ixpk= 893, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1415,1416,
 &end
#
#   86   PRO      HA  90   TYR      QB    5.50   (#         894:25)
 &rst
  ixpk= 894, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1435,1436,
 &end
#
#   86   PRO      HA  86   PRO      QD    5.50   (#         895:25)
 &rst
  ixpk= 895, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   86   PRO      HA  89   PHE       H    5.50   (#         896:25)
 &rst
  ixpk= 896, nxpk= 25, iat=1374,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86   PRO      HA  87   GLN       H    5.50   (#         897:25)
 &rst
  ixpk= 897, nxpk= 25, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL      HA 100   LEU     QQD    7.00   (#         898:25)
 &rst
  ixpk= 898, nxpk= 25, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  101   LEU      HG 101   LEU       H    4.50   (#         899:25)
 &rst
  ixpk= 899, nxpk= 25, iat=1621,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU      HG 101   LEU      HA    4.50   (#         901:25)
 &rst
  ixpk= 901, nxpk= 25, iat=1621,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU      HG 101   LEU     QQD    3.50   (#         902:25)
 &rst
  ixpk= 902, nxpk= 25, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  100   LEU      HG 100   LEU      QB    3.50   (#         903:25)
 &rst
  ixpk= 903, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1599,1600,
 &end
#
#  100   LEU      HG 100   LEU     QQD    3.50   (#         904:25)
 &rst
  ixpk= 904, nxpk= 25, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU      HG 100   LEU       H    5.50   (#         905:25)
 &rst
  ixpk= 905, nxpk= 25, iat=1602,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP      QB  81   PRO      QG    5.50   (#         906:25)
 &rst
  ixpk= 906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1325,1326,
 igr2=1300,1301,
 &end
#
#   99   GLU      QG 100   LEU     QQD    7.00   (#         907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1587,1588,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   84   ILE     QG1  81   PRO      QB    5.50   (#         909:25)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1343,1344,
 igr2=1303,1304,
 &end
#
#   84   ILE      HB  85   ASP      QB    5.50   (#         910:25)
 &rst
  ixpk= 910, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1356,1357,
 &end
#
#  101   LEU      HG 102   ALA       H    5.50   (#         913:25)
 &rst
  ixpk= 913, nxpk= 25, iat=1621,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#         919:25)
 &rst
  ixpk= 919, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#         920:25)
 &rst
  ixpk= 920, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU     QQD    3.50   (#         921:25)
 &rst
  ixpk= 921, nxpk= 25, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU      HG  92   LEU       H    4.50   (#         922:25)
 &rst
  ixpk= 922, nxpk= 25, iat=1474,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER      QB  81   PRO      HA    5.50   (#         926:25)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1314,1315,
 &end
#
#   82   SER      QB  83   ASP      HA    5.50   (#         927:25)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1314,1315,
 &end
#
#   82   SER      QB  84   ILE       H    5.50   (#         929:25)
 &rst
  ixpk= 929, nxpk= 25, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1314,1315,
 &end
#
#   89   PHE      HA  84   ILE      HB    7.00   (#         933:25)
 &rst
  ixpk= 933, nxpk= 25, iat=1413,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   89   PHE      HA  92   LEU      HG    4.50   (#         934:25)
 &rst
  ixpk= 934, nxpk= 25, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  89   PHE      QB    4.50   (#         935:25)
 &rst
  ixpk= 935, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   89   PHE      HA  89   PHE      QB    4.50   (#         936:25)
 &rst
  ixpk= 936, nxpk= 25, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   89   PHE      HA  92   LEU       H    4.50   (#         937:25)
 &rst
  ixpk= 937, nxpk= 25, iat=1413,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  89   PHE       H    4.50   (#         938:25)
 &rst
  ixpk= 938, nxpk= 25, iat=1413,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE      HA  90   TYR       H    5.50   (#         939:25)
 &rst
  ixpk= 939, nxpk= 25, iat=1413,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81   PRO      QG  81   PRO      HA    4.50   (#         941:25)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1300,1301,
 &end
#
#   81   PRO      QB  81   PRO      HA    4.50   (#         942:25)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1303,1304,
 &end
#
#   81   PRO      QB  81   PRO      HA    3.50   (#         943:25)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1303,1304,
 &end
#
#   93   PRO      HA  93   PRO      QB    3.50   (#         944:25)
 &rst
  ixpk= 944, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1493,1494,
 &end
#
#   93   PRO      HA  92   LEU      QB    5.50   (#         945:25)
 &rst
  ixpk= 945, nxpk= 25, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   93   PRO      HA  94   GLU       H    4.50   (#         947:25)
 &rst
  ixpk= 947, nxpk= 25, iat=1496,1500, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93   PRO      QG  92   LEU     QQD    4.50   (#         951:25)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1490,1491,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#  100   LEU      QB  97   GLN      HA    5.50   (#         952:25)
 &rst
  ixpk= 952, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1599,1600,
 &end
#
#   97   GLN      QB  97   GLN      HA    4.50   (#         953:25)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1545,1546,
 &end
#
#   84   ILE     QD1  84   ILE     QG1    3.50   (#         959:25)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1346,1347,1348,
 igr2=1343,1344,
 &end
#
#   85   ASP      QB  85   ASP      HA    5.50   (#         960:25)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1356,1357,
 &end
#
#  106   ARG      QB 107   THR     QG2    5.50   (#         964:25)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1708,1709,
 igr2=1734,1735,1736,
 &end
#
#  106   ARG      QG 106   ARG       H    5.50   (#         965:25)
 &rst
  ixpk= 965, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1711,1712,
 &end
#
#  104   TRP      HA 106   ARG      QG    7.00   (#         966:25)
 &rst
  ixpk= 966, nxpk= 25, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1711,1712,
 &end
#
#  106   ARG      QG 103   GLU      HA    5.50   (#         967:25)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1711,1712,
 &end
#
#  106   ARG      QG 103   GLU      HA    7.00   (#         968:25)
 &rst
  ixpk= 968, nxpk= 25, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1711,1712,
 &end
#
#  106   ARG      HA 103   GLU      HA    5.50   (#         969:25)
 &rst
  ixpk= 969, nxpk= 25, iat=1706,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG      HA 108   GLY      QA    5.50   (#         970:25)
 &rst
  ixpk= 970, nxpk= 25, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1744,1745,
 &end
#
#  107   THR      HA 103   GLU      QB    7.00   (#         971:25)
 &rst
  ixpk= 971, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1647,1648,
 &end
#
#  107   THR      HA 106   ARG      QG    5.50   (#         972:25)
 &rst
  ixpk= 972, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1711,1712,
 &end
#
#  107   THR      HA 103   GLU      HA    7.00   (#         973:25)
 &rst
  ixpk= 973, nxpk= 25, iat=1730,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  107   THR      HA 108   GLY       H    4.50   (#         974:25)
 &rst
  ixpk= 974, nxpk= 25, iat=1730,1742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR      HA 107   THR       H    4.50   (#         975:25)
 &rst
  ixpk= 975, nxpk= 25, iat=1730,1728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR     QG2 106   ARG       H    5.50   (#         976:25)
 &rst
  ixpk= 976, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1734,1735,1736,
 &end
#
#  105   LYS      QE 104   TRP      QB    5.50   (#         977:25)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1695,1696,
 igr2=1662,1663,
 &end
#
#   98   LYS      QE  98   LYS      HA    5.50   (#         978:25)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1571,1572,
 &end
#
#   98   LYS      QE  97   GLN      HA    5.50   (#         980:25)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1571,1572,
 &end
#
#   98   LYS      QE  98   LYS       H    7.00   (#         981:25)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1571,1572,
 &end
#
#  103   GLU      QB 100   LEU     QQD    5.50   (#         982:25)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1647,1648,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  103   GLU      QG 100   LEU     QQD    7.00   (#         983:25)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1650,1651,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  103   GLU      QG 100   LEU      HA    5.50   (#         984:25)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1650,1651,
 &end
#
#  103   GLU      QG 104   TRP      HA    5.50   (#         985:25)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1650,1651,
 &end
#
#  105   LYS      QD 102   ALA      HA    5.50   (#         986:25)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1692,1693,
 &end
#
#  102   ALA      QB 103   GLU      QB    4.50   (#         987:25)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1637,1638,1639,
 igr2=1647,1648,
 &end
#
#  102   ALA      QB 101   LEU      QB    5.50   (#         988:25)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1637,1638,1639,
 igr2=1618,1619,
 &end
#
#  102   ALA      QB  99   GLU      QB    5.50   (#         989:25)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1637,1638,1639,
 igr2=1584,1585,
 &end
#
#  102   ALA      QB 105   LYS       H    7.00   (#         990:25)
 &rst
  ixpk= 990, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1637,1638,1639,
 &end
#
#   91   GLU      QG  88   VAL     QQG    7.00   (#         992:25)
 &rst
  ixpk= 992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1459,1460,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   91   GLU      QG  88   VAL     QQG    7.00   (#         993:25)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1459,1460,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   90   TYR      HA  91   GLU      HA    5.50   (#         994:25)
 &rst
  ixpk= 994, nxpk= 25, iat=1433,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89   PHE      QB  89   PHE      HA    3.50   (#         995:25)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1415,1416,
 &end
#
#   88   VAL      HB  90   TYR      QB    7.00   (#         996:25)
 &rst
  ixpk= 996, nxpk= 25, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1435,1436,
 &end
#
#   87   GLN      HA  88   VAL     QQG    5.50   (#         997:25)
 &rst
  ixpk= 997, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      HA  87   GLN      QG    4.50   (#         998:25)
 &rst
  ixpk= 998, nxpk= 25, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1385,1386,
 &end
#
#   87   GLN      QB  88   VAL     QQG    5.50   (#         999:25)
 &rst
  ixpk= 999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1382,1383,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN      QG  86   PRO      QB    5.50   (#        1000:25)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1385,1386,
 igr2=1371,1372,
 &end
#
#   86   PRO      HA  88   VAL     QQG    7.00   (#        1001:25)
 &rst
  ixpk= 1001, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   86   PRO      HA  90   TYR      QD    5.50   (#        1002:25)
 &rst
  ixpk= 1002, nxpk= 25, iat=1374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1439,1448,
 &end
#
#   86   PRO      QB  86   PRO      QD    4.50   (#        1004:25)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1371,1372,
 igr2=1365,1366,
 &end
#
#   86   PRO      QB  90   TYR       H    5.50   (#        1005:25)
 &rst
  ixpk= 1005, nxpk= 25, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#   86   PRO      QB  90   TYR      QD    5.50   (#        1006:25)
 &rst
  ixpk= 1006, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1371,1372,
 igr2=1439,1448,
 &end
#
#   86   PRO      QB  90   TYR      QB    5.50   (#        1007:25)
 &rst
  ixpk= 1007, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1371,1372,
 igr2=1435,1436,
 &end
#
#   86   PRO      QG  87   GLN       H    5.50   (#        1008:25)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1368,1369,
 &end
#
#   86   PRO      QG  85   ASP      HA    7.00   (#        1009:25)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1368,1369,
 &end
#
#   86   PRO      QG  86   PRO      QD    4.50   (#        1010:25)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  86   PRO      QD    5.50   (#        1011:25)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1368,1369,
 igr2=1365,1366,
 &end
#
#   86   PRO      QG  86   PRO      HA    5.50   (#        1012:25)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1368,1369,
 &end
#
#   81   PRO      QB  84   ILE     QD1    7.00   (#        1013:25)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1303,1304,
 igr2=1346,1347,1348,
 &end
#
#   93   PRO      QG  92   LEU      HA    5.50   (#        1016:25)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  92   LEU      HA    5.50   (#        1017:25)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      HA    5.50   (#        1018:25)
 &rst
  ixpk= 1018, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  93   PRO      HA    5.50   (#        1019:25)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#   93   PRO      QG  96   VAL       H    5.50   (#        1020:25)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1490,1491,
 &end
#
#  100   LEU     QQD  96   VAL      HB    4.50   (#        1023:25)
 &rst
  ixpk= 1023, nxpk= 25, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU     QQD 101   LEU      HG    5.50   (#        1024:25)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1605,1606,1608,1609,1610,
 &end
#
#   81   PRO      HA  82   SER      QB    5.50   (#        1025:25)
 &rst
  ixpk= 1025, nxpk= 25, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1314,1315,
 &end
#
#   82   SER      HA  83   ASP       H    4.50   (#        1026:25)
 &rst
  ixpk= 1026, nxpk= 25, iat=1312,1321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER      HA  82   SER      QB    3.50   (#        1027:25)
 &rst
  ixpk= 1027, nxpk= 25, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1314,1315,
 &end
#
#   96   VAL      HA  99   GLU      HA    7.00   (#        1028:25)
 &rst
  ixpk= 1028, nxpk= 25, iat=1527,1582, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   94   GLU      QB  94   GLU       H    4.50   (#        1029:25)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,1500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1504,1505,
 &end
#
#   94   GLU      QG  98   LYS      QE    5.50   (#        1030:25)
 &rst
  ixpk= 1030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1507,1508,
 igr2=1571,1572,
 &end
#
#   94   GLU      QG  98   LYS      QE    5.50   (#        1031:25)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1507,1508,
 igr2=1571,1572,
 &end
#
#  108   GLY       H 104   TRP      HA    4.50   (#           0:15)
 &rst
  ixpk= 0, nxpk= 15, iat=1742,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP     HE1 104   TRP     HZ2    5.50   (#           1:15)
 &rst
  ixpk= 1, nxpk= 15, iat=1668,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP     HE1 104   TRP     HD1    5.50   (#           2:15)
 &rst
  ixpk= 2, nxpk= 15, iat=1668,1666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  85   ASP      HA    5.50   (#           3:15)
 &rst
  ixpk= 3, nxpk= 15, iat=1352,1354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  83   ASP      HA    7.00   (#           4:15)
 &rst
  ixpk= 4, nxpk= 15, iat=1352,1323, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85   ASP       H  86   PRO      QD    5.50   (#           5:15)
 &rst
  ixpk= 5, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   85   ASP       H  84   ILE      HA    4.50   (#           6:15)
 &rst
  ixpk= 6, nxpk= 15, iat=1352,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85   ASP       H  85   ASP      QB    4.50   (#           7:15)
 &rst
  ixpk= 7, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1356,1357,
 &end
#
#   85   ASP       H  85   ASP      QB    4.50   (#           8:15)
 &rst
  ixpk= 8, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1356,1357,
 &end
#
#   85   ASP       H  84   ILE      HB    5.50   (#           9:15)
 &rst
  ixpk= 9, nxpk= 15, iat=1352,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85   ASP       H  88   VAL     QQG    4.50   (#          10:15)
 &rst
  ixpk= 10, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   85   ASP       H  84   ILE     QG2    4.50   (#          11:15)
 &rst
  ixpk= 11, nxpk= 15, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1339,1340,1341,
 &end
#
#   94   GLU       H  93   PRO      HA    5.50   (#          12:15)
 &rst
  ixpk= 12, nxpk= 15, iat=1500,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU       H  94   GLU      QB    5.50   (#          13:15)
 &rst
  ixpk= 13, nxpk= 15, iat=1500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   94   GLU       H  93   PRO      QG    5.50   (#          14:15)
 &rst
  ixpk= 14, nxpk= 15, iat=1500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#  100   LEU       H 103   GLU       H    7.00   (#          15:15)
 &rst
  ixpk= 15, nxpk= 15, iat=1595,1643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  100   LEU       H  99   GLU       H    4.50   (#          16:15)
 &rst
  ixpk= 16, nxpk= 15, iat=1595,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU       H  89   PHE      QE    5.50   (#          17:15)
 &rst
  ixpk= 17, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1421,1425,
 &end
#
#  100   LEU       H  99   GLU      HA    5.50   (#          18:15)
 &rst
  ixpk= 18, nxpk= 15, iat=1595,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100   LEU       H 100   LEU      HA    4.50   (#          19:15)
 &rst
  ixpk= 19, nxpk= 15, iat=1595,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100   LEU       H  99   GLU      QB    4.50   (#          20:15)
 &rst
  ixpk= 20, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#  100   LEU       H  98   LYS      QB    5.50   (#          21:15)
 &rst
  ixpk= 21, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1562,1563,
 &end
#
#  100   LEU       H 100   LEU      QB    3.50   (#          22:15)
 &rst
  ixpk= 22, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1599,1600,
 &end
#
#  100   LEU       H 101   LEU     QQD    4.50   (#          23:15)
 &rst
  ixpk= 23, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  100   LEU       H 100   LEU     QQD    7.00   (#          24:15)
 &rst
  ixpk= 24, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU       H 100   LEU      QB    5.50   (#          25:15)
 &rst
  ixpk= 25, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#  103   GLU       H 102   ALA      HA    4.50   (#          26:15)
 &rst
  ixpk= 26, nxpk= 15, iat=1643,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU       H 103   GLU      QG    4.50   (#          27:15)
 &rst
  ixpk= 27, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1650,1651,
 &end
#
#  103   GLU       H 106   ARG      QB    4.50   (#          28:15)
 &rst
  ixpk= 28, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1708,1709,
 &end
#
#  103   GLU       H 102   ALA      QB    4.50   (#          29:15)
 &rst
  ixpk= 29, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#  103   GLU       H 104   TRP       H    4.50   (#          30:15)
 &rst
  ixpk= 30, nxpk= 15, iat=1643,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU       H 102   ALA       H    4.50   (#          31:15)
 &rst
  ixpk= 31, nxpk= 15, iat=1643,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103   GLU       H 105   LYS       H    5.50   (#          32:15)
 &rst
  ixpk= 32, nxpk= 15, iat=1643,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 101   LEU      HG    5.50   (#          33:15)
 &rst
  ixpk= 33, nxpk= 15, iat=1643,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 100   LEU     QQD    5.50   (#          34:15)
 &rst
  ixpk= 34, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  103   GLU       H  99   GLU      HA    5.50   (#          35:15)
 &rst
  ixpk= 35, nxpk= 15, iat=1643,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 100   LEU      HA    5.50   (#          36:15)
 &rst
  ixpk= 36, nxpk= 15, iat=1643,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103   GLU       H 104   TRP      QB    5.50   (#          37:15)
 &rst
  ixpk= 37, nxpk= 15, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1662,1663,
 &end
#
#  103   GLU       H 104   TRP      HA    7.00   (#          38:15)
 &rst
  ixpk= 38, nxpk= 15, iat=1643,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  103   GLU       H 101   LEU       H    7.00   (#          39:15)
 &rst
  ixpk= 39, nxpk= 15, iat=1643,1614, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   99   GLU       H  99   GLU      HA    4.50   (#          40:15)
 &rst
  ixpk= 40, nxpk= 15, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU       H  96   VAL      HA    4.50   (#          41:15)
 &rst
  ixpk= 41, nxpk= 15, iat=1580,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU       H  99   GLU      QG    4.50   (#          42:15)
 &rst
  ixpk= 42, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1587,1588,
 &end
#
#   99   GLU       H  99   GLU      QB    4.50   (#          43:15)
 &rst
  ixpk= 43, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   99   GLU       H  98   LYS      QB    4.50   (#          44:15)
 &rst
  ixpk= 44, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1562,1563,
 &end
#
#   99   GLU       H  98   LYS      QG    5.50   (#          45:15)
 &rst
  ixpk= 45, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1565,1566,
 &end
#
#   99   GLU       H 102   ALA      QB    5.50   (#          46:15)
 &rst
  ixpk= 46, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#   99   GLU       H  96   VAL     QQG    5.50   (#          47:15)
 &rst
  ixpk= 47, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   99   GLU       H  98   LYS       H    4.50   (#          48:15)
 &rst
  ixpk= 48, nxpk= 15, iat=1580,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 105   LYS       H    4.50   (#          49:15)
 &rst
  ixpk= 49, nxpk= 15, iat=1658,1682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 103   GLU       H    4.50   (#          50:15)
 &rst
  ixpk= 50, nxpk= 15, iat=1658,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 104   TRP     HD1    4.50   (#          51:15)
 &rst
  ixpk= 51, nxpk= 15, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 104   TRP      HA    5.50   (#          52:15)
 &rst
  ixpk= 52, nxpk= 15, iat=1658,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 105   LYS      HA    5.50   (#          53:15)
 &rst
  ixpk= 53, nxpk= 15, iat=1658,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 103   GLU      HA    5.50   (#          54:15)
 &rst
  ixpk= 54, nxpk= 15, iat=1658,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 101   LEU      HA    5.50   (#          55:15)
 &rst
  ixpk= 55, nxpk= 15, iat=1658,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP       H 104   TRP      QB    4.50   (#          56:15)
 &rst
  ixpk= 56, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1662,1663,
 &end
#
#  104   TRP       H 103   GLU      QG    5.50   (#          57:15)
 &rst
  ixpk= 57, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#  104   TRP       H 103   GLU      QB    4.50   (#          58:15)
 &rst
  ixpk= 58, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1647,1648,
 &end
#
#  104   TRP       H 102   ALA      QB    5.50   (#          59:15)
 &rst
  ixpk= 59, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#   80   PHE       H  80   PHE      QD    4.50   (#          60:15)
 &rst
  ixpk= 60, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1284,1292,
 &end
#
#   80   PHE       H  79   MET      HA    3.50   (#          61:15)
 &rst
  ixpk= 61, nxpk= 15, iat=1276,1261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80   PHE       H  80   PHE      QB    3.50   (#          62:15)
 &rst
  ixpk= 62, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1280,1281,
 &end
#
#   80   PHE       H  81   PRO      QD    5.50   (#          63:15)
 &rst
  ixpk= 63, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1297,1298,
 &end
#
#   80   PHE       H  79   MET      QB    4.50   (#          64:15)
 &rst
  ixpk= 64, nxpk= 15, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1263,1264,
 &end
#
#  106   ARG       H 104   TRP      HA    5.50   (#          65:15)
 &rst
  ixpk= 65, nxpk= 15, iat=1704,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG       H 106   ARG      HA    4.50   (#          66:15)
 &rst
  ixpk= 66, nxpk= 15, iat=1704,1706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG       H 103   GLU      HA    5.50   (#          67:15)
 &rst
  ixpk= 67, nxpk= 15, iat=1704,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106   ARG       H 104   TRP      QB    7.00   (#          68:15)
 &rst
  ixpk= 68, nxpk= 15, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1662,1663,
 &end
#
#  106   ARG       H 106   ARG      QB    3.50   (#          69:15)
 &rst
  ixpk= 69, nxpk= 15, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1708,1709,
 &end
#
#  106   ARG       H 106   ARG      QG    5.50   (#          70:15)
 &rst
  ixpk= 70, nxpk= 15, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1711,1712,
 &end
#
#   92   LEU       H  90   TYR      HA    5.50   (#          71:15)
 &rst
  ixpk= 71, nxpk= 15, iat=1467,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU       H  92   LEU      HA    5.50   (#          72:15)
 &rst
  ixpk= 72, nxpk= 15, iat=1467,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92   LEU       H  92   LEU      HG    4.50   (#          73:15)
 &rst
  ixpk= 73, nxpk= 15, iat=1467,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU       H  92   LEU      QB    5.50   (#          74:15)
 &rst
  ixpk= 74, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   92   LEU       H  92   LEU      QB    5.50   (#          75:15)
 &rst
  ixpk= 75, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#   92   LEU       H  92   LEU     QQD    4.50   (#          76:15)
 &rst
  ixpk= 76, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU       H  92   LEU     QQD    5.50   (#          77:15)
 &rst
  ixpk= 77, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   92   LEU       H  91   GLU       H    4.50   (#          78:15)
 &rst
  ixpk= 78, nxpk= 15, iat=1467,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE       H  89   PHE      QD    4.50   (#          79:15)
 &rst
  ixpk= 79, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1419,1427,
 &end
#
#   89   PHE       H  88   VAL      HA    4.50   (#          80:15)
 &rst
  ixpk= 80, nxpk= 15, iat=1411,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89   PHE       H  90   TYR      QB    4.50   (#          81:15)
 &rst
  ixpk= 81, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   89   PHE       H  89   PHE      QB    4.50   (#          82:15)
 &rst
  ixpk= 82, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   89   PHE       H  88   VAL      HB    4.50   (#          83:15)
 &rst
  ixpk= 83, nxpk= 15, iat=1411,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA       H  98   LYS      QG    5.50   (#          84:15)
 &rst
  ixpk= 84, nxpk= 15, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1565,1566,
 &end
#
#   89   PHE       H  88   VAL     QQG    4.50   (#          85:15)
 &rst
  ixpk= 85, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   89   PHE       H  90   TYR       H    5.50   (#          86:15)
 &rst
  ixpk= 86, nxpk= 15, iat=1411,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95   ALA       H  96   VAL       H    5.50   (#          87:15)
 &rst
  ixpk= 87, nxpk= 15, iat=1515,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95   ALA       H  95   ALA      HA    4.50   (#          89:15)
 &rst
  ixpk= 89, nxpk= 15, iat=1515,1517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95   ALA       H  94   GLU      QB    5.50   (#          90:15)
 &rst
  ixpk= 90, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   95   ALA       H  94   GLU      QB    5.50   (#          91:15)
 &rst
  ixpk= 91, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1504,1505,
 &end
#
#   95   ALA       H  93   PRO      QB    4.50   (#          92:15)
 &rst
  ixpk= 92, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1493,1494,
 &end
#
#   95   ALA       H  95   ALA      QB    4.50   (#          93:15)
 &rst
  ixpk= 93, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1519,1520,1521,
 &end
#
#   95   ALA       H  96   VAL     QQG    7.00   (#          94:15)
 &rst
  ixpk= 94, nxpk= 15, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   84   ILE       H  83   ASP      HA    4.50   (#          95:15)
 &rst
  ixpk= 95, nxpk= 15, iat=1333,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  84   ILE      HA    4.50   (#          96:15)
 &rst
  ixpk= 96, nxpk= 15, iat=1333,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  83   ASP      QB    5.50   (#          97:15)
 &rst
  ixpk= 97, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   84   ILE       H  83   ASP      QB    5.50   (#          98:15)
 &rst
  ixpk= 98, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   84   ILE       H  84   ILE      HB    4.50   (#          99:15)
 &rst
  ixpk= 99, nxpk= 15, iat=1333,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  81   PRO      QB    5.50   (#         100:15)
 &rst
  ixpk= 100, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   84   ILE       H  84   ILE     QG1    4.50   (#         101:15)
 &rst
  ixpk= 101, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1343,1344,
 &end
#
#   84   ILE       H  81   PRO      QG    4.50   (#         102:15)
 &rst
  ixpk= 102, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1300,1301,
 &end
#
#   84   ILE       H  84   ILE     QG2    4.50   (#         103:15)
 &rst
  ixpk= 103, nxpk= 15, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1339,1340,1341,
 &end
#
#   84   ILE       H  85   ASP       H    5.50   (#         104:15)
 &rst
  ixpk= 104, nxpk= 15, iat=1333,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84   ILE       H  83   ASP       H    4.50   (#         105:15)
 &rst
  ixpk= 105, nxpk= 15, iat=1333,1321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  92   LEU       H    4.50   (#         106:15)
 &rst
  ixpk= 106, nxpk= 15, iat=1452,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  90   TYR      HA    5.50   (#         107:15)
 &rst
  ixpk= 107, nxpk= 15, iat=1452,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU       H  91   GLU      HA    4.50   (#         108:15)
 &rst
  ixpk= 108, nxpk= 15, iat=1452,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  88   VAL      HA    5.50   (#         109:15)
 &rst
  ixpk= 109, nxpk= 15, iat=1452,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91   GLU       H  91   GLU      QG    4.50   (#         110:15)
 &rst
  ixpk= 110, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   91   GLU       H  87   GLN      QB    5.50   (#         111:15)
 &rst
  ixpk= 111, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1382,1383,
 &end
#
#   91   GLU       H  91   GLU      QB    4.50   (#         112:15)
 &rst
  ixpk= 112, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1456,1457,
 &end
#
#   91   GLU       H  88   VAL     QQG    5.50   (#         113:15)
 &rst
  ixpk= 113, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL       H  87   GLN      HA    5.50   (#         114:15)
 &rst
  ixpk= 114, nxpk= 15, iat=1395,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL       H  88   VAL      HA    4.50   (#         115:15)
 &rst
  ixpk= 115, nxpk= 15, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL       H  89   PHE      QB    4.50   (#         116:15)
 &rst
  ixpk= 116, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1415,1416,
 &end
#
#   88   VAL       H  87   GLN      QG    5.50   (#         117:15)
 &rst
  ixpk= 117, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1385,1386,
 &end
#
#   88   VAL       H  87   GLN      QB    4.50   (#         118:15)
 &rst
  ixpk= 118, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1382,1383,
 &end
#
#   88   VAL       H  88   VAL     QQG    4.50   (#         119:15)
 &rst
  ixpk= 119, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   88   VAL       H  87   GLN       H    4.50   (#         120:15)
 &rst
  ixpk= 120, nxpk= 15, iat=1395,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER       H  81   PRO      QG    5.50   (#         121:15)
 &rst
  ixpk= 121, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1300,1301,
 &end
#
#   82   SER       H  81   PRO      QB    5.50   (#         122:15)
 &rst
  ixpk= 122, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   82   SER       H  81   PRO      QB    5.50   (#         123:15)
 &rst
  ixpk= 123, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   82   SER       H  82   SER      QB    4.50   (#         124:15)
 &rst
  ixpk= 124, nxpk= 15, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1314,1315,
 &end
#
#   82   SER       H  82   SER      HA    4.50   (#         125:15)
 &rst
  ixpk= 125, nxpk= 15, iat=1310,1312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82   SER       H  81   PRO      HA    4.50   (#         126:15)
 &rst
  ixpk= 126, nxpk= 15, iat=1310,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP       H  84   ILE     QG2    7.00   (#         127:15)
 &rst
  ixpk= 127, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1339,1340,1341,
 &end
#
#   83   ASP       H  81   PRO      QG    7.00   (#         128:15)
 &rst
  ixpk= 128, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1300,1301,
 &end
#
#   83   ASP       H  84   ILE     QG1    5.50   (#         129:15)
 &rst
  ixpk= 129, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1343,1344,
 &end
#
#  104   TRP     HE1 104   TRP     HH2    5.50   (#         130:15)
 &rst
  ixpk= 130, nxpk= 15, iat=1668,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP       H  81   PRO      QB    5.50   (#         131:15)
 &rst
  ixpk= 131, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   83   ASP       H  83   ASP      QB    4.50   (#         132:15)
 &rst
  ixpk= 132, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1325,1326,
 &end
#
#   83   ASP       H  83   ASP      QB    5.50   (#         133:15)
 &rst
  ixpk= 133, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1325,1326,
 &end
#
#   83   ASP       H  82   SER      QB    4.50   (#         134:15)
 &rst
  ixpk= 134, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1314,1315,
 &end
#
#   83   ASP       H  82   SER      HA    4.50   (#         135:15)
 &rst
  ixpk= 135, nxpk= 15, iat=1321,1312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP       H  81   PRO      HA    5.50   (#         136:15)
 &rst
  ixpk= 136, nxpk= 15, iat=1321,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83   ASP       H  83   ASP      HA    4.50   (#         137:15)
 &rst
  ixpk= 137, nxpk= 15, iat=1321,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83   ASP       H  84   ILE       H    4.50   (#         138:15)
 &rst
  ixpk= 138, nxpk= 15, iat=1321,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84   ILE       H  81   PRO      HA    7.00   (#         139:15)
 &rst
  ixpk= 139, nxpk= 15, iat=1333,1306, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85   ASP       H  84   ILE       H    5.50   (#         142:15)
 &rst
  ixpk= 142, nxpk= 15, iat=1352,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87   GLN       H  88   VAL     QQG    4.50   (#         143:15)
 &rst
  ixpk= 143, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN       H  86   PRO      QG    5.50   (#         144:15)
 &rst
  ixpk= 144, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1368,1369,
 &end
#
#   87   GLN       H  86   PRO      QB    4.50   (#         145:15)
 &rst
  ixpk= 145, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#   87   GLN       H  87   GLN      QB    3.50   (#         146:15)
 &rst
  ixpk= 146, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1382,1383,
 &end
#
#   87   GLN       H  87   GLN      QG    5.50   (#         147:15)
 &rst
  ixpk= 147, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1385,1386,
 &end
#
#   87   GLN       H  87   GLN      QG    5.50   (#         148:15)
 &rst
  ixpk= 148, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1385,1386,
 &end
#
#   87   GLN       H  86   PRO      HA    5.50   (#         149:15)
 &rst
  ixpk= 149, nxpk= 15, iat=1378,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87   GLN       H  86   PRO      QD    5.50   (#         150:15)
 &rst
  ixpk= 150, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   87   GLN       H  87   GLN      HA    4.50   (#         151:15)
 &rst
  ixpk= 151, nxpk= 15, iat=1378,1380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN       H  86   PRO      QD    5.50   (#         152:15)
 &rst
  ixpk= 152, nxpk= 15, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1365,1366,
 &end
#
#   87   GLN       H  88   VAL       H    4.50   (#         153:15)
 &rst
  ixpk= 153, nxpk= 15, iat=1378,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87   GLN       H  89   PHE       H    5.50   (#         154:15)
 &rst
  ixpk= 154, nxpk= 15, iat=1378,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88   VAL       H  89   PHE      QB    5.50   (#         155:15)
 &rst
  ixpk= 155, nxpk= 15, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#   88   VAL       H  89   PHE       H    4.50   (#         156:15)
 &rst
  ixpk= 156, nxpk= 15, iat=1395,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88   VAL       H  90   TYR       H    5.50   (#         157:15)
 &rst
  ixpk= 157, nxpk= 15, iat=1395,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89   PHE       H  84   ILE     QD1    7.00   (#         158:15)
 &rst
  ixpk= 158, nxpk= 15, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1346,1347,1348,
 &end
#
#  102   ALA       H 101   LEU     QQD    5.50   (#         159:15)
 &rst
  ixpk= 159, nxpk= 15, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  104   TRP       H 101   LEU      QB    5.50   (#         160:15)
 &rst
  ixpk= 160, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1618,1619,
 &end
#
#  104   TRP       H 103   GLU      QB    4.50   (#         161:15)
 &rst
  ixpk= 161, nxpk= 15, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1647,1648,
 &end
#
#   89   PHE       H  88   VAL       H    4.50   (#         162:15)
 &rst
  ixpk= 162, nxpk= 15, iat=1411,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 103   GLU       H    4.50   (#         163:15)
 &rst
  ixpk= 163, nxpk= 15, iat=1658,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 101   LEU       H    4.50   (#         164:15)
 &rst
  ixpk= 164, nxpk= 15, iat=1658,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR       H  88   VAL     QQG    5.50   (#         166:15)
 &rst
  ixpk= 166, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   90   TYR       H  86   PRO      QB    5.50   (#         167:15)
 &rst
  ixpk= 167, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#   90   TYR       H  87   GLN      QB    5.50   (#         168:15)
 &rst
  ixpk= 168, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1382,1383,
 &end
#
#   90   TYR       H  89   PHE      QB    5.50   (#         169:15)
 &rst
  ixpk= 169, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#   90   TYR       H  90   TYR      QB    4.50   (#         170:15)
 &rst
  ixpk= 170, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR       H  90   TYR      QB    4.50   (#         171:15)
 &rst
  ixpk= 171, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1435,1436,
 &end
#
#   90   TYR       H  88   VAL      HA    4.50   (#         172:15)
 &rst
  ixpk= 172, nxpk= 15, iat=1431,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR       H  91   GLU      HA    5.50   (#         173:15)
 &rst
  ixpk= 173, nxpk= 15, iat=1431,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR       H  90   TYR      HA    4.50   (#         174:15)
 &rst
  ixpk= 174, nxpk= 15, iat=1431,1433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90   TYR       H  89   PHE      QD    4.50   (#         175:15)
 &rst
  ixpk= 175, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1419,1427,
 &end
#
#   90   TYR       H  90   TYR      QE    7.00   (#         176:15)
 &rst
  ixpk= 176, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1441,1446,
 &end
#
#   90   TYR       H  92   LEU       H    5.50   (#         177:15)
 &rst
  ixpk= 177, nxpk= 15, iat=1431,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90   TYR       H  90   TYR      QD    4.50   (#         178:15)
 &rst
  ixpk= 178, nxpk= 15, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1439,1448,
 &end
#
#   90   TYR       H  89   PHE       H    4.50   (#         179:15)
 &rst
  ixpk= 179, nxpk= 15, iat=1431,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  92   LEU     QQD    7.00   (#         180:15)
 &rst
  ixpk= 180, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1476,1477,1478,1480,1481,1482,
 &end
#
#   91   GLU       H  91   GLU      QG    4.50   (#         181:15)
 &rst
  ixpk= 181, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1459,1460,
 &end
#
#   91   GLU       H  90   TYR      QB    5.50   (#         182:15)
 &rst
  ixpk= 182, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1435,1436,
 &end
#
#   91   GLU       H  90   TYR       H    4.50   (#         183:15)
 &rst
  ixpk= 183, nxpk= 15, iat=1452,1431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92   LEU       H  97   GLN     QE2    5.50   (#         184:15)
 &rst
  ixpk= 184, nxpk= 15, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1553,1554,
 &end
#
#   92   LEU       H  90   TYR       H    5.50   (#         185:15)
 &rst
  ixpk= 185, nxpk= 15, iat=1467,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94   GLU       H  93   PRO      QB    7.00   (#         186:15)
 &rst
  ixpk= 186, nxpk= 15, iat=1500,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1493,1494,
 &end
#
#   94   GLU       H  94   GLU      HA    7.00   (#         187:15)
 &rst
  ixpk= 187, nxpk= 15, iat=1500,1502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95   ALA       H  94   GLU      HA    7.00   (#         188:15)
 &rst
  ixpk= 188, nxpk= 15, iat=1515,1502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   96   VAL       H 100   LEU     QQD    7.00   (#         189:15)
 &rst
  ixpk= 189, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#   96   VAL       H  96   VAL     QQG    4.50   (#         190:15)
 &rst
  ixpk= 190, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   96   VAL       H  95   ALA      QB    4.50   (#         191:15)
 &rst
  ixpk= 191, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1519,1520,1521,
 &end
#
#   96   VAL       H  96   VAL      HB    4.50   (#         192:15)
 &rst
  ixpk= 192, nxpk= 15, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL       H  99   GLU      QB    5.50   (#         193:15)
 &rst
  ixpk= 193, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1584,1585,
 &end
#
#   96   VAL       H  93   PRO      QB    5.50   (#         194:15)
 &rst
  ixpk= 194, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1493,1494,
 &end
#
#   96   VAL       H  93   PRO      QD    5.50   (#         195:15)
 &rst
  ixpk= 195, nxpk= 15, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   96   VAL       H  96   VAL      HA    5.50   (#         196:15)
 &rst
  ixpk= 196, nxpk= 15, iat=1525,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL       H  95   ALA      HA    5.50   (#         197:15)
 &rst
  ixpk= 197, nxpk= 15, iat=1525,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL       H  97   GLN       H    4.50   (#         198:15)
 &rst
  ixpk= 198, nxpk= 15, iat=1525,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96   VAL       H  98   LYS       H    5.50   (#         199:15)
 &rst
  ixpk= 199, nxpk= 15, iat=1525,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96   VAL       H  95   ALA       H    5.50   (#         200:15)
 &rst
  ixpk= 200, nxpk= 15, iat=1525,1515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97   GLN       H  97   GLN      QG    4.50   (#         201:15)
 &rst
  ixpk= 201, nxpk= 15, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1548,1549,
 &end
#
#   97   GLN       H  96   VAL     QQG    4.50   (#         202:15)
 &rst
  ixpk= 202, nxpk= 15, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   97   GLN       H 100   LEU      QB    5.50   (#         203:15)
 &rst
  ixpk= 203, nxpk= 15, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#  105   LYS       H 105   LYS      QD    4.50   (#         204:15)
 &rst
  ixpk= 204, nxpk= 15, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1692,1693,
 &end
#
#  105   LYS       H 105   LYS      QB    3.50   (#         205:15)
 &rst
  ixpk= 205, nxpk= 15, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#  105   LYS       H 104   TRP      QB    4.50   (#         206:15)
 &rst
  ixpk= 206, nxpk= 15, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1662,1663,
 &end
#
#   97   GLN       H  97   GLN      HA    4.50   (#         207:15)
 &rst
  ixpk= 207, nxpk= 15, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN       H  94   GLU      HA    5.50   (#         208:15)
 &rst
  ixpk= 208, nxpk= 15, iat=1541,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97   GLN       H  98   LYS      HA    5.50   (#         209:15)
 &rst
  ixpk= 209, nxpk= 15, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS       H 102   ALA      HA    5.50   (#         210:15)
 &rst
  ixpk= 210, nxpk= 15, iat=1682,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS       H 105   LYS      HA    4.50   (#         211:15)
 &rst
  ixpk= 211, nxpk= 15, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97   GLN       H  96   VAL       H    4.50   (#         212:15)
 &rst
  ixpk= 212, nxpk= 15, iat=1541,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105   LYS       H 104   TRP     HD1    7.00   (#         213:15)
 &rst
  ixpk= 213, nxpk= 15, iat=1682,1666, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   97   GLN       H  99   GLU       H    5.50   (#         214:15)
 &rst
  ixpk= 214, nxpk= 15, iat=1541,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105   LYS       H 104   TRP       H    4.50   (#         215:15)
 &rst
  ixpk= 215, nxpk= 15, iat=1682,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS       H  96   VAL     QQG    5.50   (#         216:15)
 &rst
  ixpk= 216, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1531,1532,1533,1535,1536,1537,
 &end
#
#   98   LYS       H  98   LYS      QG    4.50   (#         217:15)
 &rst
  ixpk= 217, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1565,1566,
 &end
#
#   98   LYS       H  98   LYS      QD    4.50   (#         218:15)
 &rst
  ixpk= 218, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1568,1569,
 &end
#
#   98   LYS       H  98   LYS      QB    3.50   (#         219:15)
 &rst
  ixpk= 219, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1562,1563,
 &end
#
#   98   LYS       H  97   GLN      QB    4.50   (#         220:15)
 &rst
  ixpk= 220, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1545,1546,
 &end
#
#   98   LYS       H  97   GLN      HA    5.50   (#         221:15)
 &rst
  ixpk= 221, nxpk= 15, iat=1558,1543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  94   GLU      HA    5.50   (#         222:15)
 &rst
  ixpk= 222, nxpk= 15, iat=1558,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  98   LYS      HA    4.50   (#         223:15)
 &rst
  ixpk= 223, nxpk= 15, iat=1558,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS       H  95   ALA      HA    5.50   (#         224:15)
 &rst
  ixpk= 224, nxpk= 15, iat=1558,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  96   VAL       H    5.50   (#         225:15)
 &rst
  ixpk= 225, nxpk= 15, iat=1558,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98   LYS       H  89   PHE      QE    5.50   (#         226:15)
 &rst
  ixpk= 226, nxpk= 15, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1421,1425,
 &end
#
#   98   LYS       H  99   GLU       H    4.50   (#         227:15)
 &rst
  ixpk= 227, nxpk= 15, iat=1558,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98   LYS       H  97   GLN       H    4.50   (#         228:15)
 &rst
  ixpk= 228, nxpk= 15, iat=1558,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99   GLU       H 100   LEU     QQD    5.50   (#         229:15)
 &rst
  ixpk= 229, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  100   LEU       H  96   VAL      HA    7.00   (#         230:15)
 &rst
  ixpk= 230, nxpk= 15, iat=1595,1527, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  101   LEU       H 100   LEU      QB    5.50   (#         231:15)
 &rst
  ixpk= 231, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1599,1600,
 &end
#
#  101   LEU       H 100   LEU     QQD    7.00   (#         232:15)
 &rst
  ixpk= 232, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  101   LEU       H 101   LEU      HG    4.50   (#         233:15)
 &rst
  ixpk= 233, nxpk= 15, iat=1614,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU       H 102   ALA      QB    4.50   (#         234:15)
 &rst
  ixpk= 234, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#  101   LEU       H 101   LEU      QB    4.50   (#         235:15)
 &rst
  ixpk= 235, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#  101   LEU       H 103   GLU      QB    5.50   (#         236:15)
 &rst
  ixpk= 236, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1647,1648,
 &end
#
#  101   LEU       H 100   LEU      HA    5.50   (#         237:15)
 &rst
  ixpk= 237, nxpk= 15, iat=1614,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101   LEU       H 101   LEU      HA    4.50   (#         238:15)
 &rst
  ixpk= 238, nxpk= 15, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101   LEU       H  89   PHE      QE    4.50   (#         239:15)
 &rst
  ixpk= 239, nxpk= 15, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1421,1425,
 &end
#
#  101   LEU       H 102   ALA       H    4.50   (#         240:15)
 &rst
  ixpk= 240, nxpk= 15, iat=1614,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA       H 102   ALA      QB    3.50   (#         241:15)
 &rst
  ixpk= 241, nxpk= 15, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1637,1638,1639,
 &end
#
#  102   ALA       H 101   LEU      HA    4.50   (#         242:15)
 &rst
  ixpk= 242, nxpk= 15, iat=1633,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102   ALA       H 102   ALA      HA    4.50   (#         243:15)
 &rst
  ixpk= 243, nxpk= 15, iat=1633,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP       H 102   ALA       H    5.50   (#         244:15)
 &rst
  ixpk= 244, nxpk= 15, iat=1658,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97   GLN       H  98   LYS       H    4.50   (#         245:15)
 &rst
  ixpk= 245, nxpk= 15, iat=1541,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106   ARG       H 107   THR       H    5.50   (#         246:15)
 &rst
  ixpk= 246, nxpk= 15, iat=1704,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107   THR       H 107   THR     QG2    5.50   (#         247:15)
 &rst
  ixpk= 247, nxpk= 15, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#  107   THR       H 106   ARG      QB    5.50   (#         248:15)
 &rst
  ixpk= 248, nxpk= 15, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1708,1709,
 &end
#
#  107   THR       H 107   THR      HB    4.50   (#         249:15)
 &rst
  ixpk= 249, nxpk= 15, iat=1728,1732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR       H 104   TRP      HA    4.50   (#         250:15)
 &rst
  ixpk= 250, nxpk= 15, iat=1728,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR       H 106   ARG       H    4.50   (#         251:15)
 &rst
  ixpk= 251, nxpk= 15, iat=1728,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107   THR       H 108   GLY       H    5.50   (#         252:15)
 &rst
  ixpk= 252, nxpk= 15, iat=1728,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108   GLY       H 107   THR     QG2    5.50   (#         253:15)
 &rst
  ixpk= 253, nxpk= 15, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#  108   GLY       H 106   ARG      QB    5.50   (#         254:15)
 &rst
  ixpk= 254, nxpk= 15, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1708,1709,
 &end
#
#  108   GLY       H 108   GLY      QA    3.50   (#         255:15)
 &rst
  ixpk= 255, nxpk= 15, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1744,1745,
 &end
#
#  108   GLY       H 107   THR      HA    4.50   (#         256:15)
 &rst
  ixpk= 256, nxpk= 15, iat=1742,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104   TRP     HE1 100   LEU     QQD    5.50   (#         257:15)
 &rst
  ixpk= 257, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1604,1605,1606,1608,1609,1610,
 &end
#
#  104   TRP     HE1 100   LEU      HG    5.50   (#         258:15)
 &rst
  ixpk= 258, nxpk= 15, iat=1668,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104   TRP     HE1 101   LEU     QQD    7.00   (#         259:15)
 &rst
  ixpk= 259, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1623,1624,1625,1627,1628,1629,
 &end
#
#  104   TRP     HE1 103   GLU      QB    7.00   (#         260:15)
 &rst
  ixpk= 260, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1647,1648,
 &end
#
#  104   TRP     HE1 104   TRP      QB    5.50   (#         261:15)
 &rst
  ixpk= 261, nxpk= 15, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1662,1663,
 &end
#
#  104   TRP     HE1 104   TRP      HA    5.50   (#         262:15)
 &rst
  ixpk= 262, nxpk= 15, iat=1668,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87   GLN     QE2  88   VAL     QQG    5.50   (#         263:15)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1390,1391,
 igr2=1401,1402,1403,1405,1406,1407,
 &end
#
#   87   GLN     QE2  87   GLN      QB    5.50   (#         264:15)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1390,1391,
 igr2=1382,1383,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         265:15)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         266:15)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         268:15)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   87   GLN     QE2  87   GLN      QG    3.50   (#         269:15)
 &rst
  ixpk= 269, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1385,1386,
 &end
#
#   83   ASP       H  81   PRO      QB    5.50   (#         271:15)
 &rst
  ixpk= 271, nxpk= 15, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1303,1304,
 &end
#
#   90   TYR       H  91   GLU       H    4.50   (#         272:15)
 &rst
  ixpk= 272, nxpk= 15, iat=1431,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91   GLU       H  92   LEU      QB    5.50   (#         273:15)
 &rst
  ixpk= 273, nxpk= 15, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
#  100   LEU       H  99   GLU      QB    4.50   (#         274:15)
 &rst
  ixpk= 274, nxpk= 15, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   99   GLU       H  99   GLU      QB    4.50   (#         275:15)
 &rst
  ixpk= 275, nxpk= 15, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1584,1585,
 &end
#
#   97   GLN     QE2  96   VAL      HB    5.50   (#         276:15)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  97   GLN      QG    4.50   (#         277:15)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  97   GLN      QG    4.50   (#         278:15)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  94   GLU      HA    5.50   (#         279:15)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  90   TYR      HA    5.50   (#         280:15)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  97   GLN      QG    4.50   (#         281:15)
 &rst
  ixpk= 281, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  92   LEU      QB    5.50   (#         282:15)
 &rst
  ixpk= 282, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1553,1554,
 igr2=1471,1472,
 &end
#
#   97   GLN     QE2  97   GLN      QG    5.50   (#         283:15)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   97   GLN     QE2  96   VAL      HB    5.50   (#         284:15)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  94   GLU      HA    5.50   (#         285:15)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
#   97   GLN     QE2  90   TYR      HA    5.50   (#         286:15)
 &rst
  ixpk= 286, nxpk= 15, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end



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